USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1016 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 119 MET CE :methyl -171:sc= 0 (180deg=-0.117) USER MOD Set 1.2: A 126 CYS SG : rot 166:sc= -0.398 USER MOD Set 1.3: A 128 GLN : amide:sc= 0 X(o=-0.4,f=-0.67) USER MOD Set 2.1: A 94 GLN : amide:sc= 1.02 K(o=2.3,f=-0.24) USER MOD Set 2.2: A 107 THR OG1 : rot -42:sc= 1.25 USER MOD Set 3.1: A 5 ASN : amide:sc= 0.507 K(o=0.53,f=-2.9) USER MOD Set 3.2: A 44 GLN : amide:sc= 0.0188 K(o=0.53,f=-0.22) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -176:sc= 0.833 (180deg=-0.0128) USER MOD Set 4.2: A 53 THR OG1 : rot 152:sc= 0.756 USER MOD Set 5.1: A 10 MET CE :methyl 155:sc= -0.968 (180deg=-2.25!) USER MOD Set 5.2: A 13 ASN : amide:sc= 0.459 X(o=-0.51,f=-0.99) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.535 K(o=0.53,f=-0.45) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.418 K(o=0.42,f=-3.6!) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0.902 (180deg=0.845) USER MOD Single : A 34 ASN : amide:sc= 0.274 K(o=0.27,f=-3.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 170:sc= -0.0225 (180deg=-0.15) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -48:sc= 0.705 USER MOD Single : A 59 ASN : amide:sc= 0.551 K(o=0.55,f=-6.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0126) USER MOD Single : A 82 CYS SG : rot 45:sc= 0 USER MOD Single : A 83 MET CE :methyl -159:sc= 0 (180deg=-0.00196) USER MOD Single : A 84 THR OG1 : rot 61:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot 111:sc= 0.854 USER MOD Single : A 87 SER OG : rot 9:sc= 0.724 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 174:sc= -2.24! USER MOD Single : A 97 GLN : amide:sc= 0.789 K(o=0.79,f=-4.5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 141:sc= 0.776 (180deg=0.0715) USER MOD Single : A 108 GLN : amide:sc= 0.00346 X(o=0.0035,f=-0.18) USER MOD Single : A 116 HIS : no HD1:sc=-0.00209 X(o=-0.0021,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00245) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.187 -2.481 -0.027 1.00 0.00 N ATOM 20 CA PRO A 1 4.450 -1.686 -0.009 1.00 0.00 C ATOM 21 C PRO A 1 5.354 -1.804 -1.292 1.00 0.00 C ATOM 22 O PRO A 1 5.046 -1.178 -2.308 1.00 0.00 O ATOM 23 CB PRO A 1 5.064 -2.158 1.333 1.00 0.00 C ATOM 24 CG PRO A 1 4.514 -3.565 1.573 1.00 0.00 C ATOM 25 CD PRO A 1 3.080 -3.441 1.078 1.00 0.00 C ATOM 0 H2 PRO A 1 3.124 -2.985 -0.912 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.392 -1.843 0.010 1.00 0.00 H new ATOM 0 HA PRO A 1 4.303 -0.607 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.153 -2.167 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 1 4.788 -1.487 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 1 5.072 -4.320 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.558 -3.845 2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.686 -4.400 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.414 -3.080 1.861 1.00 0.00 H new ATOM 33 N VAL A 2 6.489 -2.532 -1.251 1.00 0.00 N ATOM 34 CA VAL A 2 7.493 -2.568 -2.357 1.00 0.00 C ATOM 35 C VAL A 2 8.193 -3.968 -2.305 1.00 0.00 C ATOM 36 O VAL A 2 8.693 -4.402 -1.259 1.00 0.00 O ATOM 37 CB VAL A 2 8.569 -1.419 -2.294 1.00 0.00 C ATOM 38 CG1 VAL A 2 9.437 -1.341 -3.573 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.046 0.010 -2.044 1.00 0.00 C ATOM 0 H VAL A 2 6.744 -3.115 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 2 6.964 -2.406 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 2 9.142 -1.727 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.160 -0.532 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.965 -2.284 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.798 -1.152 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.885 0.706 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.361 0.292 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.523 0.044 -1.089 1.00 0.00 H new ATOM 49 N ASP A 3 8.304 -4.643 -3.462 1.00 0.00 N ATOM 50 CA ASP A 3 9.092 -5.898 -3.595 1.00 0.00 C ATOM 51 C ASP A 3 10.635 -5.615 -3.631 1.00 0.00 C ATOM 52 O ASP A 3 11.221 -5.487 -4.712 1.00 0.00 O ATOM 53 CB ASP A 3 8.531 -6.605 -4.862 1.00 0.00 C ATOM 54 CG ASP A 3 9.144 -7.958 -5.219 1.00 0.00 C ATOM 55 OD1 ASP A 3 8.549 -9.023 -5.095 1.00 0.00 O ATOM 56 OD2 ASP A 3 10.415 -7.830 -5.708 1.00 0.00 O ATOM 0 H ASP A 3 7.857 -4.344 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 3 8.985 -6.555 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.458 -6.742 -4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.664 -5.936 -5.712 1.00 0.00 H new ATOM 62 N PHE A 4 11.293 -5.602 -2.456 1.00 0.00 N ATOM 63 CA PHE A 4 12.778 -5.411 -2.360 1.00 0.00 C ATOM 64 C PHE A 4 13.707 -6.586 -2.863 1.00 0.00 C ATOM 65 O PHE A 4 14.930 -6.422 -2.860 1.00 0.00 O ATOM 66 CB PHE A 4 13.126 -4.983 -0.896 1.00 0.00 C ATOM 67 CG PHE A 4 12.779 -3.569 -0.356 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.046 -2.617 -1.076 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.274 -3.217 0.908 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.847 -1.336 -0.566 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.050 -1.943 1.428 1.00 0.00 C ATOM 72 CZ PHE A 4 12.334 -1.007 0.691 1.00 0.00 C ATOM 0 H PHE A 4 10.833 -5.720 -1.554 1.00 0.00 H new ATOM 0 HA PHE A 4 13.013 -4.630 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.643 -5.701 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.202 -5.112 -0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.630 -2.879 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.834 -3.939 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.314 -0.599 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.433 -1.683 2.404 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.156 -0.022 1.097 1.00 0.00 H new ATOM 82 N ASN A 5 13.160 -7.726 -3.333 1.00 0.00 N ATOM 83 CA ASN A 5 13.912 -8.885 -3.887 1.00 0.00 C ATOM 84 C ASN A 5 14.945 -8.547 -5.015 1.00 0.00 C ATOM 85 O ASN A 5 14.573 -7.973 -6.045 1.00 0.00 O ATOM 86 CB ASN A 5 12.862 -9.896 -4.442 1.00 0.00 C ATOM 87 CG ASN A 5 11.795 -10.402 -3.459 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.867 -9.695 -3.078 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.935 -11.603 -2.973 1.00 0.00 N ATOM 0 H ASN A 5 12.151 -7.876 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 5 14.513 -9.286 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.352 -9.427 -5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.398 -10.760 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.275 -11.952 -2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.705 -12.194 -3.287 1.00 0.00 H new ATOM 96 N GLY A 6 16.226 -8.917 -4.831 1.00 0.00 N ATOM 97 CA GLY A 6 17.261 -8.657 -5.865 1.00 0.00 C ATOM 98 C GLY A 6 18.726 -8.751 -5.398 1.00 0.00 C ATOM 99 O GLY A 6 19.032 -8.939 -4.218 1.00 0.00 O ATOM 0 H GLY A 6 16.571 -9.388 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.115 -9.364 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.095 -7.660 -6.274 1.00 0.00 H new ATOM 103 N TYR A 7 19.635 -8.575 -6.368 1.00 0.00 N ATOM 104 CA TYR A 7 21.095 -8.440 -6.107 1.00 0.00 C ATOM 105 C TYR A 7 21.526 -6.976 -6.444 1.00 0.00 C ATOM 106 O TYR A 7 21.333 -6.500 -7.570 1.00 0.00 O ATOM 107 CB TYR A 7 21.854 -9.508 -6.946 1.00 0.00 C ATOM 108 CG TYR A 7 23.248 -9.890 -6.423 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.375 -9.147 -6.784 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.408 -11.029 -5.625 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.642 -9.541 -6.364 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.675 -11.410 -5.187 1.00 0.00 C ATOM 113 CZ TYR A 7 25.790 -10.665 -5.556 1.00 0.00 C ATOM 114 OH TYR A 7 27.040 -11.032 -5.136 1.00 0.00 O ATOM 0 H TYR A 7 19.390 -8.521 -7.357 1.00 0.00 H new ATOM 0 HA TYR A 7 21.339 -8.620 -5.060 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.243 -10.409 -6.993 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.956 -9.138 -7.966 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.262 -8.262 -7.392 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.545 -11.616 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.511 -8.975 -6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.791 -12.283 -4.562 1.00 0.00 H new ATOM 0 HH TYR A 7 26.975 -11.836 -4.579 1.00 0.00 H new ATOM 124 N TRP A 8 22.073 -6.267 -5.449 1.00 0.00 N ATOM 125 CA TRP A 8 22.249 -4.790 -5.499 1.00 0.00 C ATOM 126 C TRP A 8 23.747 -4.405 -5.251 1.00 0.00 C ATOM 127 O TRP A 8 24.308 -4.782 -4.221 1.00 0.00 O ATOM 128 CB TRP A 8 21.348 -4.156 -4.398 1.00 0.00 C ATOM 129 CG TRP A 8 19.830 -4.402 -4.438 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.145 -5.502 -3.869 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.844 -3.586 -4.953 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.755 -5.409 -4.057 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.590 -4.209 -4.721 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.909 -2.317 -5.581 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.397 -3.575 -5.130 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.717 -1.711 -5.976 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.482 -2.333 -5.765 1.00 0.00 C ATOM 0 H TRP A 8 22.409 -6.689 -4.584 1.00 0.00 H new ATOM 0 HA TRP A 8 21.965 -4.418 -6.483 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.712 -4.508 -3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.507 -3.078 -4.425 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.632 -6.316 -3.352 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.036 -6.073 -3.770 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.859 -1.831 -5.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.438 -4.040 -4.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.748 -0.743 -6.454 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.578 -1.845 -6.099 1.00 0.00 H new ATOM 148 N LYS A 9 24.392 -3.626 -6.138 1.00 0.00 N ATOM 149 CA LYS A 9 25.809 -3.166 -5.947 1.00 0.00 C ATOM 150 C LYS A 9 25.914 -1.732 -5.332 1.00 0.00 C ATOM 151 O LYS A 9 25.170 -0.837 -5.743 1.00 0.00 O ATOM 152 CB LYS A 9 26.590 -3.281 -7.290 1.00 0.00 C ATOM 153 CG LYS A 9 26.199 -2.312 -8.436 1.00 0.00 C ATOM 154 CD LYS A 9 27.123 -2.423 -9.666 1.00 0.00 C ATOM 155 CE LYS A 9 26.692 -1.556 -10.866 1.00 0.00 C ATOM 156 NZ LYS A 9 26.861 -0.110 -10.606 1.00 0.00 N ATOM 0 H LYS A 9 23.965 -3.293 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 9 26.271 -3.827 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.649 -3.137 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.475 -4.300 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.173 -2.515 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.224 -1.288 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.134 -2.139 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.163 -3.465 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.277 -1.836 -11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.648 -1.760 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.558 0.431 -11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.282 0.165 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.862 0.092 -10.407 1.00 0.00 H new ATOM 169 N MET A 10 26.845 -1.475 -4.388 1.00 0.00 N ATOM 170 CA MET A 10 26.959 -0.132 -3.741 1.00 0.00 C ATOM 171 C MET A 10 27.603 0.966 -4.651 1.00 0.00 C ATOM 172 O MET A 10 28.700 0.799 -5.190 1.00 0.00 O ATOM 173 CB MET A 10 27.685 -0.249 -2.378 