USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 715 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 27 SER OG : rot -120:sc= 0.581 USER MOD Set 1.2: A 32 ASN :FLIP amide:sc= 0.183 F(o=-0.15,f=0.76) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -114:sc= 2.9 (180deg=-1.45) USER MOD Set 2.2: A 28 SER OG : rot 104:sc= 1.32 USER MOD Single : A 1 ALA N :NH3+ -164:sc= -2.74! (180deg=-2.82!) USER MOD Single : A 5 THR OG1 : rot 24:sc= 0.355 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= -3.34! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -5.15! C(o=-5.1!,f=-10!) USER MOD Single : A 20 ASN :FLIP amide:sc= 0.514 F(o=0,f=0.51) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.18) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.132 (180deg=-0.582) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 149:sc= -3.47! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -14:sc= 0.777 USER MOD Single : A 59 MET CE :methyl 166:sc= -0.185 (180deg=-0.407) USER MOD Single : A 62 ASN : amide:sc=-0.00739 X(o=-0.0074,f=-0.33) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.0833 (180deg=-0.43) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= 1.04 F(o=-0.3,f=1) USER MOD Single : A 90 GLN : amide:sc= -0.493 K(o=-0.49,f=-4.1!) USER MOD Single : A 91 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 94 TYR OH : rot -95:sc= -1.15 USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0203) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.16) USER MOD Single : A 105 LYS NZ :NH3+ 168:sc= 0.523 (180deg=0.397) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.023 -3.447 3.652 1.00 0.00 N ATOM 2 CA ALA A 1 7.094 -3.894 5.061 1.00 0.00 C ATOM 3 C ALA A 1 6.365 -5.206 5.221 1.00 0.00 C ATOM 4 O ALA A 1 5.237 -5.313 4.789 1.00 0.00 O ATOM 5 CB ALA A 1 6.485 -2.842 5.977 1.00 0.00 C ATOM 0 H1 ALA A 1 7.735 -2.708 3.486 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.208 -4.254 3.022 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.076 -3.065 3.456 1.00 0.00 H new ATOM 0 HA ALA A 1 8.140 -4.033 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.543 -3.182 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.034 -1.906 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.441 -2.683 5.705 1.00 0.00 H new ATOM 13 N PHE A 2 7.018 -6.230 5.768 1.00 0.00 N ATOM 14 CA PHE A 2 6.368 -7.512 5.943 1.00 0.00 C ATOM 15 C PHE A 2 6.976 -8.258 7.113 1.00 0.00 C ATOM 16 O PHE A 2 8.198 -8.381 7.213 1.00 0.00 O ATOM 17 CB PHE A 2 6.433 -8.386 4.684 1.00 0.00 C ATOM 18 CG PHE A 2 6.497 -7.635 3.381 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.676 -7.034 2.964 1.00 0.00 C ATOM 20 CD2 PHE A 2 5.375 -7.530 2.576 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.732 -6.343 1.770 1.00 0.00 C ATOM 22 CE2 PHE A 2 5.426 -6.841 1.380 1.00 0.00 C ATOM 23 CZ PHE A 2 6.605 -6.245 0.978 1.00 0.00 C ATOM 0 H PHE A 2 7.985 -6.191 6.092 1.00 0.00 H new ATOM 0 HA PHE A 2 5.317 -7.304 6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 2 7.308 -9.032 4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.558 -9.036 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.560 -7.108 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.450 -7.992 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.656 -5.880 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.545 -6.768 0.760 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.646 -5.703 0.045 1.00 0.00 H new ATOM 32 N ASP A 3 6.105 -8.601 8.058 1.00 0.00 N ATOM 33 CA ASP A 3 6.481 -9.187 9.342 1.00 0.00 C ATOM 34 C ASP A 3 7.557 -8.335 10.003 1.00 0.00 C ATOM 35 O ASP A 3 8.483 -8.831 10.646 1.00 0.00 O ATOM 36 CB ASP A 3 6.943 -10.638 9.176 1.00 0.00 C ATOM 37 CG ASP A 3 7.082 -11.354 10.505 1.00 0.00 C ATOM 38 OD1 ASP A 3 6.117 -11.342 11.300 1.00 0.00 O ATOM 39 OD2 ASP A 3 8.152 -11.947 10.754 1.00 0.00 O ATOM 0 H ASP A 3 5.098 -8.477 7.951 1.00 0.00 H new ATOM 0 HA ASP A 3 5.604 -9.202 9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.230 -11.174 8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.900 -10.655 8.655 1.00 0.00 H new ATOM 43 N GLY A 4 7.489 -7.051 9.705 1.00 0.00 N ATOM 44 CA GLY A 4 8.501 -6.126 10.136 1.00 0.00 C ATOM 45 C GLY A 4 8.061 -4.704 9.908 1.00 0.00 C ATOM 46 O GLY A 4 7.139 -4.456 9.124 1.00 0.00 O ATOM 0 H GLY A 4 6.735 -6.630 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.713 -6.280 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.427 -6.316 9.594 1.00 0.00 H new ATOM 50 N THR A 5 8.787 -3.772 10.485 1.00 0.00 N ATOM 51 CA THR A 5 8.535 -2.369 10.251 1.00 0.00 C ATOM 52 C THR A 5 9.551 -1.843 9.245 1.00 0.00 C ATOM 53 O THR A 5 10.757 -2.017 9.414 1.00 0.00 O ATOM 54 CB THR A 5 8.638 -1.560 11.561 1.00 0.00 C ATOM 55 OG1 THR A 5 9.953 -1.680 12.121 1.00 0.00 O ATOM 56 CG2 THR A 5 7.624 -2.045 12.581 1.00 0.00 C ATOM 0 H THR A 5 9.560 -3.963 11.123 1.00 0.00 H new ATOM 0 HA THR A 5 7.524 -2.256 9.861 1.00 0.00 H new ATOM 0 HB THR A 5 8.433 -0.517 11.321 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.591 -1.906 11.412 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.718 -1.458 13.495 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.618 -1.930 12.177 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.807 -3.096 12.804 1.00 0.00 H new ATOM 64 N TRP A 6 9.062 -1.282 8.156 1.00 0.00 N ATOM 65 CA TRP A 6 9.935 -0.756 7.113 1.00 0.00 C ATOM 66 C TRP A 6 9.512 0.673 6.808 1.00 0.00 C ATOM 67 O TRP A 6 8.492 0.885 6.154 1.00 0.00 O ATOM 68 CB TRP A 6 9.845 -1.568 5.805 1.00 0.00 C ATOM 69 CG TRP A 6 10.001 -3.071 5.894 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.595 -3.915 6.896 1.00 0.00 C ATOM 71 CD2 TRP A 6 10.542 -3.912 4.869 1.00 0.00 C ATOM 72 NE1 TRP A 6 9.830 -5.225 6.538 1.00 0.00 N ATOM 73 CE2 TRP A 6 10.439 -5.244 5.313 1.00 0.00 C ATOM 74 CE3 TRP A 6 11.113 -3.663 3.622 1.00 0.00 C ATOM 75 CZ2 TRP A 6 10.879 -6.321 4.546 1.00 0.00 C ATOM 76 CZ3 TRP A 6 11.552 -4.729 2.866 1.00 0.00 C ATOM 77 CH2 TRP A 6 11.436 -6.044 3.329 1.00 0.00 C ATOM 0 H TRP A 6 8.065 -1.177 7.966 1.00 0.00 H new ATOM 0 HA TRP A 6 10.960 -0.813 7.479 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.878 -1.358 5.347 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.609 -1.192 5.124 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.155 -3.599 7.830 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.590 -6.045 7.095 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.210 -2.652 3.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 10.783 -7.337 4.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.994 -4.545 1.898 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.793 -6.856 2.713 1.00 0.00 H new ATOM 87 N LYS A 7 10.271 1.651 7.286 1.00 0.00 N ATOM 88 CA LYS A 7 9.917 3.045 7.081 1.00 0.00 C ATOM 89 C LYS A 7 11.079 3.971 7.422 1.00 0.00 C ATOM 90 O LYS A 7 12.099 3.541 7.962 1.00 0.00 O ATOM 91 CB LYS A 7 8.681 3.411 7.906 1.00 0.00 C ATOM 92 CG LYS A 7 7.774 4.436 7.237 1.00 0.00 C ATOM 93 CD LYS A 7 7.217 3.922 5.920 1.00 0.00 C ATOM 94 CE LYS A 7 6.130 4.837 5.372 1.00 0.00 C ATOM 95 NZ LYS A 7 4.886 4.795 6.189 1.00 0.00 N ATOM 0 H LYS A 7 11.130 1.504 7.815 1.00 0.00 H new ATOM 0 HA LYS A 7 9.685 3.177 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.107 2.506 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.003 3.801 8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.951 4.685 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.332 5.356 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.024 3.839 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.812 2.920 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.504 5.860 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.898 4.547 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.116 4.378 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.048 4.217 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.624 5.761 6.472 1.00 0.00 H new ATOM 105 N VAL A 8 10.926 5.235 7.063 1.00 0.00 N ATOM 106 CA VAL A 8 11.948 6.241 7.303 1.00 0.00 C ATOM 107 C VAL A 8 11.576 7.048 8.546 1.00 0.00 C ATOM 108 O VAL A 8 10.396 7.126 8.891 1.00 0.00 O ATOM 109 CB VAL A 8 12.084 7.187 6.086 1.00 0.00 C ATOM 110 CG1 VAL A 8 13.209 8.189 6.285 1.00 0.00 C ATOM 111 CG2 VAL A 8 12.304 6.386 4.812 1.00 0.00 C ATOM 0 H VAL A 8 10.092 5.592 6.598 1.00 0.00 H new ATOM 0 HA VAL A 8 12.905 5.742 7.457 1.00 0.00 H new ATOM 0 HB VAL A 8 11.153 7.746 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.277 8.838 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.007 8.792 7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.151 7.657 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.398 7.067 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.216 5.796 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.456 5.720 4.650 1.00 0.00 H new ATOM 121 N GLY A 9 12.598 7.477 9.292 1.00 0.00 N ATOM 122 CA GLY A 9 12.402 8.119 10.589 1.00 0.00 C ATOM 123 C GLY A 9 11.245 9.103 10.628 1.00 0.00 C ATOM 124 O GLY A 9 11.078 9.920 9.721 1.00 0.00 O ATOM 0 H GLY A 9 13.576 7.389 9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.235 7.349 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.318 8.641 10.866 1.00 0.00 H new ATOM 128 N GLY A 10 10.416 8.981 11.661 1.00 0.00 N ATOM 129 CA GLY A 10 9.235 9.815 11.781 1.00 0.00 C ATOM 130 C GLY A 10 7.989 9.096 11.308 1.00 0.00 C ATOM 131 O GLY A 10 6.903 9.267 11.868 1.00 0.00 O ATOM 0 H GLY A 10 10.544 8.314 12.422 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.108 10.118 12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.372 10.726 11.198 1.00 0.00 H new ATOM 135 N LEU A 11 8.154 8.266 10.291 1.00 0.00 N ATOM 136 CA LEU A 11 7.055 7.492 9.741 1.00 0.00 C ATOM 137 C LEU A 11 7.170 6.039 10.180 1.00 0.00 C ATOM 138 O LEU A 11 8.222 5.606 10.653 1.00 0.00 O ATOM 139 CB LEU A 11 7.054 7.572 8.213 1.00 0.00 C ATOM 140 CG LEU A 11 7.211 8.975 7.625 1.00 0.00 C ATOM 141 CD1 LEU A 11 7.166 8.916 6.108 1.00 0.00 C ATOM 142 CD2 LEU A 11 6.135 9.909 8.159 1.00 0.00 C ATOM 0 H LEU A 11 9.049 8.111 9.826 1.00 0.00 H new ATOM 0 HA LEU A 11 6.119 7.908 10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.862 6.946 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.121 7.146 7.845 1.00 0.00 H new ATOM 0 HG LEU A 11 8.180 9.370 7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.279 9.921 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.976 8.284 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.210 8.500 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.267 10.901 7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.152 9.523 7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.214 9.973 9.244 1.00 0.00 H new ATOM 153 N LYS A 12 6.097 5.284 10.004 1.00 0.00 N ATOM 154 CA LYS A 12 6.091 3.873 10.362 1.00 0.00 C ATOM 155 C LYS A 12 5.263 3.070 9.365 1.00 0.00 C ATOM 156 O LYS A 12 4.352 3.608 8.730 1.00 0.00 O ATOM 157 CB LYS A 12 5.564 3.681 11.791 1.00 0.00 C ATOM 158 CG LYS A 12 4.223 4.343 12.049 1.00 0.00 C ATOM 159 CD LYS A 12 3.894 4.370 13.532 1.00 0.00 C ATOM 160 CE LYS A 12 2.601 5.119 13.797 1.00 0.00 C ATOM 161 NZ LYS A 12 2.332 5.272 15.250 1.00 0.00 N ATOM 0 H LYS A 12 5.218 5.625 9.615 1.00 0.00 H new ATOM 0 HA LYS A 12 7.116 3.504 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.476 2.614 11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.296 4.080 12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.237 5.361 11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.441 3.807 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.809 3.350 13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.709 4.843 14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.651 6.104 13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.772 4.588 13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.440 5.789 15.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.258 4.333 15.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.110 5.802 15.693 1.00 0.00 H new ATOM 171 N LEU A 13 5.653 1.820 9.159 1.00 0.00 N ATOM 172 CA LEU A 13 4.974 0.932 8.223 1.00 0.00 C ATOM 173 C LEU A 13 5.218 -0.503 8.649 1.00 0.00 C ATOM 174 O LEU A 13 6.357 -0.927 8.820 1.00 0.00 O ATOM 175 CB LEU A 13 5.480 1.150 6.787 1.00 0.00 C ATOM 176 CG LEU A 13 4.464 0.901 5.656 1.00 0.00 C ATOM 177 CD1 LEU A 13 5.122 1.114 4.302 1.00 0.00 C ATOM 178 CD2 LEU A 13 3.868 -0.497 5.726 1.00 0.00 C ATOM 0 H LEU A 13 6.448 1.392 9.635 1.00 0.00 H new ATOM 0 HA LEU A 13 3.906 1.150 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.839 2.176 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.338 0.498 6.625 1.00 0.00 H new ATOM 0 HG LEU A 13 3.652 1.617 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.393 0.935 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.488 2.138 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.956 0.422 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.157 -0.631 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.664 -1.237 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.356 -0.627 6.679 1.00 0.00 H new ATOM 189 N THR A 14 4.141 -1.226 8.871 1.00 0.00 N ATOM 190 CA THR A 14 4.216 -2.594 9.337 1.00 0.00 C ATOM 191 C THR A 14 3.136 -3.439 8.680 1.00 0.00 C ATOM 192 O THR A 14 1.979 -3.035 8.611 1.00 0.00 O ATOM 193 CB THR A 14 4.035 -2.657 10.865 1.00 0.00 C ATOM 194 OG1 THR A 14 4.845 -1.655 11.491 1.00 0.00 O ATOM 195 CG2 THR A 14 4.407 -4.031 11.409 1.00 0.00 C ATOM 0 H THR A 14 3.190 -0.883 8.734 1.00 0.00 H new ATOM 0 HA THR A 14 5.199 -2.984 9.071 1.00 0.00 H new ATOM 0 HB THR A 14 2.984 -2.474 11.090 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.609 -1.589 12.440 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.269 -4.044 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.769 -4.788 10.953 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.450 -4.245 11.174 1.00 0.00 H new ATOM 203 N ILE A 15 3.510 -4.626 8.242 1.00 0.00 N ATOM 204 CA ILE A 15 2.556 -5.574 7.690 1.00 0.00 C ATOM 205 C ILE A 15 2.736 -6.913 8.362 1.00 0.00 C ATOM 206 O ILE A 15 3.825 -7.470 8.336 1.00 0.00 O ATOM 207 CB ILE A 15 2.730 -5.775 6.168 1.00 0.00 C ATOM 208 CG1 ILE A 15 2.475 -4.456 5.418 1.00 0.00 C ATOM 209 CG2 ILE A 15 1.794 -6.869 5.659 1.00 0.00 C ATOM 210 CD1 ILE A 15 2.495 -4.587 3.905 1.00 0.00 C ATOM 0 H ILE A 15 4.474 -4.960 8.257 1.00 0.00 H new ATOM 0 HA ILE A 15 1.562 -5.165 7.869 1.00 0.00 H new ATOM 0 HB ILE A 15 3.757 -6.087 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.508 -4.058 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.229 -3.728 5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.932 -6.995 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.020 -7.807 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.761 -6.587 5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.307 -3.613 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.470 -4.954 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.722 -5.288 3.590 1.00 0.00 H new ATOM 221 N THR A 16 1.663 -7.470 8.871 1.00 0.00 N ATOM 222 CA THR A 16 1.716 -8.809 9.408 1.00 0.00 C ATOM 223 C THR A 16 0.872 -9.731 8.540 1.00 0.00 C ATOM 224 O THR A 16 -0.189 -9.337 8.052 1.00 0.00 O ATOM 225 CB THR A 16 1.241 -8.856 10.878 1.00 0.00 C ATOM 226 OG1 THR A 16 2.029 -7.953 11.670 1.00 0.00 O ATOM 227 CG2 THR A 16 1.356 -10.262 11.450 1.00 0.00 C ATOM 0 H THR A 16 0.749 -7.021 8.925 1.00 0.00 H new ATOM 0 HA THR A 16 2.753 -9.145 9.398 1.00 0.00 H new ATOM 0 HB THR A 16 0.193 -8.558 10.905 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.725 -7.984 12.601 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.015 -10.263 12.485 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.740 -10.945 10.864 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.396 -10.587 11.411 1.00 0.00 H new ATOM 235 N GLN A 17 1.450 -10.860 8.189 1.00 0.00 N ATOM 236 CA GLN A 17 0.860 -11.750 7.214 1.00 0.00 C ATOM 237 C GLN A 17 0.836 -13.181 7.737 1.00 0.00 C ATOM 238 O GLN A 17 1.725 -13.594 8.480 1.00 0.00 O ATOM 239 CB GLN A 17 1.648 -11.683 5.893 1.00 0.00 C ATOM 240 CG GLN A 17 3.092 -12.199 5.962 1.00 0.00 C ATOM 241 CD GLN A 17 4.063 -11.272 6.691 1.00 0.00 C ATOM 242 OE1 GLN A 17 3.994 -11.102 7.906 1.00 0.00 O ATOM 243 NE2 GLN A 17 4.985 -10.673 5.952 1.00 0.00 N ATOM 0 H GLN A 17 2.339 -11.185 8.570 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.167 -11.432 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.110 -12.258 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.666 -10.648 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.094 -13.169 6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.456 -12.360 4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.016 -10.835 4.945 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.664 -10.050 6.390 1.00 0.00 H new ATOM 250 N GLU A 18 -0.178 -13.936 7.338 1.00 0.00 N ATOM 251 CA GLU A 18 -0.290 -15.332 7.737 1.00 0.00 C ATOM 252 C GLU A 18 -0.676 -16.198 6.539 1.00 0.00 C ATOM 253 O GLU A 18 -1.837 -16.230 6.125 1.00 0.00 O ATOM 254 CB GLU A 18 -1.296 -15.481 8.887 1.00 0.00 C ATOM 255 CG GLU A 18 -2.657 -14.852 8.620 1.00 0.00 C ATOM 256 CD GLU A 18 -3.536 -14.825 9.855 1.00 0.00 C ATOM 257 OE1 GLU A 18 -3.055 -15.195 10.947 1.00 0.00 O ATOM 258 OE2 GLU A 18 -4.708 -14.412 9.743 1.00 0.00 O ATOM 0 H GLU A 18 -0.934 -13.606 6.739 1.00 0.00 H new ATOM 0 HA GLU A 18 0.679 -15.676 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.435 -16.542 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.872 -15.031 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.518 -13.835 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.162 -15.408 7.830 1.00 0.00 H new ATOM 263 N GLY A 19 0.339 -16.782 5.904 1.00 0.00 N ATOM 264 CA GLY A 19 0.143 -17.535 4.673 1.00 0.00 C ATOM 265 C GLY A 19 -0.111 -16.616 3.496 1.00 0.00 C ATOM 266 O GLY A 19 0.799 -16.327 2.718 1.00 0.00 O ATOM 0 H GLY A 19 1.306 -16.746 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.023 -18.147 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.699 -18.217 4.792 1.00 0.00 H new ATOM 270 N ASN A 20 -1.268 -15.977 3.520 1.00 0.00 N ATOM 271 CA ASN A 20 -1.582 -14.883 2.617 1.00 0.00 C ATOM 272 C ASN A 20 -2.759 -14.095 3.174 1.00 0.00 C ATOM 273 O ASN A 20 -3.923 -14.399 2.921 1.00 0.00 O ATOM 274 CB ASN A 20 -1.890 -15.383 1.195 1.00 0.00 C ATOM 275 CG ASN A 20 -2.532 -16.758 1.150 1.00 0.00 C ATOM 276 OD1 ASN A 20 -2.000 -17.623 0.301 1.00 0.00 O flip ATOM 277 ND2 ASN A 20 -3.499 -17.038 1.854 1.00 0.00 N flip ATOM 0 H ASN A 20 -2.020 -16.204 4.170 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.708 -14.236 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.551 -14.668 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.964 -15.407 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.880 -16.343 2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.921 -17.965 1.796 1.00 0.00 H new ATOM 283 N LYS A 21 -2.416 -13.010 3.843 1.00 0.00 N ATOM 284 CA LYS A 21 -3.377 -12.054 4.360 1.00 0.00 C ATOM 285 C LYS A 21 -2.596 -10.844 4.823 1.00 0.00 C ATOM 286 O LYS A 21 -1.832 -10.939 5.781 1.00 0.00 O ATOM 287 CB LYS A 21 -4.185 -12.628 5.529 1.00 0.00 C ATOM 288 CG LYS A 21 -5.422 -11.802 5.853 1.00 0.00 C ATOM 289 CD LYS A 21 -5.986 -12.135 7.223 1.00 0.00 C ATOM 290 CE LYS A 21 -5.110 -11.581 8.336 1.00 0.00 C ATOM 291 NZ LYS A 21 -5.643 -11.915 9.683 1.00 0.00 N ATOM 0 H LYS A 21 -1.447 -12.765 4.046 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.092 -11.798 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.487 -13.648 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.549 -12.683 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.171 -10.742 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.185 -11.978 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.992 -11.726 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.071 -13.216 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.101 -11.981 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.036 -10.498 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.045 -11.476 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.615 -11.556 9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.642 -12.947 9.810 1.00 0.00 H new ATOM 301 N PHE A 22 -2.641 -9.776 4.060 1.00 0.00 N ATOM 302 CA PHE A 22 -1.791 -8.636 4.343 1.00 0.00 C ATOM 303 C PHE A 22 -2.587 -7.475 4.903 1.00 0.00 C ATOM 304 O PHE A 22 -3.621 -7.094 4.359 1.00 0.00 O ATOM 305 CB PHE A 22 -1.033 -8.195 3.087 1.00 0.00 C ATOM 306 CG PHE A 22 0.141 -9.069 2.735 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.014 -10.447 2.677 1.00 0.00 C ATOM 308 CD2 PHE A 22 1.377 -8.506 2.463 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.092 -11.244 2.353 1.00 0.00 C ATOM 310 CE2 PHE A 22 2.459 -9.299 2.140 1.00 0.00 C ATOM 311 CZ PHE A 22 2.317 -10.669 2.084 1.00 0.00 C ATOM 0 H PHE A 22 -3.248 -9.670 3.247 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.070 -8.949 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.725 -8.180 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.681 -7.173 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.942 -10.903 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.495 -7.433 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.977 -12.317 2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.417 -8.846 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.163 -11.291 1.830 1.00 0.00 H new ATOM 320 N THR A 23 -2.041 -6.860 5.932 1.00 0.00 N ATOM 321 CA THR A 23 -2.609 -5.655 6.488 1.00 0.00 C ATOM 322 C THR A 23 -1.511 -4.608 6.604 1.00 0.00 C ATOM 323 O THR A 23 -0.383 -4.920 6.991 1.00 0.00 O ATOM 324 CB THR A 23 -3.273 -5.906 7.862 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.995 -4.737 8.276 1.00 0.00 O ATOM 326 CG2 THR A 23 -2.247 -6.271 8.927 1.00 0.00 C ATOM 0 H THR A 23 -1.195 -7.182 6.403 1.00 0.00 H new ATOM 0 HA THR A 23 -3.396 -5.300 5.823 1.00 0.00 H new ATOM 0 HB THR A 23 -3.957 -6.747 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.415 -4.903 9.146 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.753 -6.439 9.877 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.721 -7.179 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.531 -5.457 9.037 1.00 0.00 H new ATOM 334 N VAL A 24 -1.779 -3.428 6.088 1.00 0.00 N ATOM 335 CA VAL A 24 -0.758 -2.408 5.983 1.00 0.00 C ATOM 336 C VAL A 24 -0.946 -1.352 7.050 1.00 0.00 C ATOM 337 O VAL A 24 -1.978 -0.694 7.099 1.00 0.00 O ATOM 338 CB VAL A 24 -0.783 -1.727 4.596 1.00 0.00 C ATOM 339 CG1 VAL A 24 0.323 -0.688 4.480 1.00 0.00 C ATOM 340 CG2 VAL A 24 -0.663 -2.759 3.488 1.00 0.00 C ATOM 0 H VAL A 24 -2.695 -3.151 5.735 1.00 0.00 H new ATOM 0 HA VAL A 24 0.204 -2.901 6.119 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.741 -1.217 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.284 -0.223 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.187 0.075 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.291 -1.170 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.683 -2.258 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.276 -3.302 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.496 -3.459 3.551 1.00 0.00 H new ATOM 350 N LYS A 25 0.107 -1.097 7.799 1.00 0.00 N ATOM 351 CA LYS A 25 0.108 -0.011 8.751 1.00 0.00 C ATOM 352 C LYS A 25 0.879 1.143 8.146 1.00 0.00 C ATOM 353 O LYS A 25 2.091 1.065 7.982 1.00 0.00 O ATOM 354 CB LYS A 25 0.765 -0.460 10.059 1.00 0.00 C ATOM 355 CG LYS A 25 0.891 0.639 11.099 1.00 0.00 C ATOM 356 CD LYS A 25 1.684 0.170 12.308 1.00 0.00 C ATOM 357 CE LYS A 25 1.647 1.195 13.426 1.00 0.00 C ATOM 358 NZ LYS A 25 0.256 1.484 13.862 1.00 0.00 N ATOM 0 H LYS A 25 0.975 -1.631 7.765 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.913 0.297 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.185 -1.280 10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.758 -0.852 9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.379 1.507 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.102 0.959 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.278 -0.776 12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.718 -0.016 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.225 0.829 14.274 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.122 2.117 13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.269 1.888 14.