1.00 0.00 C ATOM 174 CG MET A 10 27.461 0.965 -1.444 1.00 0.00 C ATOM 175 SD MET A 10 27.719 0.507 0.281 1.00 0.00 S ATOM 176 CE MET A 10 29.373 1.136 0.585 1.00 0.00 C ATOM 0 H MET A 10 27.522 -2.161 -4.055 1.00 0.00 H new ATOM 0 HA MET A 10 25.939 0.213 -3.571 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.344 -1.152 -1.872 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.754 -0.367 -2.555 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.144 1.769 -1.717 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.449 1.348 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 10 29.497 1.334 1.650 1.00 0.00 H new ATOM 0 HE2 MET A 10 30.108 0.397 0.265 1.00 0.00 H new ATOM 0 HE3 MET A 10 29.520 2.060 0.025 1.00 0.00 H new ATOM 186 N LEU A 11 26.910 2.108 -4.766 1.00 0.00 N ATOM 187 CA LEU A 11 27.424 3.323 -5.458 1.00 0.00 C ATOM 188 C LEU A 11 28.196 4.310 -4.517 1.00 0.00 C ATOM 189 O LEU A 11 29.283 4.762 -4.881 1.00 0.00 O ATOM 190 CB LEU A 11 26.238 4.048 -6.164 1.00 0.00 C ATOM 191 CG LEU A 11 25.474 3.308 -7.296 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.349 4.210 -7.834 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.382 2.885 -8.464 1.00 0.00 C ATOM 0 H LEU A 11 25.972 2.226 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 11 28.158 2.989 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.512 4.316 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.622 4.980 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 11 25.068 2.397 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.814 3.690 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.657 4.449 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.778 5.131 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.787 2.373 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.845 3.769 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.158 2.213 -8.097 1.00 0.00 H new ATOM 205 N SER A 12 27.625 4.691 -3.353 1.00 0.00 N ATOM 206 CA SER A 12 28.228 5.701 -2.432 1.00 0.00 C ATOM 207 C SER A 12 28.084 5.334 -0.917 1.00 0.00 C ATOM 208 O SER A 12 27.159 4.625 -0.506 1.00 0.00 O ATOM 209 CB SER A 12 27.623 7.096 -2.745 1.00 0.00 C ATOM 210 OG SER A 12 26.225 7.160 -2.461 1.00 0.00 O ATOM 0 H SER A 12 26.738 4.314 -3.020 1.00 0.00 H new ATOM 0 HA SER A 12 29.303 5.715 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.145 7.854 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.789 7.333 -3.796 1.00 0.00 H new ATOM 0 HG SER A 12 25.889 8.056 -2.672 1.00 0.00 H new ATOM 216 N ASN A 13 29.004 5.863 -0.088 1.00 0.00 N ATOM 217 CA ASN A 13 28.957 5.746 1.400 1.00 0.00 C ATOM 218 C ASN A 13 29.284 7.115 2.083 1.00 0.00 C ATOM 219 O ASN A 13 30.404 7.372 2.536 1.00 0.00 O ATOM 220 CB ASN A 13 29.833 4.557 1.892 1.00 0.00 C ATOM 221 CG ASN A 13 31.290 4.434 1.398 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.936 5.374 0.948 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.864 3.260 1.469 1.00 0.00 N ATOM 0 H ASN A 13 29.810 6.389 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 13 27.940 5.506 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.859 4.599 2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.317 3.636 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.827 3.143 1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.348 2.462 1.839 1.00 0.00 H new ATOM 230 N GLU A 14 28.279 8.003 2.171 1.00 0.00 N ATOM 231 CA GLU A 14 28.453 9.387 2.683 1.00 0.00 C ATOM 232 C GLU A 14 28.257 9.416 4.228 1.00 0.00 C ATOM 233 O GLU A 14 27.188 9.055 4.730 1.00 0.00 O ATOM 234 CB GLU A 14 27.443 10.278 1.911 1.00 0.00 C ATOM 235 CG GLU A 14 27.518 11.794 2.221 1.00 0.00 C ATOM 236 CD GLU A 14 26.506 12.617 1.427 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.331 12.757 1.754 1.00 0.00 O ATOM 238 OE2 GLU A 14 27.052 13.178 0.313 1.00 0.00 O ATOM 0 H GLU A 14 27.322 7.789 1.891 1.00 0.00 H new ATOM 0 HA GLU A 14 29.460 9.769 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.602 10.135 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.434 9.929 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.349 11.950 3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.523 12.155 2.002 1.00 0.00 H new ATOM 246 N ASN A 15 29.297 9.833 4.980 1.00 0.00 N ATOM 247 CA ASN A 15 29.296 9.825 6.484 1.00 0.00 C ATOM 248 C ASN A 15 29.295 8.410 7.190 1.00 0.00 C ATOM 249 O ASN A 15 28.974 8.298 8.378 1.00 0.00 O ATOM 250 CB ASN A 15 28.231 10.852 6.985 1.00 0.00 C ATOM 251 CG ASN A 15 28.414 11.418 8.392 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.507 11.767 8.823 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.344 11.595 9.124 1.00 0.00 N ATOM 0 H ASN A 15 30.165 10.186 4.577 1.00 0.00 H new ATOM 0 HA ASN A 15 30.278 10.159 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.212 11.687 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.253 10.374 6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.423 12.021 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.431 11.307 8.771 1.00 0.00 H new ATOM 260 N PHE A 16 29.734 7.340 6.490 1.00 0.00 N ATOM 261 CA PHE A 16 29.823 5.961 7.053 1.00 0.00 C ATOM 262 C PHE A 16 30.923 5.741 8.149 1.00 0.00 C ATOM 263 O PHE A 16 30.589 5.216 9.214 1.00 0.00 O ATOM 264 CB PHE A 16 29.865 4.987 5.842 1.00 0.00 C ATOM 265 CG PHE A 16 29.759 3.478 6.129 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.711 2.956 6.898 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.681 2.601 5.551 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.611 1.583 7.110 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.562 1.227 5.740 1.00 0.00 C ATOM 270 CZ PHE A 16 29.531 0.719 6.524 1.00 0.00 C ATOM 0 H PHE A 16 30.038 7.401 5.518 1.00 0.00 H new ATOM 0 HA PHE A 16 28.940 5.753 7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.053 5.257 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.797 5.161 5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 16 27.977 3.621 7.329 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.491 2.992 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.819 1.189 7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 16 31.270 0.555 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.445 -0.346 6.678 1.00 0.00 H new ATOM 280 N GLU A 17 32.181 6.193 7.956 1.00 0.00 N ATOM 281 CA GLU A 17 33.203 6.301 9.052 1.00 0.00 C ATOM 282 C GLU A 17 32.749 6.956 10.407 1.00 0.00 C ATOM 283 O GLU A 17 33.066 6.417 11.473 1.00 0.00 O ATOM 284 CB GLU A 17 34.464 7.020 8.484 1.00 0.00 C ATOM 285 CG GLU A 17 35.506 6.082 7.833 1.00 0.00 C ATOM 286 CD GLU A 17 36.632 6.813 7.106 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.466 7.517 7.666 1.00 0.00 O ATOM 288 OE2 GLU A 17 36.613 6.595 5.762 1.00 0.00 O ATOM 0 H GLU A 17 32.528 6.495 7.046 1.00 0.00 H new ATOM 0 HA GLU A 17 33.407 5.272 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.144 7.754 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 17 34.946 7.571 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.939 5.446 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.998 5.426 7.127 1.00 0.00 H new ATOM 296 N GLU A 18 32.012 8.085 10.383 1.00 0.00 N ATOM 297 CA GLU A 18 31.408 8.681 11.607 1.00 0.00 C ATOM 298 C GLU A 18 30.231 7.854 12.236 1.00 0.00 C ATOM 299 O GLU A 18 30.220 7.657 13.453 1.00 0.00 O ATOM 300 CB GLU A 18 31.011 10.138 11.252 1.00 0.00 C ATOM 301 CG GLU A 18 30.759 11.069 12.460 1.00 0.00 C ATOM 302 CD GLU A 18 32.017 11.547 13.186 1.00 0.00 C ATOM 303 OE1 GLU A 18 32.643 10.864 13.990 1.00 0.00 O ATOM 304 OE2 GLU A 18 32.363 12.819 12.843 1.00 0.00 O ATOM 0 H GLU A 18 31.816 8.609 9.530 1.00 0.00 H new ATOM 0 HA GLU A 18 32.147 8.666 12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.800 10.572 10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.109 10.112 10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.203 11.942 12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.123 10.547 13.174 1.00 0.00 H new ATOM 312 N TYR A 19 29.271 7.344 11.434 1.00 0.00 N ATOM 313 CA TYR A 19 28.280 6.312 11.879 1.00 0.00 C ATOM 314 C TYR A 19 28.903 5.027 12.530 1.00 0.00 C ATOM 315 O TYR A 19 28.453 4.610 13.599 1.00 0.00 O ATOM 316 CB TYR A 19 27.353 6.025 10.660 1.00 0.00 C ATOM 317 CG TYR A 19 26.427 4.797 10.754 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.239 4.840 11.489 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.831 3.589 10.173 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.473 3.686 11.646 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.056 2.442 10.320 1.00 0.00 C ATOM 322 CZ TYR A 19 24.878 2.492 11.057 1.00 0.00 C ATOM 323 OH TYR A 19 24.105 1.371 11.198 1.00 0.00 O ATOM 0 H TYR A 19 29.153 7.628 10.462 1.00 0.00 H new ATOM 0 HA TYR A 19 27.699 6.706 12.713 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.732 6.905 10.493 1.00 0.00 H new ATOM 0 HB3 TYR A 19 27.982 5.907 9.778 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.914 5.768 11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.750 3.547 9.607 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.563 3.719 12.226 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.369 1.515 9.863 1.00 0.00 H new ATOM 0 HH TYR A 19 24.526 0.622 10.727 1.00 0.00 H new ATOM 333 N LEU A 20 29.932 4.421 11.914 1.00 0.00 N ATOM 334 CA LEU A 20 30.729 3.339 12.553 1.00 0.00 C ATOM 335 C LEU A 20 31.475 3.761 13.870 1.00 0.00 C ATOM 336 O LEU A 20 31.415 3.009 14.845 1.00 0.00 O ATOM 337 CB LEU A 20 31.688 2.731 11.494 1.00 0.00 C ATOM 338 CG LEU A 20 31.078 1.999 10.267 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.193 1.627 9.275 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.293 0.729 10.643 1.00 0.00 C ATOM 0 H LEU A 20 30.239 4.657 10.970 1.00 0.00 H new ATOM 0 HA LEU A 20 30.028 2.578 12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.319 3.537 11.118 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.343 2.027 12.007 1.00 0.00 H new ATOM 0 HG LEU A 20 30.370 2.693 9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.760 1.114 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.699 2.533 8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.912 0.971 9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.894 0.267 9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.957 0.027 11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.471 0.993 11.309 1.00 0.00 H new ATOM 352 N ARG A 21 32.097 4.960 13.956 1.00 0.00 N ATOM 353 CA ARG A 21 32.565 5.534 15.259 1.00 0.00 C ATOM 354 C ARG A 21 31.455 5.696 16.361 1.00 0.00 C ATOM 355 O ARG A 21 31.661 5.273 17.501 1.00 0.00 O ATOM 356 CB ARG A 21 33.305 6.876 15.000 1.00 0.00 C ATOM 357 CG ARG A 21 34.351 7.233 16.087 1.00 0.00 C ATOM 358 CD ARG A 21 35.097 8.561 15.847 1.00 0.00 C ATOM 359 NE ARG A 21 34.224 9.748 16.069 1.00 0.00 N ATOM 360 CZ ARG A 21 34.041 10.371 17.233 1.00 0.00 C ATOM 361 NH1 ARG A 21 34.627 10.031 18.362 1.00 0.00 N ATOM 362 NH2 ARG A 21 33.222 11.386 17.252 1.00 0.00 N ATOM 0 H ARG A 21 32.290 5.553 13.149 1.00 0.00 H new ATOM 0 HA ARG A 21 33.249 4.798 15.682 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.804 6.824 14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.571 7.679 14.938 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.849 7.283 17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.082 6.427 16.148 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.958 8.617 16.513 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.481 8.581 