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.179 2.163 13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.297 0.603 13.865 1.00 0.00 H new ATOM 368 N GLU A 26 0.153 2.135 7.670 1.00 0.00 N ATOM 369 CA GLU A 26 0.759 3.225 6.932 1.00 0.00 C ATOM 370 C GLU A 26 0.660 4.529 7.705 1.00 0.00 C ATOM 371 O GLU A 26 -0.374 4.847 8.296 1.00 0.00 O ATOM 372 CB GLU A 26 0.103 3.351 5.549 1.00 0.00 C ATOM 373 CG GLU A 26 0.476 4.613 4.777 1.00 0.00 C ATOM 374 CD GLU A 26 1.970 4.779 4.546 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.758 3.914 4.976 1.00 0.00 O ATOM 376 OE2 GLU A 26 2.364 5.804 3.955 1.00 0.00 O ATOM 0 H GLU A 26 -0.858 2.209 7.781 1.00 0.00 H new ATOM 0 HA GLU A 26 1.818 3.006 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.378 2.482 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.980 3.324 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.031 4.599 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.104 5.482 5.320 1.00 0.00 H new ATOM 381 N SER A 27 1.753 5.271 7.698 1.00 0.00 N ATOM 382 CA SER A 27 1.826 6.563 8.346 1.00 0.00 C ATOM 383 C SER A 27 2.849 7.423 7.620 1.00 0.00 C ATOM 384 O SER A 27 4.018 7.045 7.520 1.00 0.00 O ATOM 385 CB SER A 27 2.238 6.401 9.808 1.00 0.00 C ATOM 386 OG SER A 27 1.416 5.454 10.469 1.00 0.00 O ATOM 0 H SER A 27 2.619 4.990 7.239 1.00 0.00 H new ATOM 0 HA SER A 27 0.846 7.039 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.279 6.084 9.862 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.171 7.363 10.316 1.00 0.00 H new ATOM 0 HG SER A 27 0.964 5.884 11.225 1.00 0.00 H new ATOM 391 N SER A 28 2.396 8.532 7.059 1.00 0.00 N ATOM 392 CA SER A 28 3.259 9.419 6.295 1.00 0.00 C ATOM 393 C SER A 28 2.708 10.834 6.332 1.00 0.00 C ATOM 394 O SER A 28 1.492 11.020 6.403 1.00 0.00 O ATOM 395 CB SER A 28 3.389 8.938 4.845 1.00 0.00 C ATOM 396 OG SER A 28 3.997 7.657 4.780 1.00 0.00 O ATOM 0 H SER A 28 1.426 8.842 7.119 1.00 0.00 H new ATOM 0 HA SER A 28 4.251 9.410 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.403 8.899 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.981 9.653 4.274 1.00 0.00 H new ATOM 0 HG SER A 28 3.312 6.978 4.607 1.00 0.00 H new ATOM 401 N ASN A 29 3.615 11.812 6.368 1.00 0.00 N ATOM 402 CA ASN A 29 3.262 13.229 6.472 1.00 0.00 C ATOM 403 C ASN A 29 2.591 13.527 7.810 1.00 0.00 C ATOM 404 O ASN A 29 3.259 13.938 8.761 1.00 0.00 O ATOM 405 CB ASN A 29 2.366 13.672 5.306 1.00 0.00 C ATOM 406 CG ASN A 29 3.104 13.708 3.977 1.00 0.00 C ATOM 407 OD1 ASN A 29 3.564 12.682 3.474 1.00 0.00 O ATOM 408 ND2 ASN A 29 3.227 14.893 3.402 1.00 0.00 N ATOM 0 H ASN A 29 4.620 11.642 6.326 1.00 0.00 H new ATOM 0 HA ASN A 29 4.188 13.802 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.518 12.992 5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.963 14.662 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.716 14.979 2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.832 15.720 3.849 1.00 0.00 H new ATOM 414 N PHE A 30 1.316 13.172 7.930 1.00 0.00 N ATOM 415 CA PHE A 30 0.597 13.309 9.189 1.00 0.00 C ATOM 416 C PHE A 30 -0.779 12.644 9.111 1.00 0.00 C ATOM 417 O PHE A 30 -1.804 13.266 9.395 1.00 0.00 O ATOM 418 CB PHE A 30 0.458 14.787 9.583 1.00 0.00 C ATOM 419 CG PHE A 30 0.035 14.988 11.012 1.00 0.00 C ATOM 420 CD1 PHE A 30 0.446 14.104 11.999 1.00 0.00 C ATOM 421 CD2 PHE A 30 -0.768 16.056 11.367 1.00 0.00 C ATOM 422 CE1 PHE A 30 0.056 14.283 13.311 1.00 0.00 C ATOM 423 CE2 PHE A 30 -1.160 16.238 12.679 1.00 0.00 C ATOM 424 CZ PHE A 30 -0.745 15.352 13.652 1.00 0.00 C ATOM 0 H PHE A 30 0.759 12.786 7.168 1.00 0.00 H new ATOM 0 HA PHE A 30 1.177 12.802 9.960 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.411 15.290 9.420 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.270 15.263 8.926 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.077 13.267 11.738 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.092 16.755 10.611 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.378 13.586 14.070 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.791 17.074 12.943 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.047 15.496 14.679 1.00 0.00 H new ATOM 433 N ARG A 31 -0.783 11.351 8.818 1.00 0.00 N ATOM 434 CA ARG A 31 -2.009 10.562 8.852 1.00 0.00 C ATOM 435 C ARG A 31 -1.669 9.090 9.029 1.00 0.00 C ATOM 436 O ARG A 31 -0.675 8.602 8.485 1.00 0.00 O ATOM 437 CB ARG A 31 -2.869 10.764 7.593 1.00 0.00 C ATOM 438 CG ARG A 31 -2.298 10.152 6.319 1.00 0.00 C ATOM 439 CD ARG A 31 -1.429 11.137 5.554 1.00 0.00 C ATOM 440 NE ARG A 31 -2.171 12.337 5.157 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.152 12.356 4.246 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.466 11.264 3.558 1.00 0.00 N ATOM 443 NH2 ARG A 31 -3.816 13.481 4.015 1.00 0.00 N ATOM 0 H ARG A 31 0.050 10.825 8.554 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.600 10.907 9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.856 10.337 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.008 11.833 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.709 9.270 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.115 9.817 5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.579 11.425 6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.026 10.650 4.666 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.923 13.219 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.957 10.395 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.216 11.294 2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.579 14.328 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.564 13.499 3.322 1.00 0.00 H new ATOM 454 N ASN A 32 -2.441 8.417 9.867 1.00 0.00 N ATOM 455 CA ASN A 32 -2.199 7.014 10.179 1.00 0.00 C ATOM 456 C ASN A 32 -3.396 6.183 9.747 1.00 0.00 C ATOM 457 O ASN A 32 -4.542 6.593 9.946 1.00 0.00 O ATOM 458 CB ASN A 32 -1.953 6.823 11.681 1.00 0.00 C ATOM 459 CG ASN A 32 -0.834 7.698 12.222 1.00 0.00 C ATOM 460 OD1 ASN A 32 0.272 7.080 12.597 1.00 0.00 O flip ATOM 461 ND2 ASN A 32 -0.962 8.921 12.302 1.00 0.00 N flip ATOM 0 H ASN A 32 -3.245 8.821 10.347 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.310 6.687 9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.872 7.043 12.224 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.713 5.777 11.873 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.831 9.363 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.199 9.491 12.667 1.00 0.00 H new ATOM 467 N ILE A 33 -3.143 5.065 9.082 1.00 0.00 N ATOM 468 CA ILE A 33 -4.218 4.255 8.533 1.00 0.00 C ATOM 469 C ILE A 33 -3.748 2.824 8.269 1.00 0.00 C ATOM 470 O ILE A 33 -2.584 2.597 7.932 1.00 0.00 O ATOM 471 CB ILE A 33 -4.755 4.881 7.220 1.00 0.00 C ATOM 472 CG1 ILE A 33 -6.002 4.145 6.728 1.00 0.00 C ATOM 473 CG2 ILE A 33 -3.681 4.894 6.138 1.00 0.00 C ATOM 474 CD1 ILE A 33 -7.187 4.280 7.657 1.00 0.00 C ATOM 0 H ILE A 33 -2.206 4.700 8.911 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.021 4.226 9.269 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.032 5.913 7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.276 4.527 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.766 3.088 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.086 5.338 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.828 5.480 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.361 3.873 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.036 3.734 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.931 3.871 8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.449 5.333 7.761 1.00 0.00 H new ATOM 485 N ASP A 34 -4.649 1.865 8.435 1.00 0.00 N ATOM 486 CA ASP A 34 -4.347 0.468 8.158 1.00 0.00 C ATOM 487 C ASP A 34 -5.275 -0.082 7.090 1.00 0.00 C ATOM 488 O ASP A 34 -6.467 0.225 7.064 1.00 0.00 O ATOM 489 CB ASP A 34 -4.429 -0.418 9.411 1.00 0.00 C ATOM 490 CG ASP A 34 -5.743 -0.310 10.175 1.00 0.00 C ATOM 491 OD1 ASP A 34 -6.509 0.650 9.954 1.00 0.00 O ATOM 492 OD2 ASP A 34 -6.001 -1.185 11.033 1.00 0.00 O ATOM 0 H ASP A 34 -5.601 2.031 8.762 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.317 0.444 7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.278 -1.457 9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.611 -0.155 10.081 1.00 0.00 H new ATOM 496 N VAL A 35 -4.729 -0.903 6.213 1.00 0.00 N ATOM 497 CA VAL A 35 -5.513 -1.514 5.152 1.00 0.00 C ATOM 498 C VAL A 35 -5.294 -3.021 5.141 1.00 0.00 C ATOM 499 O VAL A 35 -4.198 -3.487 4.836 1.00 0.00 O ATOM 500 CB VAL A 35 -5.134 -0.950 3.761 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.133 -1.406 2.706 1.00 0.00 C ATOM 502 CG2 VAL A 35 -5.035 0.568 3.789 1.00 0.00 C ATOM 0 H VAL A 35 -3.743 -1.164 6.213 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.560 -1.283 5.350 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.152 -1.342 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.849 -0.999 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.137 -2.495 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.129 -1.051 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.767 0.934 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.996 0.990 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.271 0.870 4.505 1.00 0.00 H new ATOM 512 N VAL A 36 -6.328 -3.774 5.479 1.00 0.00 N ATOM 513 CA VAL A 36 -6.240 -5.229 5.488 1.00 0.00 C ATOM 514 C VAL A 36 -6.939 -5.815 4.262 1.00 0.00 C ATOM 515 O VAL A 36 -8.005 -5.342 3.853 1.00 0.00 O ATOM 516 CB VAL A 36 -6.839 -5.829 6.783 1.00 0.00 C ATOM 517 CG1 VAL A 36 -8.312 -5.477 6.924 1.00 0.00 C ATOM 518 CG2 VAL A 36 -6.638 -7.336 6.826 1.00 0.00 C ATOM 0 H VAL A 36 -7.239 -3.404 5.751 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.183 -5.494 5.455 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.309 -5.390 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.704 -5.913 7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.425 -4.393 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.864 -5.872 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.067 -7.734 7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.130 -7.793 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.572 -7.562 6.796 1.00 0.00 H new ATOM 528 N PHE A 37 -6.274 -6.765 3.616 1.00 0.00 N ATOM 529 CA PHE A 37 -6.760 -7.344 2.370 1.00 0.00 C ATOM 530 C PHE A 37 -6.224 -8.755 2.183 1.00 0.00 C ATOM 531 O PHE A 37 -5.130 -9.091 2.644 1.00 0.00 O ATOM 532 CB PHE A 37 -6.358 -6.468 1.177 1.00 0.00 C ATOM 533 CG PHE A 37 -4.938 -5.970 1.233 1.00 0.00 C ATOM 534 CD1 PHE A 37 -3.887 -6.753 0.782 1.00 0.00 C ATOM 535 CD2 PHE A 37 -4.659 -4.709 1.737 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.589 -6.287 0.836 1.00 0.00 C ATOM 537 CE2 PHE A 37 -3.363 -4.240 1.792 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.326 -5.030 1.341 1.00 0.00 C ATOM 0 H PHE A 37 -5.388 -7.154 3.939 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.848 -7.391 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.496 -7.038 0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.031 -5.612 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.086 -7.737 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.467 -4.086 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.778 -6.907 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.160 -3.256 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.310 -4.665 1.383 1.00 0.00 H new ATOM 547 N GLU A 38 -6.998 -9.579 1.502 1.00 0.00 N ATOM 548 CA GLU A 38 -6.596 -10.941 1.228 1.00 0.00 C ATOM 549 C GLU A 38 -6.136 -11.046 -0.219 1.00 0.00 C ATOM 550 O GLU A 38 -6.624 -10.314 -1.086 1.00 0.00 O ATOM 551 CB GLU A 38 -7.753 -11.898 1.506 1.00 0.00 C ATOM 552 CG GLU A 38 -7.331 -13.353 1.619 1.00 0.00 C ATOM 553 CD GLU A 38 -8.482 -14.263 1.987 1.00 0.00 C ATOM 554 OE1 GLU A 38 -9.640 -13.793 1.994 1.00 0.00 O ATOM 555 OE2 GLU A 38 -8.237 -15.450 2.275 1.00 0.00 O ATOM 0 H GLU A 38 -7.912 -9.325 1.128 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.769 -11.218 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.245 -11.599 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.490 -11.804 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.903 -13.679 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.546 -13.443 2.370 1.00 0.00 H new ATOM 560 N LEU A 39 -5.092 -11.828 -0.443 1.00 0.00 N ATOM 561 CA LEU A 39 -4.458 -11.901 -1.752 1.00 0.00 C ATOM 562 C LEU A 39 -5.419 -12.435 -2.807 1.00 0.00 C ATOM 563 O LEU A 39 -6.019 -13.500 -2.644 1.00 0.00 O ATOM 564 CB LEU A 39 -3.196 -12.772 -1.694 1.00 0.00 C ATOM 565 CG LEU A 39 -1.972 -12.139 -1.012 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.586 -10.836 -1.688 1.00 0.00 C ATOM 567 CD2 LEU A 39 -2.219 -11.902 0.469 1.00 0.00 C ATOM 0 H LEU A 39 -4.664 -12.423 0.266 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.174 -10.888 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.440 -13.697 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.919 -13.045 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.147 -12.845 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.718 -10.409 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.344 -11.026 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.419 -10.135 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.333 -11.454 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.068 -11.230 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.433 -12.852 0.959 1.00 0.00 H new ATOM 578 N GLY A 40 -5.557 -11.677 -3.886 1.00 0.00 N ATOM 579 CA GLY A 40 -6.433 -12.058 -4.973 1.00 0.00 C ATOM 580 C GLY A 40 -7.896 -11.881 -4.630 1.00 0.00 C ATOM 581 O GLY A 40 -8.755 -12.574 -5.177 1.00 0.00 O ATOM 0 H GLY A 40 -5.069 -10.792 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.195 -11.461 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.249 -13.100 -5.235 1.00 0.00 H new ATOM 585 N VAL A 41 -8.196 -10.913 -3.778 1.00 0.00 N ATOM 586 CA VAL A 41 -9.575 -10.629 -3.415 1.00 0.00 C ATOM 587 C VAL A 41 -9.948 -9.206 -3.807 1.00 0.00 C ATOM 588 O VAL A 41 -9.160 -8.278 -3.629 1.00 0.00 O ATOM 589 CB VAL A 41 -9.819 -10.842 -1.901 1.00 0.00 C ATOM 590 CG1 VAL A 41 -11.248 -10.476 -1.516 1.00 0.00 C ATOM 591 CG2 VAL A 41 -9.521 -12.283 -1.512 1.00 0.00 C ATOM 0 H VAL A 41 -7.506 -10.313 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.209 -11.328 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.143 -10.183 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.389 -10.636 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.432 -9.428 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.946 -11.102 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.698 -12.416 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.172 -12.953 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.480 -12.513 -1.739 1.00 0.00 H new ATOM 601 N ASP A 42 -11.156 -9.048 -4.330 1.00 0.00 N ATOM 602 CA ASP A 42 -11.670 -7.739 -4.710 1.00 0.00 C ATOM 603 C ASP A 42 -12.651 -7.260 -3.655 1.00 0.00 C ATOM 604 O ASP A 42 -13.394 -8.064 -3.084 1.00 0.00 O ATOM 605 CB ASP A 42 -12.372 -7.806 -6.069 1.00 0.00 C ATOM 606 CG ASP A 42 -13.057 -6.503 -6.428 1.00 0.00 C ATOM 607 OD1 ASP A 42 -12.355 -5.503 -6.670 1.00 0.00 O ATOM 608 OD2 ASP A 42 -14.307 -6.471 -6.456 1.00 0.00 O ATOM 0 H ASP A 42 -11.803 -9.817 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.835 -7.043 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.643 -8.055 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -13.109 -8.609 -6.056 1.00 0.00 H new ATOM 612 N PHE A 43 -12.568 -5.986 -3.308 1.00 0.00 N ATOM 613 CA PHE A 43 -13.353 -5.445 -2.210 1.00 0.00 C ATOM 614 C PHE A 43 -13.430 -3.927 -2.290 1.00 0.00 C ATOM 615 O PHE A 43 -12.500 -3.271 -2.764 1.00 0.00 O ATOM 616 CB PHE A 43 -12.727 -5.871 -0.872 1.00 0.00 C ATOM 617 CG PHE A 43 -11.282 -5.464 -0.733 1.00 0.00 C ATOM 618 CD1 PHE A 43 -10.944 -4.210 -0.247 1.00 0.00 C ATOM 619 CD2 PHE A 43 -10.266 -6.332 -1.102 1.00 0.00 C ATOM 620 CE1 PHE A 43 -9.622 -3.830 -0.131 1.00 0.00 C ATOM 621 CE2 PHE A 43 -8.945 -5.956 -0.992 1.00 0.00 C ATOM 622 CZ PHE A 43 -8.621 -4.704 -0.507 1.00 0.00 C ATOM 0 H PHE A 43 -11.964 -5.306 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 43 -14.367 -5.839 -2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.301 -5.434 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.804 -6.954 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.724 -3.522 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.513 -7.313 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.371 -2.852 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.163 -6.640 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.586 -4.409 -0.422 1.00 0.00 H new ATOM 631 N ALA A 44 -14.497 -3.377 -1.736 1.00 0.00 N ATOM 632 CA ALA A 44 -14.633 -1.940 -1.603 1.00 0.00 C ATOM 633 C ALA A 44 -14.355 -1.558 -0.160 1.00 0.00 C ATOM 634 O ALA A 44 -14.824 -2.235 0.759 1.00 0.00 O ATOM 635 CB ALA A 44 -16.026 -1.490 -2.018 1.00 0.00 C ATOM 0 H ALA A 44 -15.286 -3.910 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.918 -1.443 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -16.106 -0.408 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -16.203 -1.765 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.769 -1.974 -1.384 1.00 0.00 H new ATOM 641 N TYR A 45 -13.487 -0.583 0.047 1.00 0.00 N ATOM 642 CA TYR A 45 -13.055 -0.250 1.393 1.00 0.00 C ATOM 643 C TYR A 45 -12.931 1.254 1.571 1.00 0.00 C ATOM 644 O TYR A 45 -12.375 1.950 0.718 1.00 0.00 O ATOM 645 CB TYR A 45 -11.711 -0.917 1.695 1.00 0.00 C ATOM 646 CG TYR A 45 -11.397 -1.010 3.170 1.00 0.00 C ATOM 647 CD1 TYR A 45 -12.385 -1.335 4.089 1.00 0.00 C ATOM 648 CD2 TYR A 45 -10.115 -0.769 3.643 1.00 0.00 C ATOM 649 CE1 TYR A 45 -12.107 -1.415 5.438 1.00 0.00 C ATOM 650 CE2 TYR A 45 -9.829 -0.848 4.993 1.00 0.00 C ATOM 651 CZ TYR A 45 -10.828 -1.170 5.884 1.00 0.00 C ATOM 652 OH TYR A 45 -10.550 -1.239 7.229 1.00 0.00 O ATOM 0 H TYR A 45 -13.071 -0.014 -0.690 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.808 -0.619 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.709 -1.920 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.918 -0.358 1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.389 -1.529 3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.329 -0.516 2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.888 -1.668 6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.827 -0.658 5.347 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.602 -1.041 7.378 1.00 0.00 H new ATOM 661 N SER A 46 -13.416 1.738 2.700 1.00 0.00 N ATOM 662 CA SER A 46 -13.325 3.142 3.031 1.00 0.00 C ATOM 663 C SER A 46 -12.235 3.367 4.071 1.00 0.00 C ATOM 664 O SER A 46 -12.174 2.673 5.092 1.00 0.00 O ATOM 665 CB SER A 46 -14.673 3.650 3.550 1.00 0.00 C ATOM 666 OG SER A 46 -14.584 4.991 4.005 1.00 0.00 O ATOM 0 H SER A 46 -13.881 1.170 3.408 1.00 0.00 H new ATOM 0 HA SER A 46 -13.066 3.700 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.418 3.583 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.015 3.011 4.364 1.00 0.00 H new ATOM 0 HG SER A 46 -15.461 5.286 4.328 1.00 0.00 H new ATOM 671 N LEU A 47 -11.362 4.319 3.793 1.00 0.00 N ATOM 672 CA LEU A 47 -10.266 4.653 4.689 1.00 0.00 C ATOM 673 C LEU A 47 -10.403 6.082 5.194 1.00 0.00 C ATOM 674 O LEU A 47 -10.736 6.990 4.425 1.00 0.00 O ATOM 675 CB LEU A 47 -8.923 4.485 3.976 1.00 0.00 C ATOM 676 CG LEU A 47 -8.581 3.060 3.548 1.00 0.00 C ATOM 677 CD1 LEU A 47 -7.346 3.058 2.659 1.00 0.00 C ATOM 678 CD2 LEU A 47 -8.363 2.180 4.769 1.00 0.00 C ATOM 0 H LEU A 47 -11.391 4.882 2.943 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.305 3.973 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.918 5.123 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.134 4.848 4.635 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.417 2.656 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.114 2.036 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.536 3.660 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.502 3.477 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.120 1.167 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.541 2.580 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.271 2.162 5.371 1.00 0.00 H new ATOM 689 N ALA A 48 -10.196 6.253 6.498 1.00 0.00 N ATOM 690 CA ALA A 48 -10.294 7.556 7.161 1.00 0.00 C ATOM 691 C ALA A 48 -11.654 8.203 6.920 1.00 0.00 C ATOM 692 O ALA A 48 -11.771 9.430 6.880 1.00 0.00 O ATOM 693 CB ALA A 48 -9.171 8.477 6.698 1.00 0.00 C ATOM 0 H ALA A 48 -9.954 5.489 7.129 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.191 7.393 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.260 9.440 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.208 8.028 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.241 8.623 5.620 1.00 0.00 H new ATOM 699 N ASP A 49 -12.670 7.356 6.751 1.00 0.00 N ATOM 700 CA ASP A 49 -14.045 7.794 6.497 1.00 0.00 C ATOM 701 C ASP A 49 -14.103 8.796 5.350 1.00 0.00 C ATOM 702 O ASP A 49 -14.822 9.799 5.422 1.00 0.00 O ATOM 703 CB ASP A 49 -14.676 8.408 7.754 1.00 0.00 C ATOM 704 CG ASP A 49 -14.965 7.389 8.841 1.00 0.00 C ATOM 705 OD1 ASP A 49 -14.545 6.219 8.709 1.00 0.00 O ATOM 706 OD2 ASP A 49 -15.606 7.758 9.847 1.00 0.00 O ATOM 0 H ASP A 49 -12.563 6.342 6.786 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.616 6.909 6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.008 9.172 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.605 8.908 7.479 1.00 0.00 H new ATOM 710 N GLY A 50 -13.319 8.546 4.308 1.00 0.00 N ATOM 711 CA GLY A 50 -13.266 9.470 3.197 1.00 0.00 C ATOM 712 C GLY A 50 -12.851 8.815 1.894 1.00 0.00 C ATOM 713 O GLY A 50 -13.564 8.913 0.898 1.00 0.00 O ATOM 0 H GLY A 50 -12.723 7.724 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.246 9.930 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.566 10.271 3.432 1.00 0.00 H new ATOM 717 N THR A 51 -11.699 8.160 1.881 1.00 0.00 N ATOM 718 CA THR A 51 -11.225 7.516 0.664 1.00 0.00 C ATOM 719 C THR A 51 -11.988 6.217 0.438 1.00 0.00 C ATOM 720 O THR A 51 -12.115 5.409 1.355 1.00 0.00 O ATOM 721 CB THR A 51 -9.708 7.226 0.715 1.00 0.00 C ATOM 722 OG1 THR A 51 -9.443 6.090 1.540 1.00 0.00 O ATOM 723 CG2 THR A 51 -8.943 8.425 1.257 1.00 0.00 C ATOM 0 H THR A 51 -11.082 8.061 2.687 1.00 0.00 H new ATOM 0 HA THR A 51 -11.403 8.203 -0.163 1.00 0.00 H new ATOM 0 HB THR A 51 -9.376 7.022 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.650 5.621 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.878 8.195 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.113 9.287 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.290 8.652 2.265 1.00 0.00 H new ATOM 731 N GLU A 52 -12.470 5.997 -0.777 1.00 0.00 N ATOM 732 CA GLU A 52 -13.197 4.780 -1.078 1.00 0.00 C ATOM 733 C GLU A 52 -12.543 4.069 -2.240 1.00 0.00 C ATOM 734 O GLU A 52 -12.760 4.428 -3.397 1.00 0.00 O ATOM 735 CB GLU A 52 -14.661 5.074 -1.414 1.00 0.00 C ATOM 736 CG GLU A 52 -15.442 5.708 -0.275 1.00 0.00 C ATOM 737 CD GLU A 52 -16.909 5.893 -0.608 1.00 0.00 C ATOM 738 OE1 GLU A 52 -17.624 4.883 -0.767 1.00 0.00 O ATOM 739 OE2 GLU A 52 -17.354 7.053 -0.719 1.00 0.00 O ATOM 0 H GLU A 52 -12.370 6.641 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.172 4.144 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.699 5.736 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.151 4.144 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.351 5.085 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.003 6.676 -0.033 1.00 0.00 H new ATOM 744 N LEU A 53 -11.716 3.091 -1.925 1.00 0.00 N ATOM 745 CA LEU A 53 -11.034 2.318 -2.942 1.00 0.00 C ATOM 746 C LEU A 53 -11.681 0.948 -3.095 1.00 0.00 C ATOM 747 O LEU A 53 -11.846 0.215 -2.122 1.00 0.00 O ATOM 748 CB LEU A 53 -9.546 2.141 -2.611 1.00 0.00 C ATOM 749 CG LEU A 53 -8.632 3.310 -2.994 1.00 0.00 C ATOM 750 CD1 LEU A 53 -8.862 4.500 -2.078 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.174 2.881 -2.943 1.00 0.00 C ATOM 0 H LEU A 53 -11.500 2.813 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.119 2.869 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.450 1.966 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.186 1.243 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.875 3.611 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.202 5.317 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.899 4.826 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.650 4.213 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.537 3.722 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.926 2.553 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.012 2.060 -3.641 1.00 0.00 H new ATOM 762 N THR A 54 -12.002 0.596 -4.325 1.00 0.00 N ATOM 763 CA THR A 54 -12.534 -0.720 -4.637 1.00 0.00 C ATOM 764 C THR A 54 -11.583 -1.419 -5.591 1.00 0.00 C ATOM 765 O THR A 54 -11.368 -0.941 -6.701 1.00 0.00 O ATOM 766 CB THR A 54 -13.913 -0.607 -5.302 1.00 0.00 C ATOM 767 OG1 THR A 54 -14.715 0.339 -4.582 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.615 -1.957 -5.337 1.00 0.00 C ATOM 0 H THR A 54 -11.903 1.209 -5.134 1.00 0.00 H new ATOM 0 HA THR A 54 -12.637 -1.286 -3.711 1.00 0.00 H new ATOM 0 HB THR A 54 -13.775 -0.268 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.595 0.413 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.589 -1.848 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.012 -2.666 -5.903 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.747 -2.325 -4.319 1.00 0.00 H new ATOM 776 N GLY A 55 -10.912 -2.458 -5.130 1.00 0.00 N ATOM 777 CA GLY A 55 -9.921 -3.079 -5.971 1.00 0.00 C ATOM 778 C GLY A 55 -9.446 -4.424 -5.474 1.00 0.00 C ATOM 779 O GLY A 55 -9.638 -4.770 -4.308 1.00 0.00 O ATOM 0 H GLY A 55 -11.032 -2.875 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.334 -3.199 -6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.063 -2.412 -6.057 1.00 0.00 H new ATOM 783 N THR A 56 -8.778 -5.150 -6.358 1.00 0.00 N ATOM 784 CA THR A 56 -8.184 -6.434 -6.027 1.00 0.00 C ATOM 785 C THR A 56 -6.665 -6.283 -5.884 1.00 0.00 C ATOM 786 O THR A 56 -6.050 -5.448 -6.559 1.00 0.00 O ATOM 787 CB THR A 56 -8.518 -7.495 -7.104 1.00 0.00 C ATOM 788 OG1 THR A 56 -8.039 -8.789 -6.709 1.00 0.00 O ATOM 789 CG2 THR A 56 -7.920 -7.122 -8.455 1.00 0.00 C ATOM 0 H THR A 56 -8.633 -4.864 -7.326 1.00 0.00 H new ATOM 0 HA THR A 56 -8.602 -6.773 -5.079 1.00 0.00 H new ATOM 0 HB THR A 56 -9.603 -7.528 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.261 -9.446 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.173 -7.887 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.323 -6.162 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.836 -7.049 -8.366 1.00 0.00 H new ATOM 797 N TRP A 57 -6.078 -7.014 -4.946 1.00 0.00 N ATOM 798 CA TRP A 57 -4.648 -6.908 -4.678 1.00 0.00 C ATOM 799 C TRP A 57 -3.967 -8.265 -4.811 1.00 0.00 C ATOM 800 O TRP A 57 -4.473 -9.269 -4.311 1.00 0.00 O ATOM 801 CB TRP A 57 -4.418 -6.362 -3.268 1.00 0.00 C ATOM 802 CG TRP A 57 -2.975 -6.132 -2.950 1.00 0.00 C ATOM 803 CD1 TRP A 57 -2.137 -6.984 -2.293 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.200 -4.966 -3.257 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.891 -6.426 -2.177 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.903 -5.186 -2.760 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.477 -3.761 -3.907 1.00 0.00 C ATOM 808 CZ2 TRP A 57 0.114 -4.247 -2.891 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.466 -2.828 -4.034 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.184 -3.075 -3.531 1.00 0.00 C ATOM 0 H TRP A 57 -6.569 -7.687 -4.357 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.217 -6.226 -5.411 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.961 -5.424 -3.156 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.836 -7.061 -2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.415 -7.958 -1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.085 -6.863 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.462 -3.563 -4.