14.827 1.00 0.00 H new ATOM 0 HE ARG A 21 33.723 10.116 15.260 1.00 0.00 H new ATOM 0 HH11 ARG A 21 35.272 9.241 18.384 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.436 10.558 19.214 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.749 11.676 16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.054 11.890 18.123 1.00 0.00 H new ATOM 376 N ALA A 22 30.269 6.230 16.005 1.00 0.00 N ATOM 377 CA ALA A 22 29.046 6.158 16.849 1.00 0.00 C ATOM 378 C ALA A 22 28.518 4.739 17.252 1.00 0.00 C ATOM 379 O ALA A 22 27.883 4.627 18.301 1.00 0.00 O ATOM 380 CB ALA A 22 27.965 6.957 16.098 1.00 0.00 C ATOM 0 H ALA A 22 30.126 6.725 15.125 1.00 0.00 H new ATOM 0 HA ALA A 22 29.311 6.571 17.822 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.038 6.941 16.670 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.296 7.988 15.972 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.795 6.508 15.119 1.00 0.00 H new ATOM 386 N LEU A 23 28.806 3.670 16.481 1.00 0.00 N ATOM 387 CA LEU A 23 28.635 2.260 16.940 1.00 0.00 C ATOM 388 C LEU A 23 29.886 1.632 17.657 1.00 0.00 C ATOM 389 O LEU A 23 29.999 0.406 17.727 1.00 0.00 O ATOM 390 CB LEU A 23 28.224 1.422 15.694 1.00 0.00 C ATOM 391 CG LEU A 23 26.838 1.708 15.065 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.697 0.906 13.762 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.672 1.359 16.012 1.00 0.00 C ATOM 0 H LEU A 23 29.162 3.750 15.528 1.00 0.00 H new ATOM 0 HA LEU A 23 27.868 2.252 17.714 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.980 1.572 14.924 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.256 0.368 15.972 1.00 0.00 H new ATOM 0 HG LEU A 23 26.784 2.779 14.867 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.722 1.105 13.316 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.482 1.202 13.066 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.787 -0.159 13.978 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.725 1.579 15.520 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.712 0.299 16.263 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.754 1.951 16.923 1.00 0.00 H new ATOM 405 N ASP A 24 30.817 2.438 18.210 1.00 0.00 N ATOM 406 CA ASP A 24 32.045 1.949 18.927 1.00 0.00 C ATOM 407 C ASP A 24 33.126 1.205 18.053 1.00 0.00 C ATOM 408 O ASP A 24 34.001 0.524 18.599 1.00 0.00 O ATOM 409 CB ASP A 24 31.705 1.132 20.215 1.00 0.00 C ATOM 410 CG ASP A 24 30.668 1.732 21.165 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.857 2.735 21.846 1.00 0.00 O ATOM 412 OD2 ASP A 24 29.500 1.030 21.147 1.00 0.00 O ATOM 0 H ASP A 24 30.750 3.455 18.179 1.00 0.00 H new ATOM 0 HA ASP A 24 32.530 2.881 19.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.353 0.147 19.908 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.629 0.981 20.774 1.00 0.00 H new ATOM 418 N VAL A 25 33.095 1.320 16.711 1.00 0.00 N ATOM 419 CA VAL A 25 33.897 0.446 15.803 1.00 0.00 C ATOM 420 C VAL A 25 35.362 0.982 15.692 1.00 0.00 C ATOM 421 O VAL A 25 35.604 2.183 15.529 1.00 0.00 O ATOM 422 CB VAL A 25 33.166 0.297 14.422 1.00 0.00 C ATOM 423 CG1 VAL A 25 33.937 -0.530 13.368 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.757 -0.342 14.529 1.00 0.00 C ATOM 0 H VAL A 25 32.524 2.009 16.221 1.00 0.00 H new ATOM 0 HA VAL A 25 33.976 -0.559 16.217 1.00 0.00 H new ATOM 0 HB VAL A 25 33.098 1.335 14.097 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.356 -0.579 12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.898 -0.057 13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.102 -1.539 13.747 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.313 -0.413 13.536 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.842 -1.339 14.961 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.124 0.276 15.166 1.00 0.00 H new ATOM 434 N ASN A 26 36.344 0.065 15.756 1.00 0.00 N ATOM 435 CA ASN A 26 37.789 0.415 15.666 1.00 0.00 C ATOM 436 C ASN A 26 38.233 1.080 14.315 1.00 0.00 C ATOM 437 O ASN A 26 37.649 0.837 13.254 1.00 0.00 O ATOM 438 CB ASN A 26 38.627 -0.843 16.045 1.00 0.00 C ATOM 439 CG ASN A 26 38.649 -2.001 15.035 1.00 0.00 C ATOM 440 OD1 ASN A 26 39.247 -1.917 13.968 1.00 0.00 O ATOM 441 ND2 ASN A 26 38.008 -3.107 15.323 1.00 0.00 N ATOM 0 H ASN A 26 36.170 -0.933 15.870 1.00 0.00 H new ATOM 0 HA ASN A 26 37.982 1.212 16.384 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.655 -0.525 16.217 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.250 -1.228 16.992 1.00 0.00 H new ATOM 0 HD21 ASN A 26 38.011 -3.885 14.663 1.00 0.00 H new ATOM 0 HD22 ASN A 26 37.506 -3.190 16.207 1.00 0.00 H new ATOM 448 N VAL A 27 39.300 1.895 14.366 1.00 0.00 N ATOM 449 CA VAL A 27 39.815 2.661 13.181 1.00 0.00 C ATOM 450 C VAL A 27 40.235 1.781 11.944 1.00 0.00 C ATOM 451 O VAL A 27 39.927 2.165 10.812 1.00 0.00 O ATOM 452 CB VAL A 27 40.885 3.709 13.659 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.529 4.531 12.516 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.311 4.749 14.660 1.00 0.00 C ATOM 0 H VAL A 27 39.839 2.052 15.218 1.00 0.00 H new ATOM 0 HA VAL A 27 38.979 3.217 12.756 1.00 0.00 H new ATOM 0 HB VAL A 27 41.637 3.076 14.131 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.254 5.229 12.934 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.032 3.857 11.822 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.755 5.086 11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.097 5.445 14.953 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.498 5.299 14.187 1.00 0.00 H new ATOM 0 HG23 VAL A 27 39.935 4.234 15.544 1.00 0.00 H new ATOM 464 N ALA A 28 40.858 0.599 12.136 1.00 0.00 N ATOM 465 CA ALA A 28 41.045 -0.399 11.046 1.00 0.00 C ATOM 466 C ALA A 28 39.729 -0.884 10.343 1.00 0.00 C ATOM 467 O ALA A 28 39.602 -0.696 9.132 1.00 0.00 O ATOM 468 CB ALA A 28 41.898 -1.549 11.617 1.00 0.00 C ATOM 0 H ALA A 28 41.243 0.307 13.034 1.00 0.00 H new ATOM 0 HA ALA A 28 41.564 0.087 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.057 -2.302 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.861 -1.159 11.947 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.380 -2.000 12.463 1.00 0.00 H new ATOM 474 N LEU A 29 38.734 -1.422 11.079 1.00 0.00 N ATOM 475 CA LEU A 29 37.369 -1.705 10.535 1.00 0.00 C ATOM 476 C LEU A 29 36.606 -0.487 9.905 1.00 0.00 C ATOM 477 O LEU A 29 36.036 -0.640 8.823 1.00 0.00 O ATOM 478 CB LEU A 29 36.532 -2.413 11.647 1.00 0.00 C ATOM 479 CG LEU A 29 36.538 -3.964 11.717 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.748 -4.593 10.555 1.00 0.00 C ATOM 481 CD2 LEU A 29 37.944 -4.585 11.808 1.00 0.00 C ATOM 0 H LEU A 29 38.842 -1.675 12.061 1.00 0.00 H new ATOM 0 HA LEU A 29 37.510 -2.359 9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.879 -2.038 12.610 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.496 -2.092 11.535 1.00 0.00 H new ATOM 0 HG LEU A 29 36.036 -4.201 12.655 1.00 0.00 H new ATOM 0 HD11 LEU A 29 35.777 -5.679 10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.713 -4.253 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.194 -4.292 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.860 -5.671 11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.524 -4.302 10.930 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.445 -4.222 12.706 1.00 0.00 H new ATOM 493 N ARG A 30 36.624 0.707 10.531 1.00 0.00 N ATOM 494 CA ARG A 30 36.151 1.981 9.904 1.00 0.00 C ATOM 495 C ARG A 30 36.761 2.325 8.501 1.00 0.00 C ATOM 496 O ARG A 30 36.007 2.559 7.551 1.00 0.00 O ATOM 497 CB ARG A 30 36.403 3.147 10.898 1.00 0.00 C ATOM 498 CG ARG A 30 35.518 3.201 12.165 1.00 0.00 C ATOM 499 CD ARG A 30 35.893 4.330 13.145 1.00 0.00 C ATOM 500 NE ARG A 30 35.666 5.680 12.564 1.00 0.00 N ATOM 501 CZ ARG A 30 36.602 6.552 12.202 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.893 6.317 12.231 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.208 7.720 11.781 1.00 0.00 N ATOM 0 H ARG A 30 36.965 0.827 11.485 1.00 0.00 H new ATOM 0 HA ARG A 30 35.090 1.835 9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.445 3.101 11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.276 4.085 10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.478 3.326 11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.587 2.245 12.685 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.306 4.226 14.057 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.941 4.230 13.427 1.00 0.00 H new ATOM 0 HE ARG A 30 34.696 5.965 12.430 1.00 0.00 H new ATOM 0 HH11 ARG A 30 38.240 5.412 12.548 1.00 0.00 H new ATOM 0 HH12 ARG A 30 38.550 7.040 11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.212 7.938 11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.895 8.417 11.494 1.00 0.00 H new ATOM 517 N LYS A 31 38.102 2.338 8.367 1.00 0.00 N ATOM 518 CA LYS A 31 38.790 2.524 7.057 1.00 0.00 C ATOM 519 C LYS A 31 38.580 1.344 6.047 1.00 0.00 C ATOM 520 O LYS A 31 38.221 1.607 4.900 1.00 0.00 O ATOM 521 CB LYS A 31 40.292 2.849 7.309 1.00 0.00 C ATOM 522 CG LYS A 31 40.663 4.338 7.533 1.00 0.00 C ATOM 523 CD LYS A 31 39.967 5.029 8.727 1.00 0.00 C ATOM 524 CE LYS A 31 40.589 6.365 9.172 1.00 0.00 C ATOM 525 NZ LYS A 31 40.332 7.452 8.208 1.00 0.00 N ATOM 0 H LYS A 31 38.742 2.221 9.153 1.00 0.00 H new ATOM 0 HA LYS A 31 38.322 3.371 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.619 2.284 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.865 2.482 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 31 41.741 4.407 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.424 4.893 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 38.923 5.203 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.974 4.344 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.187 6.644 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.665 6.239 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.650 8.356 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.851 7.264 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.313 7.503 8.005 1.00 0.00 H new ATOM 538 N ILE A 32 38.748 0.068 6.454 1.00 0.00 N ATOM 539 CA ILE A 32 38.446 -1.131 5.600 1.00 0.00 C ATOM 540 C ILE A 32 36.971 -1.146 5.048 1.00 0.00 C ATOM 541 O ILE A 32 36.787 -1.209 3.829 1.00 0.00 O ATOM 542 CB ILE A 32 38.893 -2.444 6.356 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.437 -2.523 6.590 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.440 -3.757 5.663 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.884 -3.505 7.690 1.00 0.00 C ATOM 0 H ILE A 32 39.096 -0.174 7.382 1.00 0.00 H new ATOM 0 HA ILE A 32 39.039 -1.075 4.687 1.00 0.00 H new ATOM 0 HB ILE A 32 38.382 -2.363 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.916 -2.809 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.801 -1.528 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.786 -4.613 6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.352 -3.778 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.864 -3.804 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.971 -3.486 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.441 -3.212 8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.557 -4.513 7.433 1.00 0.00 H new ATOM 557 N ALA A 33 35.939 -1.051 5.911 1.00 0.00 N ATOM 558 CA ALA A 33 34.520 -0.976 5.470 1.00 0.00 C ATOM 559 C ALA A 33 34.092 0.258 4.609 1.00 0.00 C ATOM 560 O ALA A 33 33.306 0.090 3.673 1.00 0.00 O ATOM 561 CB ALA A 33 33.655 -1.125 6.737 1.00 0.00 C ATOM 0 H ALA A 33 36.057 -1.024 6.924 1.00 0.00 H new