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 1.103 -4.436 -2.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -1.669 -1.891 -4.531 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.585 -2.326 -3.650 1.00 0.00 H new ATOM 820 N THR A 58 -2.794 -8.283 -5.432 1.00 0.00 N ATOM 821 CA THR A 58 -2.021 -9.508 -5.569 1.00 0.00 C ATOM 822 C THR A 58 -0.543 -9.250 -5.299 1.00 0.00 C ATOM 823 O THR A 58 -0.015 -8.186 -5.638 1.00 0.00 O ATOM 824 CB THR A 58 -2.160 -10.115 -6.979 1.00 0.00 C ATOM 825 OG1 THR A 58 -1.746 -9.161 -7.966 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.591 -10.550 -7.250 1.00 0.00 C ATOM 0 H THR A 58 -2.358 -7.461 -5.849 1.00 0.00 H new ATOM 0 HA THR A 58 -2.417 -10.211 -4.836 1.00 0.00 H new ATOM 0 HB THR A 58 -1.519 -10.995 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.679 -8.274 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.659 -10.974 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.888 -11.300 -6.517 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.254 -9.688 -7.176 1.00 0.00 H new ATOM 834 N MET A 59 0.136 -10.248 -4.759 1.00 0.00 N ATOM 835 CA MET A 59 1.570 -10.167 -4.553 1.00 0.00 C ATOM 836 C MET A 59 2.248 -11.443 -5.028 1.00 0.00 C ATOM 837 O MET A 59 2.069 -12.512 -4.441 1.00 0.00 O ATOM 838 CB MET A 59 1.899 -9.923 -3.083 1.00 0.00 C ATOM 839 CG MET A 59 3.393 -9.899 -2.800 1.00 0.00 C ATOM 840 SD MET A 59 3.769 -9.648 -1.057 1.00 0.00 S ATOM 841 CE MET A 59 5.558 -9.680 -1.092 1.00 0.00 C ATOM 0 H MET A 59 -0.285 -11.126 -4.455 1.00 0.00 H new ATOM 0 HA MET A 59 1.944 -9.325 -5.136 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.461 -8.974 -2.772 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.434 -10.702 -2.479 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.836 -10.838 -3.131 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.856 -9.105 -3.385 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.947 -9.296 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.901 -10.705 -1.235 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.917 -9.059 -1.913 1.00 0.00 H new ATOM 849 N GLU A 60 3.038 -11.322 -6.082 1.00 0.00 N ATOM 850 CA GLU A 60 3.756 -12.461 -6.636 1.00 0.00 C ATOM 851 C GLU A 60 5.223 -12.403 -6.233 1.00 0.00 C ATOM 852 O GLU A 60 5.982 -11.594 -6.765 1.00 0.00 O ATOM 853 CB GLU A 60 3.638 -12.459 -8.162 1.00 0.00 C ATOM 854 CG GLU A 60 4.334 -13.629 -8.835 1.00 0.00 C ATOM 855 CD GLU A 60 4.252 -13.573 -10.345 1.00 0.00 C ATOM 856 OE1 GLU A 60 3.670 -12.605 -10.886 1.00 0.00 O ATOM 857 OE2 GLU A 60 4.759 -14.504 -11.005 1.00 0.00 O ATOM 0 H GLU A 60 3.200 -10.443 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 60 3.317 -13.378 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.583 -12.471 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.057 -11.529 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.381 -13.645 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.888 -14.560 -8.486 1.00 0.00 H new ATOM 862 N GLY A 61 5.605 -13.250 -5.280 1.00 0.00 N ATOM 863 CA GLY A 61 6.977 -13.285 -4.794 1.00 0.00 C ATOM 864 C GLY A 61 7.372 -12.011 -4.069 1.00 0.00 C ATOM 865 O GLY A 61 7.319 -11.939 -2.842 1.00 0.00 O ATOM 0 H GLY A 61 4.981 -13.920 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.099 -14.134 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.652 -13.445 -5.635 1.00 0.00 H new ATOM 869 N ASN A 62 7.693 -10.989 -4.841 1.00 0.00 N ATOM 870 CA ASN A 62 8.028 -9.676 -4.310 1.00 0.00 C ATOM 871 C ASN A 62 7.508 -8.604 -5.250 1.00 0.00 C ATOM 872 O ASN A 62 8.169 -7.598 -5.507 1.00 0.00 O ATOM 873 CB ASN A 62 9.543 -9.523 -4.117 1.00 0.00 C ATOM 874 CG ASN A 62 10.349 -9.992 -5.314 1.00 0.00 C ATOM 875 OD1 ASN A 62 10.203 -9.480 -6.422 1.00 0.00 O ATOM 876 ND2 ASN A 62 11.211 -10.971 -5.101 1.00 0.00 N ATOM 0 H ASN A 62 7.729 -11.044 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 62 7.557 -9.567 -3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.774 -8.476 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.849 -10.088 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.781 -11.325 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.306 -11.373 -4.168 1.00 0.00 H new ATOM 882 N LYS A 63 6.308 -8.828 -5.750 1.00 0.00 N ATOM 883 CA LYS A 63 5.664 -7.909 -6.665 1.00 0.00 C ATOM 884 C LYS A 63 4.309 -7.513 -6.129 1.00 0.00 C ATOM 885 O LYS A 63 3.423 -8.350 -5.969 1.00 0.00 O ATOM 886 CB LYS A 63 5.504 -8.548 -8.041 1.00 0.00 C ATOM 887 CG LYS A 63 6.796 -8.640 -8.822 1.00 0.00 C ATOM 888 CD LYS A 63 7.334 -7.265 -9.137 1.00 0.00 C ATOM 889 CE LYS A 63 8.285 -7.305 -10.313 1.00 0.00 C ATOM 890 NZ LYS A 63 7.582 -7.632 -11.583 1.00 0.00 N ATOM 0 H LYS A 63 5.752 -9.655 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 63 6.289 -7.021 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.090 -9.549 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.781 -7.971 -8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.534 -9.201 -8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.628 -9.190 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.507 -6.590 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.848 -6.864 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.782 -6.340 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.062 -8.046 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.131 -7.267 -12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.485 -8.664 -11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.639 -7.194 -11.580 1.00 0.00 H new ATOM 900 N LEU A 64 4.159 -6.242 -5.853 1.00 0.00 N ATOM 901 CA LEU A 64 2.931 -5.709 -5.312 1.00 0.00 C ATOM 902 C LEU A 64 2.172 -4.987 -6.409 1.00 0.00 C ATOM 903 O LEU A 64 2.625 -3.958 -6.908 1.00 0.00 O ATOM 904 CB LEU A 64 3.281 -4.756 -4.173 1.00 0.00 C ATOM 905 CG LEU A 64 3.995 -5.417 -2.996 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.544 -4.360 -2.052 1.00 0.00 C ATOM 907 CD2 LEU A 64 3.050 -6.347 -2.254 1.00 0.00 C ATOM 0 H LEU A 64 4.888 -5.543 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 64 2.298 -6.509 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.912 -3.958 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.365 -4.289 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 64 4.826 -6.006 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.050 -4.845 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.251 -3.726 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.724 -3.749 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.576 -6.809 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.200 -5.778 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.695 -7.122 -2.933 1.00 0.00 H new ATOM 918 N VAL A 65 1.108 -5.615 -6.887 1.00 0.00 N ATOM 919 CA VAL A 65 0.376 -5.112 -8.040 1.00 0.00 C ATOM 920 C VAL A 65 -1.120 -5.342 -7.865 1.00 0.00 C ATOM 921 O VAL A 65 -1.542 -6.394 -7.381 1.00 0.00 O ATOM 922 CB VAL A 65 0.825 -5.808 -9.353 1.00 0.00 C ATOM 923 CG1 VAL A 65 0.173 -5.154 -10.562 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.339 -5.801 -9.502 1.00 0.00 C ATOM 0 H VAL A 65 0.731 -6.477 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 65 0.590 -4.045 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 65 0.499 -6.847 -9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.502 -5.658 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.911 -5.231 -10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.460 -4.103 -10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.615 -6.297 -10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.698 -4.772 -9.518 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.790 -6.329 -8.662 1.00 0.00 H new ATOM 934 N GLY A 66 -1.914 -4.383 -8.305 1.00 0.00 N ATOM 935 CA GLY A 66 -3.349 -4.544 -8.284 1.00 0.00 C ATOM 936 C GLY A 66 -4.034 -3.437 -9.050 1.00 0.00 C ATOM 937 O GLY A 66 -3.450 -2.868 -9.975 1.00 0.00 O ATOM 0 H GLY A 66 -1.589 -3.491 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.616 -5.508 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.702 -4.549 -7.253 1.00 0.00 H new ATOM 941 N LYS A 67 -5.221 -3.067 -8.608 1.00 0.00 N ATOM 942 CA LYS A 67 -5.943 -1.942 -9.180 1.00 0.00 C ATOM 943 C LYS A 67 -7.084 -1.556 -8.259 1.00 0.00 C ATOM 944 O LYS A 67 -7.958 -2.372 -7.982 1.00 0.00 O ATOM 945 CB LYS A 67 -6.476 -2.276 -10.579 1.00 0.00 C ATOM 946 CG LYS A 67 -7.365 -1.186 -11.163 1.00 0.00 C ATOM 947 CD LYS A 67 -7.613 -1.393 -12.650 1.00 0.00 C ATOM 948 CE LYS A 67 -6.340 -1.192 -13.458 1.00 0.00 C ATOM 949 NZ LYS A 67 -6.582 -1.299 -14.919 1.00 0.00 N ATOM 0 H LYS A 67 -5.712 -3.534 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.255 -1.102 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.634 -2.446 -11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.039 -3.208 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.318 -1.173 -10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.899 -0.214 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.999 -2.398 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.378 -0.696 -12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.919 -0.213 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.600 -1.934 -13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.688 -1.155 -15.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.960 -2.242 -15.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.268 -0.574 -15.211 1.00 0.00 H new ATOM 959 N PHE A 68 -7.039 -0.340 -7.741 1.00 0.00 N ATOM 960 CA PHE A 68 -8.054 0.123 -6.808 1.00 0.00 C ATOM 961 C PHE A 68 -8.757 1.356 -7.352 1.00 0.00 C ATOM 962 O PHE A 68 -8.147 2.195 -8.020 1.00 0.00 O ATOM 963 CB PHE A 68 -7.447 0.423 -5.433 1.00 0.00 C ATOM 964 CG PHE A 68 -7.082 -0.803 -4.640 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.144 -1.706 -5.114 1.00 0.00 C ATOM 966 CD2 PHE A 68 -7.677 -1.046 -3.413 1.00 0.00 C ATOM 967 CE1 PHE A 68 -5.808 -2.828 -4.383 1.00 0.00 C ATOM 968 CE2 PHE A 68 -7.346 -2.166 -2.676 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.410 -3.059 -3.161 1.00 0.00 C ATOM 0 H PHE A 68 -6.312 0.344 -7.950 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.786 -0.676 -6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.555 1.034 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.156 1.017 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.669 -1.530 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.409 -0.351 -3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.076 -3.524 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.818 -2.344 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.150 -3.936 -2.586 1.00 0.00 H new ATOM 978 N LYS A 69 -10.058 1.403 -7.146 1.00 0.00 N ATOM 979 CA LYS A 69 -10.891 2.457 -7.690 1.00 0.00 C ATOM 980 C LYS A 69 -11.275 3.442 -6.595 1.00 0.00 C ATOM 981 O LYS A 69 -11.994 3.096 -5.665 1.00 0.00 O ATOM 982 CB LYS A 69 -12.137 1.825 -8.327 1.00 0.00 C ATOM 983 CG LYS A 69 -13.080 2.811 -8.993 1.00 0.00 C ATOM 984 CD LYS A 69 -13.991 2.109 -9.984 1.00 0.00 C ATOM 985 CE LYS A 69 -14.748 3.105 -10.845 1.00 0.00 C ATOM 986 NZ LYS A 69 -15.717 3.902 -10.049 1.00 0.00 N ATOM 0 H LYS A 69 -10.568 0.711 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.342 3.009 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.817 1.092 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.686 1.282 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.680 3.314 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.504 3.581 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.400 1.451 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.699 1.479 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.040 3.776 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.278 2.573 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.213 4.570 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.408 3.265 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.209 4.430 -9.311 1.00 0.00 H new ATOM 996 N ARG A 70 -10.773 4.661 -6.708 1.00 0.00 N ATOM 997 CA ARG A 70 -11.017 5.709 -5.731 1.00 0.00 C ATOM 998 C ARG A 70 -12.178 6.581 -6.194 1.00 0.00 C ATOM 999 O ARG A 70 -11.972 7.644 -6.781 1.00 0.00 O ATOM 1000 CB ARG A 70 -9.743 6.536 -5.569 1.00 0.00 C ATOM 1001 CG ARG A 70 -9.881 7.744 -4.661 1.00 0.00 C ATOM 1002 CD ARG A 70 -10.069 7.374 -3.203 1.00 0.00 C ATOM 1003 NE ARG A 70 -10.029 8.559 -2.348 1.00 0.00 N ATOM 1004 CZ ARG A 70 -8.940 9.299 -2.122 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -7.751 8.906 -2.562 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -9.042 10.421 -1.424 1.00 0.00 N ATOM 0 H ARG A 70 -10.181 4.953 -7.486 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.283 5.274 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.956 5.892 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.418 6.874 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.993 8.368 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.730 8.343 -4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.023 6.862 -3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.289 6.676 -2.899 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.896 8.841 -1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.662 8.031 -3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.926 9.479 -2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.949 10.716 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.214 10.990 -1.249 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.380 6.050 -6.075 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.561 6.709 -6.619 1.00 0.00 C ATOM 1019 C VAL A 71 -14.818 8.067 -5.952 1.00 0.00 C ATOM 1020 O VAL A 71 -15.183 9.033 -6.621 1.00 0.00 O ATOM 1021 CB VAL A 71 -15.813 5.801 -6.508 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -16.122 5.449 -5.058 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -17.015 6.450 -7.176 1.00 0.00 C ATOM 0 H VAL A 71 -13.569 5.164 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.363 6.892 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.592 4.871 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.005 4.812 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.274 4.920 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.308 6.363 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -17.880 5.794 -7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.230 7.403 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.798 6.619 -8.231 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.600 8.154 -4.642 1.00 0.00 N ATOM 1034 CA ASP A 72 -14.838 9.401 -3.904 1.00 0.00 C ATOM 1035 C ASP A 72 -13.674 10.390 -4.069 1.00 0.00 C ATOM 1036 O ASP A 72 -13.351 11.146 -3.151 1.00 0.00 O ATOM 1037 CB ASP A 72 -15.062 9.108 -2.413 1.00 0.00 C ATOM 1038 CG ASP A 72 -15.678 10.286 -1.667 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -16.163 11.230 -2.325 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -15.695 10.268 -0.421 1.00 0.00 O ATOM 0 H ASP A 72 -14.261 7.382 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.734 9.860 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.712 8.239 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.109 8.849 -1.951 1.00 0.00 H new ATOM 1044 N ASN A 73 -13.080 10.428 -5.256 1.00 0.00 N ATOM 1045 CA ASN A 73 -12.014 11.386 -5.543 1.00 0.00 C ATOM 1046 C ASN A 73 -11.751 11.451 -7.036 1.00 0.00 C ATOM 1047 O ASN A 73 -11.639 12.533 -7.612 1.00 0.00 O ATOM 1048 CB ASN A 73 -10.724 11.022 -4.802 1.00 0.00 C ATOM 1049 CG ASN A 73 -9.639 12.069 -4.975 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -9.855 13.252 -4.701 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -8.459 11.644 -5.406 1.00 0.00 N ATOM 0 H ASN A 73 -13.315 9.811 -6.033 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.343 12.364 -5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.941 10.900 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.359 10.061 -5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.690 12.304 -5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.320 10.657 -5.622 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.718 10.291 -7.669 1.00 0.00 N ATOM 1058 CA GLY A 74 -11.531 10.238 -9.098 1.00 0.00 C ATOM 1059 C GLY A 74 -12.084 8.964 -9.684 1.00 0.00 C ATOM 1060 O GLY A 74 -13.283 8.871 -9.954 1.00 0.00 O ATOM 0 H GLY A 74 -11.818 9.383 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.020 11.095 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.469 10.314 -9.329 1.00 0.00 H new ATOM 1064 N LYS A 75 -11.245 7.943 -9.767 1.00 0.00 N ATOM 1065 CA LYS A 75 -11.689 6.644 -10.247 1.00 0.00 C ATOM 1066 C LYS A 75 -10.631 5.566 -10.046 1.00 0.00 C ATOM 1067 O LYS A 75 -10.954 4.392 -10.020 1.00 0.00 O ATOM 1068 CB LYS A 75 -12.067 6.699 -11.728 1.00 0.00 C ATOM 1069 CG LYS A 75 -10.901 6.992 -12.655 1.00 0.00 C ATOM 1070 CD LYS A 75 -11.284 6.774 -14.106 1.00 0.00 C ATOM 1071 CE LYS A 75 -10.098 6.970 -15.032 1.00 0.00 C ATOM 1072 NZ LYS A 75 -10.451 6.698 -16.452 1.00 0.00 N ATOM 0 H LYS A 75 -10.259 7.988 -9.510 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.567 6.385 -9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.514 5.747 -12.013 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.830 7.464 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.571 8.021 -12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.059 6.349 -12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.681 5.767 -14.231 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.079 7.467 -14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.730 7.992 -14.939 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.286 6.310 -14.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.614 6.843 -17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.778 5.715 -16.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.208 7.345 -16.752 1.00 0.00 H new ATOM 1082 N GLU A 76 -9.361 5.938 -10.039 1.00 0.00 N ATOM 1083 CA GLU A 76 -8.308 4.935 -10.014 1.00 0.00 C ATOM 1084 C GLU A 76 -7.111 5.400 -9.213 1.00 0.00 C ATOM 1085 O GLU A 76 -6.370 6.274 -9.647 1.00 0.00 O ATOM 1086 CB GLU A 76 -7.866 4.603 -11.440 1.00 0.00 C ATOM 1087 CG GLU A 76 -8.825 3.689 -12.186 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.478 3.562 -13.653 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -7.307 3.275 -13.970 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -9.384 3.731 -14.495 1.00 0.00 O ATOM 0 H GLU A 76 -9.038 6.906 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.714 4.045 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.754 5.531 -12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.884 4.132 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.813 2.701 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.840 4.074 -12.088 1.00 0.00 H new ATOM 1095 N LEU A 77 -6.857 4.709 -8.122 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.670 4.931 -7.330 1.00 0.00 C ATOM 1097 C LEU A 77 -5.018 3.587 -7.023 1.00 0.00 C ATOM 1098 O LEU A 77 -5.592 2.757 -6.322 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.023 5.677 -6.040 1.00 0.00 C ATOM 1100 CG LEU A 77 -4.858 5.893 -5.068 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -3.789 6.775 -5.691 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -5.357 6.501 -3.767 1.00 0.00 C ATOM 0 H LEU A 77 -7.469 3.978 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.966 5.548 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.439 6.649 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.808 5.124 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.413 4.922 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.973 6.914 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.407 6.301 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.219 7.744 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.517 6.648 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.830 7.461 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.083 5.830 -3.307 1.00 0.00 H new ATOM 1113 N ILE A 78 -3.924 3.311 -7.711 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.299 1.995 -7.671 1.00 0.00 C ATOM 1115 C ILE A 78 -1.917 2.062 -7.031 1.00 0.00 C ATOM 1116 O ILE A 78 -1.121 2.930 -7.364 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.158 1.425 -9.097 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.502 1.470 -9.830 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.619 0.004 -9.052 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.401 1.119 -11.299 1.00 0.00 C ATOM 0 H ILE A 78 -3.445 3.984 -8.309 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.939 1.346 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.448 2.044 -9.646 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.194 0.780 -9.347 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.927 2.469 -9.732 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.526 -0.382 -10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.641 0.001 -8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.303 -0.627 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.390 1.171 -11.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.735 1.824 -11.797 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.005 0.109 -11.405 1.00 0.00 H new ATOM 1131 N ALA A 79 -1.591 1.080 -6.209 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.251 0.978 -5.654 1.00 0.00 C ATOM 1133 C ALA A 79 0.486 -0.176 -6.319 1.00 0.00 C ATOM 1134 O ALA A 79 -0.045 -1.282 -6.405 1.00 0.00 O ATOM 1135 CB ALA A 79 -0.311 0.780 -4.147 1.00 0.00 C ATOM 0 H ALA A 79 -2.232 0.344 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 79 0.289 1.905 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.701 0.706 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.820 1.628 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.857 -0.136 -3.922 1.00 0.00 H new ATOM 1141 N VAL A 80 1.675 0.094 -6.833 1.00 0.00 N ATOM 1142 CA VAL A 80 2.463 -0.923 -7.523 1.00 0.00 C ATOM 1143 C VAL A 80 3.935 -0.772 -7.168 1.00 0.00 C ATOM 1144 O VAL A 80 4.497 0.319 -7.295 1.00 0.00 O ATOM 1145 CB VAL A 80 2.314 -0.832 -9.066 1.00 0.00 C ATOM 1146 CG1 VAL A 80 3.187 -1.870 -9.757 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.863 -1.002 -9.491 1.00 0.00 C ATOM 0 H VAL A 80 2.120 1.011 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 80 2.087 -1.893 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 80 2.645 0.161 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.066 -1.787 -10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.231 -1.700 -9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.890 -2.868 -9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.791 -0.933 -10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.500 -1.976 -9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.257 -0.218 -9.037 1.00 0.00 H new ATOM 1157 N ARG A 81 4.562 -1.860 -6.738 1.00 0.00 N ATOM 1158 CA ARG A 81 5.978 -1.834 -6.418 1.00 0.00 C ATOM 1159 C ARG A 81 6.558 -3.235 -6.269 1.00 0.00 C ATOM 1160 O ARG A 81 5.907 -4.138 -5.750 1.00 0.00 O ATOM 1161 CB ARG A 81 6.236 -1.042 -5.138 1.00 0.00 C ATOM 1162 CG ARG A 81 7.713 -0.839 -4.862 1.00 0.00 C ATOM 1163 CD ARG A 81 8.358 0.040 -5.916 1.00 0.00 C ATOM 1164 NE ARG A 81 9.813 -0.101 -5.922 1.00 0.00 N ATOM 1165 CZ ARG A 81 10.618 0.475 -6.814 1.00 0.00 C ATOM 1166 NH1 ARG A 81 10.120 1.253 -7.769 1.00 0.00 N ATOM 1167 NH2 ARG A 81 11.924 0.257 -6.764 1.00 0.00 N ATOM 0 H ARG A 81 4.112 -2.766 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 81 6.476 -1.344 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.748 -0.070 -5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.782 -1.563 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.842 -0.385 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.216 -1.806 -4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.963 -0.220 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.094 1.082 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 81 10.239 -0.677 -5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.114 1.413 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.744 1.690 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.312 -0.351 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.541 0.697 -7.446 1.00 0.00 H new ATOM 1178 N GLU A 82 7.819 -3.378 -6.640 1.00 0.00 N ATOM 1179 CA GLU A 82 8.542 -4.613 -6.433 1.00 0.00 C ATOM 1180 C GLU A 82 9.511 -4.443 -5.261 1.00 0.00 C ATOM 1181 O GLU A 82 9.981 -3.337 -4.989 1.00 0.00 O ATOM 1182 CB GLU A 82 9.306 -5.012 -7.703 1.00 0.00 C ATOM 1183 CG GLU A 82 10.489 -4.103 -8.033 1.00 0.00 C ATOM 1184 CD GLU A 82 10.123 -2.928 -8.925 1.00 0.00 C ATOM 1185 OE1 GLU A 82 9.204 -2.160 -8.578 1.00 0.00 O ATOM 1186 OE2 GLU A 82 10.772 -2.757 -9.979 1.00 0.00 O ATOM 0 H GLU A 82 8.365 -2.643 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 82 7.832 -5.407 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.668 -6.034 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.614 -5.010 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.916 -3.724 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.264 -4.693 -8.523 1.00 0.00 H new ATOM 1191 N ILE A 83 9.785 -5.527 -4.554 1.00 0.00 N ATOM 1192 CA ILE A 83 10.689 -5.479 -3.413 1.00 0.00 C ATOM 1193 C ILE A 83 12.044 -6.064 -3.800 1.00 0.00 C ATOM 1194 O ILE A 83 12.148 -7.250 -4.124 1.00 0.00 O ATOM 1195 CB ILE A 83 10.132 -6.269 -2.201 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.798 -5.685 -1.726 1.00 0.00 C ATOM 1197 CG2 ILE A 83 11.133 -6.277 -1.054 1.00 0.00 C ATOM 1198 CD1 ILE A 83 7.598 -6.166 -2.514 1.00 0.00 C ATOM 0 H ILE A 83 9.396 -6.450 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 83 10.793 -4.433 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 83 9.963 -7.295 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.655 -5.939 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.847 -4.598 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.720 -6.837 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.060 -6.747 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.337 -5.253 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.693 -5.707 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 83 7.715 -5.888 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.520 -7.250 -2.433 1.00 0.00 H new ATOM 1209 N SER A 84 13.076 -5.234 -3.770 1.00 0.00 N ATOM 1210 CA SER A 84 14.418 -5.676 -4.123 1.00 0.00 C ATOM 1211 C SER A 84 15.266 -5.842 -2.863 1.00 0.00 C ATOM 1212 O SER A 84 15.298 -4.951 -2.017 1.00 0.00 O ATOM 1213 CB SER A 84 15.060 -4.661 -5.067 1.00 0.00 C ATOM 1214 OG SER A 84 14.172 -4.311 -6.120 1.00 0.00 O ATOM 0 H SER A 84 13.011 -4.251 -3.505 1.00 0.00 H new ATOM 0 HA SER A 84 14.358 -6.641 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.339 -3.767 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.978 -5.076 -5.483 1.00 0.00 H new ATOM 0 HG SER A 84 14.605 -3.659 -6.710 1.00 0.00 H new ATOM 1219 N GLY A 85 15.872 -7.019 -2.699 1.00 0.00 N ATOM 1220 CA GLY A 85 16.612 -7.307 -1.481 1.00 0.00 C ATOM 1221 C GLY A 85 15.721 -7.176 -0.266 1.00 0.00 C ATOM 1222 O GLY A 85 14.604 -7.698 -0.263 1.00 0.00 O ATOM 0 H GLY A 85 15.863 -7.774 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.022 -8.316 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.457 -6.624 -1.393 1.00 0.00 H new ATOM 1226 N ASN A 86 16.087 -6.285 0.643 1.00 0.00 N ATOM 1227 CA ASN A 86 15.153 -5.890 1.682 1.00 0.00 C ATOM 1228 C ASN A 86 15.060 -4.369 1.760 1.00 0.00 C ATOM 1229 O ASN A 86 15.848 -3.700 2.427 1.00 0.00 O ATOM 1230 CB ASN A 86 15.535 -6.501 3.044 1.00 0.00 C ATOM 1231 CG ASN A 86 17.023 -6.431 3.351 1.00 0.00 C ATOM 1232 OD1 ASN A 86 17.648 -7.587 3.503 1.00 0.00 O flip ATOM 1233 ND2 ASN A 86 17.603 -5.354 3.471 1.00 0.00 N flip ATOM 0 H ASN A 86 17.000 -5.833 0.683 1.00 0.00 H new ATOM 0 HA ASN A 86 14.169 -6.279 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.986 -5.984 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.217 -7.543 3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.089 -4.482 3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.598 -5.333 3.695 1.00 0.00 H new ATOM 1239 N GLU A 87 14.029 -3.853 1.116 1.00 0.00 N ATOM 1240 CA GLU A 87 13.687 -2.440 1.126 1.00 0.00 C ATOM 1241 C GLU A 87 12.324 -2.292 0.473 1.00 0.00 C ATOM 1242 O GLU A 87 11.835 -3.244 -0.140 1.00 0.00 O ATOM 1243 CB GLU A 87 14.752 -1.579 0.428 1.00 0.00 C ATOM 1244 CG GLU A 87 15.146 -2.050 -0.962 1.00 0.00 C ATOM 1245 CD GLU A 87 14.304 -1.444 -2.074 1.00 0.00 C ATOM 1246 OE1 GLU A 87 13.577 -0.462 -1.816 1.00 0.00 O ATOM 1247 OE2 GLU A 87 14.404 -1.919 -3.223 1.00 0.00 O ATOM 0 H GLU A 87 13.390 -4.418 0.557 1.00 0.00 H new ATOM 0 HA GLU A 87 13.652 -2.078 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.382 -0.556 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.644 -1.553 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.193 -1.804 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.062 -3.136 -1.005 1.00 0.00 H new ATOM 1252 N LEU A 88 11.690 -1.145 0.608 1.00 0.00 N ATOM 1253 CA LEU A 88 10.392 -0.962 -0.009 1.00 0.00 C ATOM 1254 C LEU A 88 10.177 0.474 -0.456 1.00 0.00 C ATOM 1255 O LEU A 88 10.052 1.379 0.365 1.00 0.00 O ATOM 1256 CB LEU A 88 9.264 -1.359 0.944 1.00 0.00 C ATOM 1257 CG LEU A 88 7.860 -1.246 0.345 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.569 -2.417 -0.576 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.812 -1.147 1.437 1.00 0.00 C ATOM 0 H LEU A 88 12.042 -0.341 1.128 1.00 0.00 H new ATOM 0 HA LEU A 88 10.373 -1.611 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.425 -2.387 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.318 -0.731 1.833 1.00 0.00 H new ATOM 0 HG LEU A 88 7.819 -0.331 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.566 -2.314 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.296 -2.431 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.636 -3.348 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.823 -1.068 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.855 -2.038 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.004 -0.264 2.047 1.00 0.00 H new ATOM 1270 N ILE A 89 9.898 0.624 -1.731 1.00 0.00 N ATOM 1271 CA ILE A 89 9.438 1.882 -2.273 1.00 0.00 C ATOM 1272 C ILE A 89 7.936 1.754 -2.501 1.00 0.00 C ATOM 1273 O ILE A 89 7.405 0.649 -2.449 1.00 0.00 O ATOM 1274 CB ILE A 89 10.174 2.220 -3.596 1.00 0.00 C ATOM 1275 CG1 ILE A 89 11.686 2.280 -3.353 1.00 0.00 C ATOM 1276 CG2 ILE A 89 9.683 3.534 -4.190 1.00 0.00 C ATOM 1277 CD1 ILE A 89 12.493 2.649 -4.582 1.00 0.00 C ATOM 0 H ILE A 89 9.984 -0.122 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 89 9.651 2.696 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 89 9.955 1.430 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.889 3.006 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 89 12.024 1.311 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.221 3.738 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.616 3.463 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.861 4.343 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.553 2.670 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.322 1.910 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.185 3.632 -4.938 1.00 0.00 H new ATOM 1288 N GLN A 90 7.229 2.857 -2.597 1.00 0.00 N ATOM 1289 CA GLN A 90 5.784 2.794 -2.725 1.00 0.00 C ATOM 1290 C GLN A 90 5.294 3.773 -3.781 1.00 0.00 C ATOM 1291 O GLN A 90 5.524 4.979 -3.675 1.00 0.00 O ATOM 1292 CB GLN A 90 5.131 3.094 -1.377 1.00 0.00 C ATOM 1293 CG GLN A 90 3.611 3.038 -1.396 1.00 0.00 C ATOM 1294 CD GLN A 90 3.070 1.662 -1.741 1.00 0.00 C ATOM 1295 OE1 GLN A 90 3.264 1.160 -2.849 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.379 1.048 -0.793 1.00 0.00 N ATOM 0 H GLN A 90 7.621 3.799 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 90 5.505 1.788 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.501 2.381 -0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.443 4.085 -1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.230 3.337 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.236 3.761 -2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.242 1.499 0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.984 0.124 -0.967 1.00 0.00 H new ATOM 1303 N THR A 91 4.614 3.248 -4.793 1.00 0.00 N ATOM 1304 CA THR A 91 4.086 4.074 -5.865 1.00 0.00 C ATOM 1305 C THR A 91 2.573 4.141 -5.797 1.00 0.00 C ATOM 1306 O THR A 91 1.895 3.124 -5.944 1.00 0.00 O ATOM 1307 CB THR A 91 4.463 3.522 -7.249 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.649 2.724 -7.154 1.00 0.00 O ATOM 1309 CG2 THR A 91 4.687 4.652 -8.241 1.00 0.00 C ATOM 0 H THR A 91 4.416 2.252 -4.891 1.00 0.00 H new ATOM 0 HA THR A 91 4.522 5.064 -5.733 1.00 0.00 H new ATOM 0 HB THR A 91 3.638 2.905 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.411 1.776 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.953 4.236 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.774 5.240 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.495 5.292 -7.887 1.00 0.00 H new ATOM 1317 N TYR A 92 2.057 5.350 -5.767 1.00 0.00 N ATOM 1318 CA TYR A 92 0.636 5.563 -5.897 1.00 0.00 C ATOM 1319 C TYR A 92 0.340 6.089 -7.287 1.00 0.00 C ATOM 1320 O TYR A 92 0.776 7.179 -7.657 1.00 0.00 O ATOM 1321 CB TYR A 92 0.117 6.548 -4.845 1.00 0.00 C ATOM 1322 CG TYR A 92 0.311 6.094 -3.416 1.00 0.00 C ATOM 1323 CD1 TYR A 92 1.542 6.221 -2.785 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -0.739 5.539 -2.699 1.00 0.00 C ATOM 1325 CE1 TYR A 92 1.718 5.814 -1.481 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -0.570 5.125 -1.392 1.00 0.00 C ATOM 1327 CZ TYR A 92 0.661 5.264 -0.788 1.00 0.00 C ATOM 1328 OH TYR A 92 0.832 4.869 0.519 1.00 0.00 O ATOM 0 H TYR A 92 2.605 6.203 -5.653 1.00 0.00 H new ATOM 0 HA TYR A 92 0.127 4.612 -5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.621 7.505 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.945 6.719 -5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.375 6.646 -3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.704 5.429 -3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.680 5.925 -1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.397 4.695 -0.847 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.010 4.503 0.863 1.00 0.00 H new ATOM 1337 N THR A 93 -0.347 5.288 -8.069 1.00 0.00 N ATOM 1338 CA THR A 93 -0.710 5.666 -9.414 1.00 0.00 C ATOM 1339 C THR A 93 -2.177 6.063 -9.455 1.00 0.00 C ATOM 1340 O THR A 93 -3.065 5.210 -9.451 1.00 0.00 O ATOM 1341 CB THR A 93 -0.472 4.506 -10.398 1.00 0.00 C ATOM 1342 OG1 THR A 93 0.826 3.941 -10.169 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.580 4.985 -11.840 1.00 0.00 C ATOM 0 H THR A 93 -0.668 4.360 -7.792 1.00 0.00 H new ATOM 0 HA THR A 93 -0.086 6.509 -9.711 1.00 0.00 H new ATOM 0 HB THR A 93 -1.237 3.748 -10.232 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.976 3.202 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.408 4.147 -12.516 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.576 5.393 -12.014 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.166 5.758 -12.023 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.426 7.355 -9.514 1.00 0.00 N ATOM 1352 CA TYR A 94 -3.779 7.855 -9.606 1.00 0.00 C ATOM 1353 C TYR A 94 -4.040 8.411 -10.995 1.00 0.00 C ATOM 1354 O TYR A 94 -3.365 9.344 -11.434 1.00 0.00 O ATOM 1355 CB TYR A 94 -4.051 8.935 -8.553 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.343 9.685 -8.801 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -6.563 9.018 -8.865 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.334 11.057 -9.011 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -7.734 9.700 -9.125 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -6.500 11.743 -9.279 1.00 0.00 C ATOM 1361 CZ TYR A 94 -7.695 11.061 -9.336 1.00 0.00 C ATOM 1362 OH TYR A 94 -8.856 11.740 -9.623 1.00 0.00 O ATOM 0 H TYR A 94 -1.706 8.078 -9.500 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.455 7.021 -9.417 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.088 8.473 -7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.222 9.643 -8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.594 7.950 -8.709 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.399 11.596 -8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.675 