ATOM 0 HA ALA A 33 34.370 -1.784 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.600 -1.076 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.864 -2.085 7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.888 -0.319 7.433 1.00 0.00 H new ATOM 567 N ASN A 34 34.603 1.472 4.887 1.00 0.00 N ATOM 568 CA ASN A 34 34.394 2.656 4.000 1.00 0.00 C ATOM 569 C ASN A 34 35.215 2.671 2.661 1.00 0.00 C ATOM 570 O ASN A 34 34.772 3.312 1.704 1.00 0.00 O ATOM 571 CB ASN A 34 34.582 3.934 4.865 1.00 0.00 C ATOM 572 CG ASN A 34 33.883 5.235 4.433 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.113 5.830 5.179 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.133 5.758 3.260 1.00 0.00 N ATOM 0 H ASN A 34 35.164 1.669 5.715 1.00 0.00 H new ATOM 0 HA ASN A 34 33.376 2.605 3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.247 3.700 5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.651 4.138 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 34 33.692 6.637 2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 34 34.769 5.287 2.617 1.00 0.00 H new ATOM 581 N LEU A 35 36.361 1.975 2.556 1.00 0.00 N ATOM 582 CA LEU A 35 37.050 1.740 1.251 1.00 0.00 C ATOM 583 C LEU A 35 36.358 0.703 0.303 1.00 0.00 C ATOM 584 O LEU A 35 36.376 0.904 -0.914 1.00 0.00 O ATOM 585 CB LEU A 35 38.538 1.359 1.509 1.00 0.00 C ATOM 586 CG LEU A 35 39.469 2.486 2.035 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.791 1.891 2.549 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.772 3.549 0.964 1.00 0.00 C ATOM 0 H LEU A 35 36.840 1.560 3.355 1.00 0.00 H new ATOM 0 HA LEU A 35 36.984 2.682 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.559 0.539 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.958 0.979 0.578 1.00 0.00 H new ATOM 0 HG LEU A 35 38.937 2.977 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.433 2.693 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.585 1.193 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.293 1.365 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.426 4.313 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.264 3.078 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.841 4.010 0.635 1.00 0.00 H new ATOM 600 N LEU A 36 35.781 -0.396 0.827 1.00 0.00 N ATOM 601 CA LEU A 36 35.122 -1.441 -0.010 1.00 0.00 C ATOM 602 C LEU A 36 33.635 -1.113 -0.382 1.00 0.00 C ATOM 603 O LEU A 36 32.872 -0.572 0.426 1.00 0.00 O ATOM 604 CB LEU A 36 35.376 -2.852 0.595 1.00 0.00 C ATOM 605 CG LEU A 36 34.645 -3.202 1.914 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.261 -3.828 1.670 1.00 0.00 C ATOM 607 CD2 LEU A 36 35.473 -4.161 2.787 1.00 0.00 C ATOM 0 H LEU A 36 35.753 -0.591 1.828 1.00 0.00 H new ATOM 0 HA LEU A 36 35.596 -1.445 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 36 35.097 -3.595 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.447 -2.958 0.765 1.00 0.00 H new ATOM 0 HG LEU A 36 34.514 -2.254 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 36 32.790 -4.055 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 36 32.637 -3.127 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.374 -4.747 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 36 34.926 -4.383 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.654 -5.086 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.426 -3.695 3.037 1.00 0.00 H new ATOM 619 N LYS A 37 33.218 -1.489 -1.605 1.00 0.00 N ATOM 620 CA LYS A 37 31.804 -1.365 -2.062 1.00 0.00 C ATOM 621 C LYS A 37 31.127 -2.784 -2.052 1.00 0.00 C ATOM 622 O LYS A 37 31.398 -3.562 -2.974 1.00 0.00 O ATOM 623 CB LYS A 37 31.751 -0.674 -3.457 1.00 0.00 C ATOM 624 CG LYS A 37 32.183 0.814 -3.532 1.00 0.00 C ATOM 625 CD LYS A 37 31.280 1.793 -2.747 1.00 0.00 C ATOM 626 CE LYS A 37 31.663 3.277 -2.885 1.00 0.00 C ATOM 627 NZ LYS A 37 32.909 3.603 -2.156 1.00 0.00 N ATOM 0 H LYS A 37 33.841 -1.886 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 37 31.238 -0.731 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.382 -1.243 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.730 -0.748 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.202 0.901 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.202 1.120 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.251 1.665 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.306 1.522 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.787 3.522 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 37 30.850 3.897 -2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 33.128 4.612 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.784 3.395 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 33.692 3.031 -2.533 1.00 0.00 H new ATOM 640 N PRO A 38 30.276 -3.189 -1.058 1.00 0.00 N ATOM 641 CA PRO A 38 29.686 -4.552 -1.009 1.00 0.00 C ATOM 642 C PRO A 38 28.420 -4.751 -1.906 1.00 0.00 C ATOM 643 O PRO A 38 27.855 -3.810 -2.480 1.00 0.00 O ATOM 644 CB PRO A 38 29.412 -4.677 0.507 1.00 0.00 C ATOM 645 CG PRO A 38 29.017 -3.272 0.959 1.00 0.00 C ATOM 646 CD PRO A 38 29.879 -2.356 0.093 1.00 0.00 C ATOM 0 HA PRO A 38 30.332 -5.329 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.615 -5.393 0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.296 -5.028 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.954 -3.086 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.215 -3.122 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.322 -1.476 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 38 30.750 -1.998 0.641 1.00 0.00 H new ATOM 654 N ASP A 39 27.978 -6.013 -1.999 1.00 0.00 N ATOM 655 CA ASP A 39 26.748 -6.381 -2.750 1.00 0.00 C ATOM 656 C ASP A 39 25.617 -6.797 -1.763 1.00 0.00 C ATOM 657 O ASP A 39 25.746 -7.782 -1.035 1.00 0.00 O ATOM 658 CB ASP A 39 27.045 -7.511 -3.764 1.00 0.00 C ATOM 659 CG ASP A 39 27.996 -7.146 -4.901 1.00 0.00 C ATOM 660 OD1 ASP A 39 29.168 -7.502 -4.953 1.00 0.00 O ATOM 661 OD2 ASP A 39 27.395 -6.390 -5.860 1.00 0.00 O ATOM 0 H ASP A 39 28.450 -6.806 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 39 26.408 -5.510 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.464 -8.359 -3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.101 -7.843 -4.197 1.00 0.00 H new ATOM 667 N LYS A 40 24.486 -6.078 -1.760 1.00 0.00 N ATOM 668 CA LYS A 40 23.284 -6.483 -0.981 1.00 0.00 C ATOM 669 C LYS A 40 22.427 -7.483 -1.811 1.00 0.00 C ATOM 670 O LYS A 40 21.773 -7.103 -2.783 1.00 0.00 O ATOM 671 CB LYS A 40 22.475 -5.246 -0.499 1.00 0.00 C ATOM 672 CG LYS A 40 23.012 -4.615 0.805 1.00 0.00 C ATOM 673 CD LYS A 40 22.198 -3.389 1.266 1.00 0.00 C ATOM 674 CE LYS A 40 22.809 -2.632 2.459 1.00 0.00 C ATOM 675 NZ LYS A 40 22.637 -3.339 3.743 1.00 0.00 N ATOM 0 H LYS A 40 24.368 -5.211 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 40 23.603 -6.999 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.481 -4.491 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.436 -5.540 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 40 23.004 -5.366 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 40 24.051 -4.319 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 40 22.096 -2.700 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 40 21.193 -3.715 1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 40 23.872 -2.476 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.350 -1.646 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.008 -2.750 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.627 -3.526 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.155 -4.240 3.715 1.00 0.00 H new ATOM 688 N GLU A 41 22.418 -8.764 -1.418 1.00 0.00 N ATOM 689 CA GLU A 41 21.408 -9.741 -1.898 1.00 0.00 C ATOM 690 C GLU A 41 20.213 -9.746 -0.897 1.00 0.00 C ATOM 691 O GLU A 41 20.331 -10.234 0.233 1.00 0.00 O ATOM 692 CB GLU A 41 22.068 -11.128 -2.091 1.00 0.00 C ATOM 693 CG GLU A 41 21.136 -12.179 -2.745 1.00 0.00 C ATOM 694 CD GLU A 41 21.772 -13.561 -2.845 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.403 -13.954 -3.821 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.565 -14.309 -1.725 1.00 0.00 O ATOM 0 H GLU A 41 23.098 -9.157 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 41 21.013 -9.461 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.959 -11.013 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.397 -11.501 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.215 -12.250 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.859 -11.840 -3.743 1.00 0.00 H new ATOM 704 N ILE A 42 19.073 -9.183 -1.321 1.00 0.00 N ATOM 705 CA ILE A 42 17.850 -9.108 -0.470 1.00 0.00 C ATOM 706 C ILE A 42 16.922 -10.295 -0.875 1.00 0.00 C ATOM 707 O ILE A 42 16.368 -10.315 -1.980 1.00 0.00 O ATOM 708 CB ILE A 42 17.163 -7.694 -0.533 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.110 -6.560 -0.035 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.831 -7.682 0.271 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.595 -5.117 -0.180 1.00 0.00 C ATOM 0 H ILE A 42 18.960 -8.769 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 42 18.106 -9.214 0.584 1.00 0.00 H new ATOM 0 HB ILE A 42 16.938 -7.498 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.331 -6.739 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.052 -6.641 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.378 -6.692 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.147 -8.421 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.033 -7.925 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.344 -4.423 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.404 -4.903 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.671 -5.002 0.387 1.00 0.00 H new ATOM 723 N VAL A 43 16.714 -11.247 0.051 1.00 0.00 N ATOM 724 CA VAL A 43 15.664 -12.299 -0.100 1.00 0.00 C ATOM 725 C VAL A 43 14.447 -11.866 0.783 1.00 0.00 C ATOM 726 O VAL A 43 14.425 -12.089 1.997 1.00 0.00 O ATOM 727 CB VAL A 43 16.230 -13.730 0.202 1.00 0.00 C ATOM 728 CG1 VAL A 43 15.152 -14.840 0.146 1.00 0.00 C ATOM 729 CG2 VAL A 43 17.357 -14.151 -0.774 1.00 0.00 C ATOM 0 H VAL A 43 17.252 -11.319 0.914 1.00 0.00 H new ATOM 0 HA VAL A 43 15.320 -12.381 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 43 16.619 -13.640 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.611 -15.804 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.377 -14.632 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.708 -14.866 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.708 -15.150 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.972 -14.155 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.184 -13.445 -0.701 1.00 0.00 H new ATOM 739 N GLN A 44 13.440 -11.240 0.149 1.00 0.00 N ATOM 740 CA GLN A 44 12.165 -10.849 0.810 1.00 0.00 C ATOM 741 C GLN A 44 11.085 -11.949 0.564 1.00 0.00 C ATOM 742 O GLN A 44 10.467 -12.013 -0.504 1.00 0.00 O ATOM 743 CB GLN A 44 11.817 -9.424 0.294 1.00 0.00 C ATOM 744 CG GLN A 44 10.588 -8.710 0.920 1.00 0.00 C ATOM 745 CD GLN A 44 9.178 -9.179 0.531 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.367 -9.549 1.375 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.827 -9.144 -0.737 1.00 0.00 N ATOM 0 H GLN A 44 13.479 -10.987 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 44 12.234 -10.790 1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.689 -8.789 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.656 -9.487 -0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.675 -8.793 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.662 -7.651 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.496 -8.838 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.886 -9.423 -1.014 1.00 0.00 H new ATOM 756 N ASP A 45 10.875 -12.823 1.560 1.00 0.00 N ATOM 757 CA ASP A 45 9.885 -13.930 1.487 1.00 0.00 C ATOM 758 C ASP A 45 8.639 -13.614 2.383 1.00 0.00 C ATOM 759 O ASP A 45 8.479 -14.175 3.471 1.00 0.00 O ATOM 760 CB ASP A 45 10.669 -15.220 1.857 1.00 0.00 C ATOM 761 CG ASP A 45 9.899 -16.517 1.617 1.00 0.00 C ATOM 762 OD1 ASP A 45 9.551 -16.906 0.508 1.00 0.00 O ATOM 763 OD2 ASP A 45 9.644 -17.194 2.770 1.00 0.00 O ATOM 0 H ASP A 45 11.383 -12.790 2.444 1.00 0.00 H new ATOM 0 HA ASP A 45 9.452 -14.064 0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.593 -15.248 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.953 -15.169 2.908 1.00 0.00 H new ATOM 769 N GLY A 46 7.760 -12.703 1.916 1.00 0.00 N ATOM 770 CA GLY A 46 6.502 -12.332 2.632 1.00 0.00 C ATOM 771 C GLY A 46 6.631 -11.791 4.075 1.00 0.00 C ATOM 772 O GLY A 46 6.245 -12.482 5.015 1.00 0.00 O ATOM 0 H GLY A 46 7.893 -12.201 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.986 -11.579 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.859 -13.212 2.660 1.00 0.00 H new ATOM 776 N ASP A 47 7.201 -10.587 4.238 1.00 0.00 N ATOM 777 CA ASP A 47 7.684 -10.065 5.560 1.00 0.00 C ATOM 778 C ASP A 47 9.103 -10.557 6.012 1.00 0.00 C ATOM 779 O ASP A 47 9.846 -9.765 6.588 1.00 0.00 O ATOM 780 CB ASP A 47 6.603 -9.937 6.692 1.00 0.00 C ATOM 781 CG ASP A 47 6.679 -10.883 7.908 1.00 0.00 C ATOM 782 OD1 ASP A 47 6.825 -12.097 7.817 1.00 0.00 O ATOM 783 OD2 ASP A 47 6.583 -10.223 9.104 1.00 0.00 O ATOM 0 H ASP A 47 7.348 -9.935 3.467 1.00 0.00 H new ATOM 0 HA ASP A 47 7.874 -9.017 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.639 -8.914 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.625 -10.072 6.230 1.00 0.00 H new ATOM 789 N HIS A 48 9.490 -11.827 5.796 1.00 0.00 N ATOM 790 CA HIS A 48 10.844 -12.336 6.150 1.00 0.00 C ATOM 791 C HIS A 48 11.921 -11.815 5.150 1.00 0.00 C ATOM 792 O HIS A 48 12.060 -12.316 4.032 1.00 0.00 O ATOM 793 CB HIS A 48 10.817 -13.881 6.281 1.00 0.00 C ATOM 794 CG HIS A 48 12.082 -14.553 6.842 1.00 0.00 C ATOM 795 ND1 HIS A 48 12.339 -15.902 6.645 1.00 0.00 N ATOM 796 CD2 HIS A 48 13.077 -13.981 7.670 1.00 0.00 C ATOM 797 CE1 HIS A 48 13.487 -16.023 7.386 1.00 0.00 C ATOM 798 NE2 HIS A 48 14.010 -14.934 8.031 1.00 0.00 N ATOM 0 H HIS A 48 8.884 -12.531 5.375 1.00 0.00 H new ATOM 0 HA HIS A 48 11.133 -11.943 7.125 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.977 -14.153 6.920 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.618 -14.302 5.295 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.103 -12.946 7.976 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.980 -16.981 7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.846 -14.851 8.610 1.00 0.00 H new ATOM 806 N MET A 49 12.657 -10.781 5.569 1.00 0.00 N ATOM 807 CA MET A 49 13.573 -10.023 4.692 1.00 0.00 C ATOM 808 C MET A 49 15.035 -10.266 5.152 1.00 0.00 C ATOM 809 O MET A 49 15.451 -9.850 6.240 1.00 0.00 O ATOM 810 CB MET A 49 13.110 -8.548 4.733 1.00 0.00 C ATOM 811 CG MET A 49 13.678 -7.673 3.604 1.00 0.00 C ATOM 812 SD MET A 49 13.182 -5.957 3.852 1.00 0.00 S ATOM 813 CE MET A 49 11.498 -5.958 3.206 1.00 0.00 C ATOM 0 H MET A 49 12.638 -10.440 6.530 1.00 0.00 H new ATOM 0 HA MET A 49 13.547 -10.346 3.651 1.00 0.00 H new ATOM 0 HB2 MET A 49 12.021 -8.520 4.685 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.398 -8.116 5.691 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.765 -7.748 3.586 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.318 -8.029 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.012 -5.015 3.457 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.524 -6.076 2.123 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.939 -6.783 3.648 1.00 0.00 H new ATOM 823 N ILE A 50 15.799 -10.981 4.313 1.00 0.00 N ATOM 824 CA ILE A 50 17.194 -11.383 4.636 1.00 0.00 C ATOM 825 C ILE A 50 18.136 -10.426 3.842 1.00 0.00 C ATOM 826 O ILE A 50 18.326 -10.587 2.632 1.00 0.00 O ATOM 827 CB ILE A 50 17.414 -12.913 4.357 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.433 -13.857 5.124 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.869 -13.334 4.679 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.340 -15.286 4.561 1.00 0.00 C ATOM 0 H ILE A 50 15.480 -11.299 3.398 1.00 0.00 H new ATOM 0 HA ILE A 50 17.422 -11.277 5.697 1.00 0.00 H new ATOM 0 HB ILE A 50 17.206 -13.032 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.745 -13.912 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.438 -13.411 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.993 -14.398 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.559 -12.763 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 50 19.081 -13.137 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.636 -15.867 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.996 -15.248 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.322 -15.757 4.599 1.00 0.00 H new ATOM 842 N ILE A 51 18.725 -9.438 4.539 1.00 0.00 N ATOM 843 CA ILE A 51 19.633 -8.430 3.916 1.00 0.00 C ATOM 844 C ILE A 51 21.091 -8.998 3.965 1.00 0.00 C ATOM 845 O ILE A 51 21.793 -8.827 4.969 1.00 0.00 O ATOM 846 CB ILE A 51 19.494 -7.024 4.619 1.00 0.00 C ATOM 847 CG1 ILE A 51 18.052 -6.474 4.838 1.00 0.00 C ATOM 848 CG2 ILE A 51 20.352 -5.933 3.927 1.00 0.00 C ATOM 849 CD1 ILE A 51 17.212 -6.187 3.586 1.00 0.00 C ATOM 0 H ILE A 51 18.593 -9.307 5.542 1.00 0.00 H new ATOM 0 HA ILE A 51 19.359 -8.259 2.875 1.00 0.00 H new ATOM 0 HB ILE A 51 19.871 -7.244 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.507 -7.190 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.126 -5.551 5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.222 -4.984 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 51 21.402 -6.223 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 51 20.035 -5.824 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.233 -5.810 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.717 -5.441 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.088 -7.106 3.012 1.00 0.00 H new ATOM 861 N ARG A 52 21.554 -9.674 2.896 1.00 0.00 N ATOM 862 CA ARG A 52 22.938 -10.224 2.838 1.00 0.00 C ATOM 863 C ARG A 52 23.905 -9.174 2.220 1.00 0.00 C ATOM 864 O ARG A 52 23.996 -9.057 0.996 1.00 0.00 O ATOM 865 CB ARG A 52 22.992 -11.566 2.058 1.00 0.00 C ATOM 866 CG ARG A 52 22.123 -12.722 2.601 1.00 0.00 C ATOM 867 CD ARG A 52 22.628 -14.107 2.155 1.00 0.00 C ATOM 868 NE ARG A 52 21.811 -15.190 2.763 1.00 0.00 N ATOM 869 CZ ARG A 52 20.674 -15.673 2.261 1.00 0.00 C ATOM 870 NH1 ARG A 52 20.119 -15.256 1.144 1.00 0.00 N ATOM 871 NH2 ARG A 52 20.066 -16.618 2.924 1.00 0.00 N ATOM 0 H ARG A 52 20.999 -9.856 2.060 1.00 0.00 H new ATOM 0 HA ARG A 52 23.260 -10.437 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.694 -11.372 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 52 24.028 -11.903 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.108 -12.679 3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 52 21.096 -12.588 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.587 -14.181 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.672 -14.228 2.443 1.00 0.00 H new ATOM 0 HE ARG A 52 22.148 -15.597 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.561 -14.515 0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.246 -15.674 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.463 -16.964 3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.194 -17.010 2.569 1.00 0.00 H new ATOM 885 N THR A 53 24.627 -8.417 3.064 1.00 0.00 N ATOM 886 CA THR A 53 25.596 -7.378 2.602 1.00 0.00 C ATOM 887 C THR A 53 26.992 -8.054 2.421 1.00 0.00 C ATOM 888 O THR A 53 27.719 -8.328 3.384 1.00 0.00 O ATOM 889 CB THR A 53 25.595 -6.172 3.587 1.00 0.00 C ATOM 890 OG1 THR A 53 24.262 -5.761 3.873 1.00 0.00 O ATOM 891 CG2 THR A 53 26.346 -4.929 3.082 1.00 0.00 C ATOM 0 H THR A 53 24.565 -8.498 4.079 1.00 0.00 H new ATOM 0 HA THR A 53 25.310 -6.964 1.635 1.00 0.00 H new ATOM 0 HB THR A 53 26.114 -6.546 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.229 -5.356 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.292 -4.141 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.390 -5.184 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.889 -4.579 2.156 1.00 0.00 H new ATOM 899 N LEU A 54 27.309 -8.386 1.163 1.00 0.00 N ATOM 900 CA LEU A 54 28.379 -9.353 0.812 1.00 0.00 C ATOM 901 C LEU A 54 29.709 -8.588 0.552 1.00 0.00 C ATOM 902 O LEU A 54 29.801 -7.724 -0.325 1.00 0.00 O ATOM 903 CB LEU A 54 27.907 -10.175 -0.419 1.00 0.00 C ATOM 904 CG LEU A 54 26.674 -11.100 -0.190 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.924 -11.337 -1.511 1.00 0.00 C ATOM 906 CD2 LEU A 54 27.072 -12.437 0.458 1.00 0.00 C ATOM 0 H LEU A 54 26.833 -7.994 0.350 1.00 0.00 H new ATOM 0 HA LEU A 54 28.571 -10.048 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.671 -9.481 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.739 -10.790 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 54 26.007 -10.590 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 54 25.066 -11.985 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.580 -10.383 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.593 -11.811 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.183 -13.051 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.775 -12.960 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.540 -12.248 1.424 1.00 0.00 H new ATOM 918 N SER A 55 30.711 -8.879 1.386 1.00 0.00 N ATOM 919 CA SER A 55 31.880 -7.997 1.611 1.00 0.00 C ATOM 920 C SER A 55 33.203 -8.810 1.550 1.00 0.00 C ATOM 921 O SER A 55 33.308 -9.910 2.106 1.00 0.00 O ATOM 922 CB SER A 55 31.665 -7.359 3.005 1.00 0.00 C ATOM 923 OG SER A 55 32.753 -6.516 3.380 1.00 0.00 O ATOM 0 H SER A 55 30.742 -9.739 1.933 1.00 0.00 H new ATOM 0 HA SER A 55 31.963 -7.230 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.742 -6.779 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.543 -8.146 3.749 1.00 0.00 H new ATOM 0 HG SER A 55 32.579 -6.131 4.264 1.00 0.00 H new ATOM 929 N THR A 56 34.257 -8.223 0.955 1.00 0.00 N ATOM 930 CA THR A 56 35.633 -8.821 0.961 1.00 0.00 C ATOM 931 C THR A 56 36.435 -8.744 2.321 1.00 0.00 C ATOM 932 O THR A 56 37.656 -8.550 2.325 1.00 0.00 O ATOM 933 CB THR A 56 36.413 -8.253 -0.268 1.00 0.00 C ATOM 934 OG1 THR A 56 37.668 -8.916 -0.361 1.00 0.00 O ATOM 935 CG2 THR A 56 36.725 -6.743 -0.255 1.00 0.00 C ATOM 0 H THR A 56 34.197 -7.334 0.459 1.00 0.00 H new ATOM 0 HA THR A 56 35.514 -9.900 0.868 1.00 0.00 H new ATOM 0 HB THR A 56 35.739 -8.425 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 56 38.098 -8.928 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.268 -6.476 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.793 -6.179 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.335 -6.505 0.617 1.00 0.00 H new ATOM 943 N PHE A 57 35.754 -8.945 3.462 1.00 0.00 N ATOM 944 CA PHE A 57 36.358 -8.932 4.822 1.00 0.00 C ATOM 945 C PHE A 57 35.427 -9.693 5.827 1.00 0.00 C ATOM 946 O PHE A 57 35.819 -10.740 6.345 1.00 0.00 O ATOM 947 CB PHE A 57 36.718 -7.473 5.247 1.00 0.00 C ATOM 948 CG PHE A 57 37.658 -7.377 6.455 1.00 0.00 C ATOM 949 CD1 PHE A 57 39.037 -7.543 6.280 1.00 0.00 C ATOM 950 CD2 PHE A 57 37.155 -7.100 7.731 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.901 -7.424 7.366 1.00 0.00 C ATOM 952 CE2 PHE A 57 38.022 -6.986 8.815 1.00 0.00 C ATOM 953 CZ PHE A 57 39.394 -7.137 8.630 1.00 0.00 C ATOM 0 H PHE A 57 34.750 -9.125 3.474 1.00 0.00 H new ATOM 0 HA PHE A 57 37.304 -9.473 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.181 -6.965 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.797 -6.937 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.432 -7.764 5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 57 36.092 -6.974 7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.964 -7.554 7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 57 37.630 -6.780 9.800 1.00 0.00 H new ATOM 0 HZ PHE A 57 40.066 -7.031 9.469 1.00 0.00 H new ATOM 963 N ARG A 58 34.206 -9.182 6.098 1.00 0.00 N ATOM 964 CA ARG A 58 33.194 -9.870 6.946 1.00 0.00 C ATOM 965 C ARG A 58 31.780 -9.672 6.310 1.00 0.00 C ATOM 966 O ARG A 58 31.284 -8.545 6.216 1.00 0.00 O ATOM 967 CB ARG A 58 33.294 -9.323 8.397 1.00 0.00 C ATOM 968 CG ARG A 58 32.353 -10.013 9.419 1.00 0.00 C ATOM 969 CD ARG A 58 32.448 -9.456 10.854 1.00 0.00 C ATOM 970 NE ARG A 58 33.666 -9.927 11.572 1.00 0.00 N ATOM 971 CZ ARG A 58 33.746 -11.031 12.316 1.00 0.00 C ATOM 972 NH1 ARG A 58 32.760 -11.886 12.491 1.00 0.00 N ATOM 973 NH2 ARG A 58 34.881 -11.283 12.907 1.00 0.00 N ATOM 0 H ARG A 58 33.889 -8.282 5.738 1.00 0.00 H new ATOM 0 HA ARG A 58 33.377 -10.943 6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.323 -9.431 8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 58 33.073 -8.256 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.325 -9.913 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.580 -11.079 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.451 -8.367 10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 58 31.562 -9.754 11.415 1.00 0.00 H new ATOM 0 HE ARG A 58 34.508 -9.358 11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 58 31.859 -11.724 12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 58 32.897 -12.710 13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 58 35.669 -10.645 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 58 34.981 -12.118 13.485 1.00 0.00 H new ATOM 987 N ASN A 59 31.122 -10.772 5.902 1.00 0.00 N ATOM 988 CA ASN A 59 29.765 -10.724 5.279 1.00 0.00 C ATOM 989 C ASN A 59 28.640 -10.495 6.342 1.00 0.00 C ATOM 990 O ASN A 59 28.547 -11.227 7.334 1.00 0.00 O ATOM 991 CB ASN A 59 29.500 -12.038 4.492 1.00 0.00 C ATOM 992 CG ASN A 59 30.408 -12.284 3.281 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.361 -11.572 2.287 1.00 0.00 O ATOM 994 ND2 ASN A 59 31.255 -13.284 3.308 1.00 0.00 N ATOM 0 H ASN A 59 31.501 -11.715 5.989 1.00 0.00 H new ATOM 0 HA ASN A 59 29.743 -9.876 4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.606 -12.878 5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.465 -12.033 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 59 31.863 -13.459 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 59 31.306 -13.887 4.129 1.00 0.00 H new ATOM 1001 N TYR A 60 27.785 -9.481 6.132 1.00 0.00 N ATOM 1002 CA TYR A 60 26.778 -9.052 7.142 1.00 0.00 C ATOM 1003 C TYR A 60 25.338 -9.495 6.712 1.00 0.00 C ATOM 1004 O TYR A 60 24.694 -8.848 5.880 1.00 0.00 O ATOM 1005 CB TYR A 60 26.984 -7.523 7.357 1.00 0.00 C ATOM 1006 CG TYR A 60 26.183 -6.891 8.506 1.00 0.00 C ATOM 1007 CD1 TYR A 60 24.856 -6.491 8.311 1.00 0.00 C ATOM 1008 CD2 TYR A 60 26.777 -6.706 9.759 1.00 0.00 C ATOM 1009 CE1 TYR A 60 24.124 -5.948 9.365 1.00 0.00 C ATOM 1010 CE2 TYR A 60 26.041 -6.164 10.810 1.00 0.00 C ATOM 1011 CZ TYR A 60 24.712 -5.801 10.619 1.00 0.00 C ATOM 1012 OH TYR A 60 23.986 -5.313 11.672 1.00 0.00 O ATOM 0 H TYR A 60 27.764 -8.935 5.271 1.00 0.00 H new ATOM 0 HA TYR A 60 26.909 -9.539 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 60 28.044 -7.341 7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 60 26.724 -7.008 6.432 1.00 0.00 H new ATOM 0 HD1 TYR A 60 24.398 -6.604 7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 60 27.809 -6.984 9.912 1.00 0.00 H new ATOM 0 HE1 TYR A 60 23.100 -5.641 9.209 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.504 -6.025 11.776 1.00 0.00 H new ATOM 0 HH TYR A 60 24.552 -5.278 12.471 1.00 0.00 H new ATOM 1022 N ILE A 61 24.837 -10.599 7.296 1.00 0.00 N ATOM 1023 CA ILE A 61 23.468 -11.134 7.023 1.00 0.00 C ATOM 1024 C ILE A 61 22.479 -10.594 8.117 1.00 0.00 C ATOM 1025 O ILE A 61 22.538 -11.009 9.281 1.00 0.00 O ATOM 1026 CB ILE A 61 23.505 -12.707 6.896 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.302 -13.246 5.663 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.082 -13.326 6.815 1.00 0.00 C ATOM 1029 CD1 ILE A 61 25.828 -13.332 5.807 1.00 0.00 C ATOM 0 H ILE A 61 25.361 -11.154 7.973 1.00 0.00 H new ATOM 0 HA ILE A 61 23.096 -10.779 6.062 1.00 0.00 H new ATOM 0 HB ILE A 61 24.020 -13.011 7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.927 -14.241 5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.077 -12.608 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.161 -14.410 6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.524 -13.074 7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.562 -12.930 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 61 26.259 -13.720 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.231 -12.339 6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.079 -13.998 6.633 1.00 0.00 H new ATOM 1041 N MET A 62 21.543 -9.709 7.728 1.00 0.00 N ATOM 1042 CA MET A 62 20.493 -9.167 8.642 1.00 0.00 C ATOM 1043 C MET A 62 19.124 -9.867 8.344 1.00 0.00 C ATOM 1044 O MET A 62 18.389 -9.468 7.434 1.00 0.00 O ATOM 1045 CB MET A 62 20.455 -7.611 8.498 1.00 0.00 C ATOM 1046 CG MET A 62 20.608 -6.823 9.809 1.00 0.00 C ATOM 1047 SD MET A 62 19.160 -7.037 10.861 1.00 0.00 S ATOM 1048 CE MET A 62 18.549 -5.341 10.950 1.00 0.00 C ATOM 0 H MET A 62 21.484 -9.344 6.777 1.00 0.00 H new ATOM 0 HA MET A 62 20.721 -9.384 9.686 1.00 0.00 H new ATOM 0 HB2 MET A 62 21.249 -7.307 7.816 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.510 -7.329 8.033 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.500 -7.159 10.338 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.749 -5.765 9.588 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.652 -5.309 11.569 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.315 -4.701 11.388 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.310 -4.987 9.947 1.00 0.00 H new ATOM 1058 N ASP A 63 18.800 -10.933 9.097 1.00 0.00 N ATOM 1059 CA ASP A 63 17.599 -11.777 8.866 1.00 0.00 C ATOM 1060 C ASP A 63 16.421 -11.433 9.835 1.00 0.00 C ATOM 1061 O ASP A 63 16.565 -11.555 11.055 1.00 0.00 O ATOM 1062 CB ASP A 63 18.067 -13.258 8.912 1.00 0.00 C ATOM 1063 CG ASP A 63 18.603 -13.836 10.229 1.00 0.00 C ATOM 1064 OD1 ASP A 63 17.983 -14.631 10.927 1.00 0.00 O ATOM 1065 OD2 ASP A 63 19.853 -13.382 10.527 1.00 0.00 O ATOM 0 H ASP A 63 19.363 -11.241 9.890 1.00 0.00 H new ATOM 0 HA ASP A 63 17.166 -11.576 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.226 -13.877 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.847 -13.379 8.160 1.00 0.00 H new ATOM 1071 N PHE A 64 15.263 -10.985 9.302 1.00 0.00 N ATOM 1072 CA PHE A 64 14.164 -10.429 10.152 1.00 0.00 C ATOM 1073 C PHE A 64 12.745 -10.532 9.513 1.00 0.00 C ATOM 1074 O PHE A 64 12.560 -10.282 8.319 1.00 0.00 O ATOM 1075 CB PHE A 64 14.477 -8.959 10.573 1.00 0.00 C ATOM 1076 CG PHE A 64 14.747 -7.920 9.465 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.695 -7.331 8.757 1.00 0.00 C ATOM 1078 CD2 PHE A 64 16.065 -7.593 9.131 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.962 -6.448 7.714 1.00 0.00 C ATOM 1080 CE2 PHE A 64 16.327 -6.698 8.099 1.00 0.00 C ATOM 1081 CZ PHE A 64 15.276 -6.131 7.385 1.00 0.00 C ATOM 0 H PHE A 64 15.058 -10.993 8.303 1.00 0.00 H new ATOM 0 HA PHE A 64 14.133 -11.061 11.039 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.638 -8.599 11.169 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.348 -8.980 11.228 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.673 -7.561 9.020 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.884 -8.038 9.677 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.147 -6.008 7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 64 17.347 -6.443 7.852 1.00 0.00 H new ATOM 0 HZ PHE A 64 15.480 -5.445 6.576 1.00 0.00 H new ATOM 1091 N GLN A 65 11.721 -10.796 10.340 1.00 0.00 N ATOM 1092 CA GLN A 65 10.296 -10.637 9.945 1.00 0.00 C ATOM 1093 C GLN A 65 9.834 -9.161 10.159 1.00 0.00 C ATOM 1094 O GLN A 65 9.765 -8.675 11.293 1.00 0.00 O ATOM 1095 CB GLN A 65 9.409 -11.643 10.734 1.00 0.00 C ATOM 1096 CG GLN A 65 9.355 -13.092 10.176 1.00 0.00 C ATOM 1097 CD GLN A 65 10.540 -14.023 10.485 1.00 0.00 C ATOM 1098 OE1 GLN A 65 11.531 -13.688 11.127 1.00 0.00 O ATOM 1099 NE2 GLN A 65 10.471 -15.250 10.033 1.00 0.00 N ATOM 0 H GLN A 65 11.847 -11.124 11.298 1.00 0.00 H new ATOM 0 HA GLN A 65 10.188 -10.861 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.769 -11.685 11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.393 -11.251 10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.450 -13.564 10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.251 -13.030 9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.657 -15.551 9.497 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.231 -15.905 10.217 1.00 0.00 H new ATOM 1108 N VAL A 66 9.475 -8.464 9.065 1.00 0.00 N ATOM 1109 CA VAL A 66 8.954 -7.063 9.106 1.00 0.00 C ATOM 1110 C VAL A 66 7.572 -7.024 9.852 1.00 0.00 C ATOM 1111 O VAL A 66 6.613 -7.689 9.439 1.00 0.00 O ATOM 1112 CB VAL A 66 8.862 -6.470 7.657 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.435 -4.986 7.665 1.00 0.00 C ATOM 1114 CG2 VAL A 66 10.164 -6.539 6.824 1.00 0.00 C ATOM 0 H VAL A 66 9.534 -8.847 8.121 1.00 0.00 H new ATOM 0 HA VAL A 66 9.647 -6.435 9.666 1.00 0.00 H new ATOM 0 HB VAL A 66 8.116 -7.114 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.384 -4.616 6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.455 -4.892 8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.164 -4.401 8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.990 -6.103 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.952 -5.984 7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.469 -7.579 6.711 1.00 0.00 H new ATOM 1124 N GLY A 67 7.520 -6.301 10.980 1.00 0.00 N ATOM 1125 CA GLY A 67 6.481 -6.508 12.025 1.00 0.00 C ATOM 1126 C GLY A 67 7.031 -6.928 13.408 1.00 0.00 C ATOM 1127 O GLY A 67 6.698 -6.297 14.413 1.00 0.00 O ATOM 0 H GLY A 67 8.186 -5.561 11.202 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.912 -5.585 12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.784 -7.271 11.679 1.00 0.00 H new ATOM 1131 N LYS A 68 7.825 -8.012 13.473 1.00 0.00 N ATOM 1132 CA LYS A 68 8.299 -8.594 14.760 1.00 0.00 C ATOM 1133 C LYS A 68 9.528 -7.846 15.379 1.00 0.00 C ATOM 1134 O LYS A 68 10.397 -7.318 14.675 1.00 0.00 O ATOM 1135 CB LYS A 68 8.617 -10.107 14.571 1.00 0.00 C ATOM 1136 CG LYS A 68 7.432 -11.013 14.141 1.00 0.00 C ATOM 1137 CD LYS A 68 7.449 -12.455 14.703 1.00 0.00 C ATOM 1138 CE LYS A 68 8.424 -13.456 14.055 1.00 0.00 C ATOM 1139 NZ LYS A 68 9.825 -13.229 14.457 1.00 0.00 N ATOM 0 H LYS A 68 8.158 -8.511 12.648 1.00 0.00 H new ATOM 0 HA LYS A 68 7.486 -8.469 15.475 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.406 -10.200 13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.018 -10.491 15.509 