9.171 -9.163 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.476 12.810 -9.443 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.953 11.826 -10.594 1.00 0.00 H new ATOM 1371 N GLU A 95 -5.061 7.865 -11.646 1.00 0.00 N ATOM 1372 CA GLU A 95 -5.502 8.337 -12.952 1.00 0.00 C ATOM 1373 C GLU A 95 -4.336 8.376 -13.942 1.00 0.00 C ATOM 1374 O GLU A 95 -4.145 9.358 -14.660 1.00 0.00 O ATOM 1375 CB GLU A 95 -6.149 9.719 -12.809 1.00 0.00 C ATOM 1376 CG GLU A 95 -7.129 10.063 -13.919 1.00 0.00 C ATOM 1377 CD GLU A 95 -7.786 11.411 -13.715 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -8.460 11.603 -12.677 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -7.641 12.281 -14.597 1.00 0.00 O ATOM 0 H GLU A 95 -5.606 7.083 -11.283 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.243 7.642 -13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.669 9.768 -11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.364 10.475 -12.785 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.606 10.058 -14.875 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.898 9.292 -13.972 1.00 0.00 H new ATOM 1384 N GLY A 96 -3.576 7.288 -13.994 1.00 0.00 N ATOM 1385 CA GLY A 96 -2.478 7.191 -14.939 1.00 0.00 C ATOM 1386 C GLY A 96 -1.198 7.859 -14.463 1.00 0.00 C ATOM 1387 O GLY A 96 -0.144 7.687 -15.076 1.00 0.00 O ATOM 0 H GLY A 96 -3.701 6.470 -13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.275 6.139 -15.139 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.783 7.642 -15.883 1.00 0.00 H new ATOM 1391 N VAL A 97 -1.274 8.636 -13.392 1.00 0.00 N ATOM 1392 CA VAL A 97 -0.100 9.335 -12.883 1.00 0.00 C ATOM 1393 C VAL A 97 0.450 8.628 -11.656 1.00 0.00 C ATOM 1394 O VAL A 97 -0.232 8.518 -10.640 1.00 0.00 O ATOM 1395 CB VAL A 97 -0.420 10.785 -12.486 1.00 0.00 C ATOM 1396 CG1 VAL A 97 0.859 11.572 -12.246 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -1.286 11.461 -13.534 1.00 0.00 C ATOM 0 H VAL A 97 -2.130 8.799 -12.861 1.00 0.00 H new ATOM 0 HA VAL A 97 0.633 9.337 -13.690 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.984 10.762 -11.554 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.609 12.595 -11.966 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.428 11.105 -11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.457 11.581 -13.157 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.496 12.485 -13.227 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.761 11.469 -14.489 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.223 10.914 -13.640 1.00 0.00 H new ATOM 1407 N GLU A 98 1.688 8.168 -11.745 1.00 0.00 N ATOM 1408 CA GLU A 98 2.310 7.482 -10.629 1.00 0.00 C ATOM 1409 C GLU A 98 3.332 8.371 -9.930 1.00 0.00 C ATOM 1410 O GLU A 98 4.186 8.993 -10.569 1.00 0.00 O ATOM 1411 CB GLU A 98 2.963 6.172 -11.090 1.00 0.00 C ATOM 1412 CG GLU A 98 4.039 6.346 -12.150 1.00 0.00 C ATOM 1413 CD GLU A 98 4.705 5.038 -12.528 1.00 0.00 C ATOM 1414 OE1 GLU A 98 5.293 4.382 -11.642 1.00 0.00 O ATOM 1415 OE2 GLU A 98 4.646 4.658 -13.718 1.00 0.00 O ATOM 0 H GLU A 98 2.277 8.257 -12.573 1.00 0.00 H new ATOM 0 HA GLU A 98 1.526 7.244 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.400 5.674 -10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.189 5.512 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.597 6.795 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.795 7.041 -11.784 1.00 0.00 H new ATOM 1420 N ALA A 99 3.270 8.377 -8.613 1.00 0.00 N ATOM 1421 CA ALA A 99 4.230 9.092 -7.792 1.00 0.00 C ATOM 1422 C ALA A 99 4.710 8.169 -6.687 1.00 0.00 C ATOM 1423 O ALA A 99 3.923 7.381 -6.159 1.00 0.00 O ATOM 1424 CB ALA A 99 3.605 10.352 -7.211 1.00 0.00 C ATOM 0 H ALA A 99 2.552 7.886 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 99 5.079 9.398 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.340 10.874 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.280 11.004 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.747 10.082 -6.596 1.00 0.00 H new ATOM 1430 N LYS A 100 6.009 8.155 -6.430 1.00 0.00 N ATOM 1431 CA LYS A 100 6.563 7.200 -5.485 1.00 0.00 C ATOM 1432 C LYS A 100 7.582 7.830 -4.551 1.00 0.00 C ATOM 1433 O LYS A 100 8.417 8.639 -4.960 1.00 0.00 O ATOM 1434 CB LYS A 100 7.192 6.008 -6.215 1.00 0.00 C ATOM 1435 CG LYS A 100 8.249 6.380 -7.240 1.00 0.00 C ATOM 1436 CD LYS A 100 8.965 5.142 -7.753 1.00 0.00 C ATOM 1437 CE LYS A 100 10.006 5.484 -8.805 1.00 0.00 C ATOM 1438 NZ LYS A 100 9.387 5.901 -10.087 1.00 0.00 N ATOM 0 H LYS A 100 6.690 8.784 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 100 5.730 6.850 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.639 5.342 -5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.402 5.447 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.784 6.908 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.971 7.063 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.446 4.629 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.236 4.450 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.646 6.285 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.646 4.618 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.130 6.043 -10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.731 5.162 -10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.866 6.790 -9.948 1.00 0.00 H new ATOM 1448 N ARG A 101 7.552 7.373 -3.312 1.00 0.00 N ATOM 1449 CA ARG A 101 8.514 7.780 -2.303 1.00 0.00 C ATOM 1450 C ARG A 101 9.236 6.538 -1.799 1.00 0.00 C ATOM 1451 O ARG A 101 8.691 5.434 -1.878 1.00 0.00 O ATOM 1452 CB ARG A 101 7.802 8.505 -1.157 1.00 0.00 C ATOM 1453 CG ARG A 101 8.742 9.096 -0.118 1.00 0.00 C ATOM 1454 CD ARG A 101 7.965 9.800 0.979 1.00 0.00 C ATOM 1455 NE ARG A 101 8.835 10.324 2.030 1.00 0.00 N ATOM 1456 CZ ARG A 101 8.389 10.899 3.145 1.00 0.00 C ATOM 1457 NH1 ARG A 101 7.084 10.972 3.387 1.00 0.00 N ATOM 1458 NH2 ARG A 101 9.257 11.378 4.028 1.00 0.00 N ATOM 0 H ARG A 101 6.857 6.706 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 101 9.240 8.472 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.188 9.304 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 101 7.125 7.807 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.355 8.305 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.422 9.800 -0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.390 10.618 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 101 7.249 9.105 1.417 1.00 0.00 H new ATOM 0 HE ARG A 101 9.844 10.244 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.419 10.586 2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.748 11.414 4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.259 11.304 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.922 11.820 4.884 1.00 0.00 H new ATOM 1469 N ILE A 102 10.486 6.689 -1.390 1.00 0.00 N ATOM 1470 CA ILE A 102 11.301 5.535 -1.048 1.00 0.00 C ATOM 1471 C ILE A 102 11.378 5.336 0.464 1.00 0.00 C ATOM 1472 O ILE A 102 11.577 6.285 1.229 1.00 0.00 O ATOM 1473 CB ILE A 102 12.725 5.662 -1.665 1.00 0.00 C ATOM 1474 CG1 ILE A 102 13.625 4.463 -1.300 1.00 0.00 C ATOM 1475 CG2 ILE A 102 13.378 6.974 -1.252 1.00 0.00 C ATOM 1476 CD1 ILE A 102 14.419 4.623 -0.014 1.00 0.00 C ATOM 0 H ILE A 102 10.954 7.589 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 102 10.822 4.653 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 102 12.608 5.658 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 102 13.002 3.573 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.322 4.288 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.372 7.041 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 102 12.769 7.809 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.461 7.013 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.020 3.730 0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.074 5.490 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.734 4.764 0.822 1.00 0.00 H new ATOM 1487 N PHE A 103 11.198 4.089 0.877 1.00 0.00 N ATOM 1488 CA PHE A 103 11.259 3.701 2.276 1.00 0.00 C ATOM 1489 C PHE A 103 12.168 2.484 2.409 1.00 0.00 C ATOM 1490 O PHE A 103 12.587 1.910 1.402 1.00 0.00 O ATOM 1491 CB PHE A 103 9.862 3.385 2.822 1.00 0.00 C ATOM 1492 CG PHE A 103 8.847 4.460 2.549 1.00 0.00 C ATOM 1493 CD1 PHE A 103 8.871 5.652 3.254 1.00 0.00 C ATOM 1494 CD2 PHE A 103 7.873 4.280 1.578 1.00 0.00 C ATOM 1495 CE1 PHE A 103 7.944 6.643 2.998 1.00 0.00 C ATOM 1496 CE2 PHE A 103 6.944 5.268 1.319 1.00 0.00 C ATOM 1497 CZ PHE A 103 6.978 6.449 2.030 1.00 0.00 C ATOM 0 H PHE A 103 11.004 3.313 0.244 1.00 0.00 H new ATOM 0 HA PHE A 103 11.660 4.529 2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.514 2.450 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.930 3.227 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.623 5.808 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.841 3.357 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.974 7.568 3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.191 5.116 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.250 7.221 1.830 1.00 0.00 H new ATOM 1506 N LYS A 104 12.564 2.157 3.626 1.00 0.00 N ATOM 1507 CA LYS A 104 13.511 1.072 3.837 1.00 0.00 C ATOM 1508 C LYS A 104 13.245 0.337 5.149 1.00 0.00 C ATOM 1509 O LYS A 104 12.501 0.821 5.995 1.00 0.00 O ATOM 1510 CB LYS A 104 14.951 1.606 3.775 1.00 0.00 C ATOM 1511 CG LYS A 104 15.186 2.932 4.504 1.00 0.00 C ATOM 1512 CD LYS A 104 14.826 2.866 5.981 1.00 0.00 C ATOM 1513 CE LYS A 104 15.221 4.137 6.710 1.00 0.00 C ATOM 1514 NZ LYS A 104 14.851 4.079 8.150 1.00 0.00 N ATOM 0 H LYS A 104 12.249 2.621 4.478 1.00 0.00 H new ATOM 0 HA LYS A 104 13.378 0.345 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.619 0.855 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.231 1.730 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.233 3.216 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.596 3.714 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.754 2.703 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.325 2.013 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.296 4.292 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.733 4.992 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.073 4.989 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.833 3.888 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.388 3.320 8.616 1.00 0.00 H new ATOM 1524 N LYS A 105 13.844 -0.837 5.292 1.00 0.00 N ATOM 1525 CA LYS A 105 13.681 -1.664 6.486 1.00 0.00 C ATOM 1526 C LYS A 105 14.116 -0.910 7.745 1.00 0.00 C ATOM 1527 O LYS A 105 15.221 -0.372 7.810 1.00 0.00 O ATOM 1528 CB LYS A 105 14.494 -2.956 6.317 1.00 0.00 C ATOM 1529 CG LYS A 105 14.680 -3.772 7.588 1.00 0.00 C ATOM 1530 CD LYS A 105 13.361 -4.241 8.176 1.00 0.00 C ATOM 1531 CE LYS A 105 13.589 -5.108 9.406 1.00 0.00 C ATOM 1532 NZ LYS A 105 14.444 -4.429 10.419 1.00 0.00 N ATOM 0 H LYS A 105 14.457 -1.245 4.586 1.00 0.00 H new ATOM 0 HA LYS A 105 12.626 -1.912 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 105 14.003 -3.581 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 105 15.477 -2.700 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 105 15.306 -4.638 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 105 15.211 -3.172 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.751 -3.378 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 105 12.805 -4.805 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 105 12.628 -5.361 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 105 14.058 -6.045 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 14.409 -4.958 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 15.425 -4.393 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 14.096 -3.462 10.575 1.00 0.00 H new ATOM 1542 N GLU A 106 13.238 -0.881 8.739 1.00 0.00 N ATOM 1543 CA GLU A 106 13.517 -0.209 9.996 1.00 0.00 C ATOM 1544 C GLU A 106 13.957 -1.222 11.046 1.00 0.00 C ATOM 1545 O GLU A 106 15.052 -1.053 11.615 1.00 0.00 O ATOM 1546 CB GLU A 106 12.273 0.553 10.466 1.00 0.00 C ATOM 1547 CG GLU A 106 12.441 1.264 11.800 1.00 0.00 C ATOM 1548 CD GLU A 106 13.449 2.397 11.758 1.00 0.00 C ATOM 1549 OE1 GLU A 106 14.050 2.642 10.691 1.00 0.00 O ATOM 1550 OE2 GLU A 106 13.640 3.055 12.803 1.00 0.00 O ATOM 1551 OXT GLU A 106 13.223 -2.213 11.268 1.00 0.00 O ATOM 0 H GLU A 106 12.319 -1.320 8.695 1.00 0.00 H new ATOM 0 HA GLU A 106 14.327 0.505 9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.003 1.288 9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.440 -0.146 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.476 1.659 12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.752 0.539 12.553 1.00 0.00 H new TER 1556 GLU A 106