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.503 -10.534 14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.417 -11.067 13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.681 -12.399 15.767 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.442 -12.862 14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.132 -14.470 14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.345 -13.383 12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.433 -13.950 14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.127 -12.285 14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.904 -13.292 15.492 1.00 0.00 H new ATOM 1152 N GLU A 69 9.594 -7.833 16.724 1.00 0.00 N ATOM 1153 CA GLU A 69 10.707 -7.198 17.478 1.00 0.00 C ATOM 1154 C GLU A 69 11.772 -8.252 17.941 1.00 0.00 C ATOM 1155 O GLU A 69 11.441 -9.231 18.617 1.00 0.00 O ATOM 1156 CB GLU A 69 10.075 -6.378 18.632 1.00 0.00 C ATOM 1157 CG GLU A 69 11.051 -5.363 19.270 1.00 0.00 C ATOM 1158 CD GLU A 69 10.392 -4.413 20.268 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.250 -4.676 21.458 1.00 0.00 O ATOM 1160 OE2 GLU A 69 9.986 -3.246 19.682 1.00 0.00 O ATOM 0 H GLU A 69 8.885 -8.258 17.321 1.00 0.00 H new ATOM 0 HA GLU A 69 11.276 -6.518 16.843 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.203 -5.844 18.253 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.720 -7.063 19.402 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.848 -5.909 19.775 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.518 -4.776 18.479 1.00 0.00 H new ATOM 1168 N PHE A 70 13.048 -8.048 17.566 1.00 0.00 N ATOM 1169 CA PHE A 70 14.147 -9.046 17.769 1.00 0.00 C ATOM 1170 C PHE A 70 15.455 -8.377 18.311 1.00 0.00 C ATOM 1171 O PHE A 70 15.786 -7.257 17.918 1.00 0.00 O ATOM 1172 CB PHE A 70 14.370 -9.832 16.435 1.00 0.00 C ATOM 1173 CG PHE A 70 15.156 -9.139 15.294 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.598 -8.070 14.582 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.458 -9.554 14.992 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.344 -7.405 13.612 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.191 -8.909 13.999 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.638 -7.829 13.319 1.00 0.00 C ATOM 0 H PHE A 70 13.360 -7.190 17.112 1.00 0.00 H new ATOM 0 HA PHE A 70 13.853 -9.757 18.541 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.888 -10.760 16.679 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.390 -10.107 16.044 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.584 -7.760 14.786 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.897 -10.380 15.532 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.920 -6.562 13.088 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.188 -9.247 13.757 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.214 -7.318 12.562 1.00 0.00 H new ATOM 1188 N GLU A 71 16.252 -9.042 19.167 1.00 0.00 N ATOM 1189 CA GLU A 71 17.535 -8.452 19.664 1.00 0.00 C ATOM 1190 C GLU A 71 18.715 -8.559 18.638 1.00 0.00 C ATOM 1191 O GLU A 71 19.047 -9.644 18.151 1.00 0.00 O ATOM 1192 CB GLU A 71 17.905 -9.029 21.057 1.00 0.00 C ATOM 1193 CG GLU A 71 17.033 -8.486 22.219 1.00 0.00 C ATOM 1194 CD GLU A 71 17.464 -8.958 23.604 1.00 0.00 C ATOM 1195 OE1 GLU A 71 17.116 -10.033 24.083 1.00 0.00 O ATOM 1196 OE2 GLU A 71 18.263 -8.050 24.243 1.00 0.00 O ATOM 0 H GLU A 71 16.047 -9.972 19.531 1.00 0.00 H new ATOM 0 HA GLU A 71 17.363 -7.382 19.779 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.813 -10.115 21.025 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.951 -8.804 21.266 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.056 -7.396 22.196 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.999 -8.786 22.052 1.00 0.00 H new ATOM 1204 N GLU A 72 19.384 -7.421 18.356 1.00 0.00 N ATOM 1205 CA GLU A 72 20.618 -7.369 17.518 1.00 0.00 C ATOM 1206 C GLU A 72 21.869 -7.923 18.278 1.00 0.00 C ATOM 1207 O GLU A 72 22.643 -7.187 18.896 1.00 0.00 O ATOM 1208 CB GLU A 72 20.827 -5.906 17.022 1.00 0.00 C ATOM 1209 CG GLU A 72 19.925 -5.424 15.856 1.00 0.00 C ATOM 1210 CD GLU A 72 20.360 -5.874 14.460 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.125 -5.232 13.745 1.00 0.00 O ATOM 1212 OE2 GLU A 72 19.788 -7.060 14.105 1.00 0.00 O ATOM 0 H GLU A 72 19.090 -6.507 18.700 1.00 0.00 H new ATOM 0 HA GLU A 72 20.492 -8.021 16.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.674 -5.236 17.868 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.867 -5.798 16.713 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.910 -5.779 16.034 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.889 -4.335 15.873 1.00 0.00 H new ATOM 1363 N CYS A 82 20.408 -5.192 21.126 1.00 0.00 N ATOM 1364 CA CYS A 82 19.429 -4.078 20.981 1.00 0.00 C ATOM 1365 C CYS A 82 18.074 -4.534 20.364 1.00 0.00 C ATOM 1366 O CYS A 82 18.010 -5.074 19.253 1.00 0.00 O ATOM 1367 CB CYS A 82 20.072 -2.931 20.177 1.00 0.00 C ATOM 1368 SG CYS A 82 21.505 -2.248 21.073 1.00 0.00 S ATOM 0 HA CYS A 82 19.181 -3.718 21.979 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.387 -3.296 19.200 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.337 -2.145 20.002 1.00 0.00 H new ATOM 0 HG CYS A 82 22.238 -3.222 21.526 1.00 0.00 H new ATOM 1374 N MET A 83 16.984 -4.321 21.113 1.00 0.00 N ATOM 1375 CA MET A 83 15.644 -4.868 20.791 1.00 0.00 C ATOM 1376 C MET A 83 14.991 -4.064 19.625 1.00 0.00 C ATOM 1377 O MET A 83 14.728 -2.864 19.722 1.00 0.00 O ATOM 1378 CB MET A 83 14.871 -4.856 22.130 1.00 0.00 C ATOM 1379 CG MET A 83 13.551 -5.641 22.162 1.00 0.00 C ATOM 1380 SD MET A 83 13.753 -7.310 21.502 1.00 0.00 S ATOM 1381 CE MET A 83 12.156 -8.027 21.918 1.00 0.00 C ATOM 0 H MET A 83 16.999 -3.762 21.966 1.00 0.00 H new ATOM 0 HA MET A 83 15.661 -5.888 20.407 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.525 -5.255 22.906 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.659 -3.820 22.393 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.185 -5.697 23.187 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.797 -5.109 21.583 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.237 -9.114 21.928 1.00 0.00 H new ATOM 0 HE2 MET A 83 11.845 -7.677 22.903 1.00 0.00 H new ATOM 0 HE3 MET A 83 11.417 -7.725 21.176 1.00 0.00 H new ATOM 1391 N THR A 84 14.866 -4.726 18.474 1.00 0.00 N ATOM 1392 CA THR A 84 14.825 -4.050 17.151 1.00 0.00 C ATOM 1393 C THR A 84 13.497 -4.372 16.421 1.00 0.00 C ATOM 1394 O THR A 84 13.223 -5.531 16.102 1.00 0.00 O ATOM 1395 CB THR A 84 16.074 -4.448 16.307 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.261 -4.017 16.972 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.107 -3.818 14.904 1.00 0.00 C ATOM 0 H THR A 84 14.790 -5.742 18.419 1.00 0.00 H new ATOM 0 HA THR A 84 14.859 -2.970 17.295 1.00 0.00 H new ATOM 0 HB THR A 84 16.016 -5.531 16.200 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.322 -4.453 17.847 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.006 -4.143 14.380 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.227 -4.132 14.343 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.112 -2.732 14.993 1.00 0.00 H new ATOM 1405 N THR A 85 12.720 -3.329 16.101 1.00 0.00 N ATOM 1406 CA THR A 85 11.505 -3.465 15.246 1.00 0.00 C ATOM 1407 C THR A 85 11.823 -2.884 13.840 1.00 0.00 C ATOM 1408 O THR A 85 12.188 -1.710 13.719 1.00 0.00 O ATOM 1409 CB THR A 85 10.291 -2.754 15.914 1.00 0.00 C ATOM 1410 OG1 THR A 85 9.929 -3.411 17.116 1.00 0.00 O ATOM 1411 CG2 THR A 85 8.991 -2.774 15.090 1.00 0.00 C ATOM 0 H THR A 85 12.901 -2.376 16.415 1.00 0.00 H new ATOM 0 HA THR A 85 11.232 -4.514 15.135 1.00 0.00 H new ATOM 0 HB THR A 85 10.643 -1.730 16.041 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.137 -2.833 17.880 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.205 -2.255 15.638 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.158 -2.275 14.135 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.689 -3.806 14.912 1.00 0.00 H new ATOM 1419 N VAL A 86 11.611 -3.692 12.787 1.00 0.00 N ATOM 1420 CA VAL A 86 11.571 -3.193 11.382 1.00 0.00 C ATOM 1421 C VAL A 86 10.069 -3.171 10.946 1.00 0.00 C ATOM 1422 O VAL A 86 9.338 -4.146 11.151 1.00 0.00 O ATOM 1423 CB VAL A 86 12.469 -4.033 10.412 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.560 -3.346 9.031 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.921 -4.261 10.892 1.00 0.00 C ATOM 0 H VAL A 86 11.463 -4.698 12.872 1.00 0.00 H new ATOM 0 HA VAL A 86 11.993 -2.189 11.331 1.00 0.00 H new ATOM 0 HB VAL A 86 11.975 -5.004 10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.188 -3.942 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.562 -3.257 8.602 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.995 -2.353 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.460 -4.852 10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.417 -3.299 11.019 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.910 -4.793 11.843 1.00 0.00 H new ATOM 1435 N SER A 87 9.577 -2.059 10.372 1.00 0.00 N ATOM 1436 CA SER A 87 8.149 -1.928 9.953 1.00 0.00 C ATOM 1437 C SER A 87 7.961 -0.981 8.724 1.00 0.00 C ATOM 1438 O SER A 87 8.746 -0.060 8.477 1.00 0.00 O ATOM 1439 CB SER A 87 7.295 -1.509 11.175 1.00 0.00 C ATOM 1440 OG SER A 87 7.224 -2.589 12.108 1.00 0.00 O ATOM 0 H SER A 87 10.140 -1.230 10.183 1.00 0.00 H new ATOM 0 HA SER A 87 7.799 -2.900 9.604 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.732 -0.632 11.652 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.292 -1.229 10.851 1.00 0.00 H new ATOM 0 HG SER A 87 7.846 -3.297 11.837 1.00 0.00 H new ATOM 1446 N TRP A 88 6.900 -1.217 7.931 1.00 0.00 N ATOM 1447 CA TRP A 88 6.631 -0.440 6.688 1.00 0.00 C ATOM 1448 C TRP A 88 5.878 0.903 6.943 1.00 0.00 C ATOM 1449 O TRP A 88 4.709 0.913 7.339 1.00 0.00 O ATOM 1450 CB TRP A 88 5.800 -1.313 5.704 1.00 0.00 C ATOM 1451 CG TRP A 88 6.577 -2.385 4.938 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.350 -3.775 5.008 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.483 -2.204 3.909 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.116 -4.478 4.057 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.792 -3.482 3.372 1.00 0.00 C ATOM 1456 CE3 TRP A 88 7.976 -1.023 3.285 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.562 -3.586 2.194 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.751 -1.156 2.134 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.029 -2.417 1.594 1.00 0.00 C ATOM 0 H TRP A 88 6.207 -1.941 8.123 1.00 0.00 H new ATOM 0 HA TRP A 88 7.602 -0.182 6.264 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.004 -1.802 6.266 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.321 -0.653 4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.672 -4.244 5.706 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.162 -5.486 3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.755 -0.048 3.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.785 -4.552 1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.143 -0.273 1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.619 -2.486 0.692 1.00 0.00 H new ATOM 1470 N ASP A 89 6.509 2.033 6.584 1.00 0.00 N ATOM 1471 CA ASP A 89 5.793 3.315 6.336 1.00 0.00 C ATOM 1472 C ASP A 89 5.468 3.465 4.805 1.00 0.00 C ATOM 1473 O ASP A 89 6.021 4.345 4.131 1.00 0.00 O ATOM 1474 CB ASP A 89 6.710 4.420 6.936 1.00 0.00 C ATOM 1475 CG ASP A 89 6.134 5.835 6.978 1.00 0.00 C ATOM 1476 OD1 ASP A 89 5.891 6.430 8.023 1.00 0.00 O ATOM 1477 OD2 ASP A 89 5.949 6.359 5.729 1.00 0.00 O ATOM 0 H ASP A 89 7.519 2.094 6.456 1.00 0.00 H new ATOM 0 HA ASP A 89 4.815 3.378 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.975 4.129 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.635 4.445 6.361 1.00 0.00 H new ATOM 1483 N GLY A 90 4.573 2.612 4.262 1.00 0.00 N ATOM 1484 CA GLY A 90 4.238 2.599 2.810 1.00 0.00 C ATOM 1485 C GLY A 90 5.389 2.145 1.883 1.00 0.00 C ATOM 1486 O GLY A 90 5.702 0.957 1.807 1.00 0.00 O ATOM 0 H GLY A 90 4.063 1.917 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.384 1.940 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.926 3.601 2.515 1.00 0.00 H new ATOM 1490 N ASP A 91 6.040 3.112 1.223 1.00 0.00 N ATOM 1491 CA ASP A 91 7.314 2.865 0.477 1.00 0.00 C ATOM 1492 C ASP A 91 8.631 2.825 1.332 1.00 0.00 C ATOM 1493 O ASP A 91 9.624 2.247 0.878 1.00 0.00 O ATOM 1494 CB ASP A 91 7.448 3.908 -0.667 1.00 0.00 C ATOM 1495 CG ASP A 91 6.443 3.757 -1.810 1.00 0.00 C ATOM 1496 OD1 ASP A 91 6.611 3.017 -2.772 1.00 0.00 O ATOM 1497 OD2 ASP A 91 5.341 4.539 -1.640 1.00 0.00 O ATOM 0 H ASP A 91 5.717 4.079 1.181 1.00 0.00 H new ATOM 0 HA ASP A 91 7.222 1.849 0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.342 4.906 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.455 3.843 -1.079 1.00 0.00 H new ATOM 1503 N LYS A 92 8.662 3.449 2.524 1.00 0.00 N ATOM 1504 CA LYS A 92 9.884 3.573 3.362 1.00 0.00 C ATOM 1505 C LYS A 92 9.883 2.485 4.479 1.00 0.00 C ATOM 1506 O LYS A 92 9.030 2.482 5.371 1.00 0.00 O ATOM 1507 CB LYS A 92 9.935 5.015 3.942 1.00 0.00 C ATOM 1508 CG LYS A 92 10.221 6.135 2.906 1.00 0.00 C ATOM 1509 CD LYS A 92 10.028 7.573 3.430 1.00 0.00 C ATOM 1510 CE LYS A 92 11.109 8.020 4.425 1.00 0.00 C ATOM 1511 NZ LYS A 92 10.883 9.421 4.830 1.00 0.00 N ATOM 0 H LYS A 92 7.840 3.886 2.941 1.00 0.00 H new ATOM 0 HA LYS A 92 10.781 3.407 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.983 5.227 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.703 5.052 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.246 6.028 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.569 5.988 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.020 8.260 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.052 7.647 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.095 7.374 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.095 7.920 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.621 9.711 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.919 10.035 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.950 9.506 5.282 1.00 0.00 H new ATOM 1524 N LEU A 93 10.858 1.565 4.445 1.00 0.00 N ATOM 1525 CA LEU A 93 11.038 0.532 5.497 1.00 0.00 C ATOM 1526 C LEU A 93 11.835 1.128 6.703 1.00 0.00 C ATOM 1527 O LEU A 93 13.028 1.434 6.590 1.00 0.00 O ATOM 1528 CB LEU A 93 11.734 -0.674 4.811 1.00 0.00 C ATOM 1529 CG LEU A 93 11.905 -1.952 5.667 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.566 -2.659 5.923 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.854 -2.934 4.968 1.00 0.00 C ATOM 0 H LEU A 93 11.546 1.509 3.694 1.00 0.00 H new ATOM 0 HA LEU A 93 10.094 0.194 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.164 -0.935 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.720 -0.353 4.476 1.00 0.00 H new ATOM 0 HG LEU A 93 12.319 -1.639 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.735 -3.550 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.893 -1.984 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.118 -2.945 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.966 -3.829 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.443 -3.208 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.828 -2.464 4.831 1.00 0.00 H new ATOM 1543 N GLN A 94 11.145 1.326 7.835 1.00 0.00 N ATOM 1544 CA GLN A 94 11.708 1.997 9.036 1.00 0.00 C ATOM 1545 C GLN A 94 12.205 0.963 10.088 1.00 0.00 C ATOM 1546 O GLN A 94 11.467 0.045 10.456 1.00 0.00 O ATOM 1547 CB GLN A 94 10.609 2.898 9.667 1.00 0.00 C ATOM 1548 CG GLN A 94 10.309 4.204 8.902 1.00 0.00 C ATOM 1549 CD GLN A 94 11.454 5.227 8.924 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.589 5.017 9.341 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.208 6.370 8.374 1.00 0.00 N ATOM 0 H GLN A 94 10.177 1.028 7.953 1.00 0.00 H new ATOM 0 HA GLN A 94 12.565 2.597 8.730 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.688 2.320 9.742 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.910 3.152 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.076 3.959 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.418 4.664 9.328 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.274 6.574 8.018 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.948 7.068 8.296 1.00 0.00 H new ATOM 1560 N CYS A 95 13.426 1.145 10.610 1.00 0.00 N ATOM 1561 CA CYS A 95 13.984 0.299 11.694 1.00 0.00 C ATOM 1562 C CYS A 95 14.372 1.165 12.923 1.00 0.00 C ATOM 1563 O CYS A 95 15.141 2.122 12.791 1.00 0.00 O ATOM 1564 CB CYS A 95 15.203 -0.458 11.135 1.00 0.00 C ATOM 1565 SG CYS A 95 15.855 -1.690 12.322 1.00 0.00 S ATOM 0 H CYS A 95 14.061 1.880 10.298 1.00 0.00 H new ATOM 0 HA CYS A 95 13.235 -0.417 12.034 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.923 -0.961 10.209 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.989 0.255 10.886 1.00 0.00 H new ATOM 0 HG CYS A 95 16.792 -2.388 11.752 1.00 0.00 H new ATOM 1571 N VAL A 96 13.905 0.781 14.124 1.00 0.00 N ATOM 1572 CA VAL A 96 14.433 1.331 15.413 1.00 0.00 C ATOM 1573 C VAL A 96 15.226 0.216 16.173 1.00 0.00 C ATOM 1574 O VAL A 96 14.690 -0.873 16.391 1.00 0.00 O ATOM 1575 CB VAL A 96 13.290 1.997 16.258 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.182 1.047 16.775 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.841 2.794 17.464 1.00 0.00 C ATOM 0 H VAL A 96 13.162 0.092 14.243 1.00 0.00 H new ATOM 0 HA VAL A 96 15.139 2.137 15.212 1.00 0.00 H new ATOM 0 HB VAL A 96 12.823 2.659 15.529 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.449 1.619 17.344 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.690 0.567 15.929 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.626 0.285 17.416 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.012 3.236 18.017 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.398 2.124 18.119 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.501 3.584 17.107 1.00 0.00 H new ATOM 1587 N GLN A 97 16.478 0.487 16.584 1.00 0.00 N ATOM 1588 CA GLN A 97 17.302 -0.460 17.396 1.00 0.00 C ATOM 1589 C GLN A 97 17.448 0.087 18.856 1.00 0.00 C ATOM 1590 O GLN A 97 18.391 0.822 19.167 1.00 0.00 O ATOM 1591 CB GLN A 97 18.692 -0.642 16.720 1.00 0.00 C ATOM 1592 CG GLN A 97 18.729 -1.316 15.326 1.00 0.00 C ATOM 1593 CD GLN A 97 20.117 -1.453 14.686 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.169 -1.352 15.309 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.166 -1.730 13.406 1.00 0.00 N ATOM 0 H GLN A 97 16.956 1.362 16.370 1.00 0.00 H new ATOM 0 HA GLN A 97 16.813 -1.433 17.447 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.153 0.342 16.630 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.319 -1.227 17.393 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.290 -2.310 15.412 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.093 -0.744 14.650 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.303 -1.818 12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.067 -1.857 12.946 1.00 0.00 H new ATOM 1604 N LYS A 98 16.510 -0.251 19.758 1.00 0.00 N ATOM 1605 CA LYS A 98 16.452 0.344 21.128 1.00 0.00 C ATOM 1606 C LYS A 98 17.121 -0.533 22.241 1.00 0.00 C ATOM 1607 O LYS A 98 17.044 -1.765 22.241 1.00 0.00 O ATOM 1608 CB LYS A 98 14.986 0.731 21.481 1.00 0.00 C ATOM 1609 CG LYS A 98 13.950 -0.418 21.490 1.00 0.00 C ATOM 1610 CD LYS A 98 12.570 -0.093 22.091 1.00 0.00 C ATOM 1611 CE LYS A 98 12.513 0.179 23.608 1.00 0.00 C ATOM 1612 NZ LYS A 98 12.798 -1.036 24.401 1.00 0.00 N ATOM 0 H LYS A 98 15.775 -0.934 19.573 1.00 0.00 H new ATOM 0 HA LYS A 98 17.059 1.249 21.102 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.985 1.199 22.465 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.652 1.486 20.769 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.805 -0.754 20.463 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.374 -1.256 22.043 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.173 0.781 21.575 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.900 -0.924 21.871 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.233 0.956 23.864 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.526 0.560 23.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.749 -0.808 25.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.096 -1.770 24.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.750 -1.386 24.170 1.00 0.00 H new ATOM 1625 N GLY A 99 17.743 0.126 23.230 1.00 0.00 N ATOM 1626 CA GLY A 99 18.293 -0.559 24.431 1.00 0.00 C ATOM 1627 C GLY A 99 19.360 0.281 25.155 1.00 0.00 C ATOM 1628 O GLY A 99 19.022 1.171 25.936 1.00 0.00 O ATOM 0 H GLY A 99 17.883 1.136 23.230 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.480 -0.781 25.122 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.728 -1.513 24.133 1.00 0.00 H new ATOM 1632 N GLU A 100 20.643 0.006 24.880 1.00 0.00 N ATOM 1633 CA GLU A 100 21.778 0.828 25.404 1.00 0.00 C ATOM 1634 C GLU A 100 21.981 2.214 24.694 1.00 0.00 C ATOM 1635 O GLU A 100 22.240 3.217 25.363 1.00 0.00 O ATOM 1636 CB GLU A 100 23.061 -0.052 25.311 1.00 0.00 C ATOM 1637 CG GLU A 100 24.342 0.530 25.973 1.00 0.00 C ATOM 1638 CD GLU A 100 24.508 0.203 27.455 1.00 0.00 C ATOM 1639 OE1 GLU A 100 23.818 0.688 28.345 1.00 0.00 O ATOM 1640 OE2 GLU A 100 25.515 -0.689 27.679 1.00 0.00 O ATOM 0 H GLU A 100 20.936 -0.778 24.297 1.00 0.00 H new ATOM 0 HA GLU A 100 21.547 1.104 26.433 1.00 0.00 H new ATOM 0 HB2 GLU A 100 22.848 -1.018 25.768 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.274 -0.238 24.258 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.213 0.157 25.434 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.334 1.613 25.854 1.00 0.00 H new ATOM 1648 N LYS A 101 21.971 2.241 23.351 1.00 0.00 N ATOM 1649 CA LYS A 101 22.523 3.360 22.547 1.00 0.00 C ATOM 1650 C LYS A 101 21.394 4.271 21.971 1.00 0.00 C ATOM 1651 O LYS A 101 20.421 3.779 21.387 1.00 0.00 O ATOM 1652 CB LYS A 101 23.404 2.678 21.472 1.00 0.00 C ATOM 1653 CG LYS A 101 24.314 3.653 20.698 1.00 0.00 C ATOM 1654 CD LYS A 101 25.456 2.967 19.926 1.00 0.00 C ATOM 1655 CE LYS A 101 26.806 2.862 20.668 1.00 0.00 C ATOM 1656 NZ LYS A 101 26.801 1.855 21.746 1.00 0.00 N ATOM 0 H LYS A 101 21.580 1.488 22.784 1.00 0.00 H new ATOM 0 HA LYS A 101 23.120 4.053 23.139 1.00 0.00 H new ATOM 0 HB2 LYS A 101 24.024 1.921 21.952 1.00 0.00 H new ATOM 0 HB3 LYS A 101 22.759 2.159 20.763 1.00 0.00 H new ATOM 0 HG2 LYS A 101 23.705 4.222 19.995 1.00 0.00 H new ATOM 0 HG3 LYS A 101 24.743 4.368 21.400 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.133 1.962 19.656 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.617 3.511 18.995 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.589 2.613 19.951 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.058 3.835 21.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 27.713 1.355 21.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 26.653 2.327 22.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 26.034 1.172 21.580 1.00 0.00 H new ATOM 1669 N GLU A 102 21.526 5.604 22.124 1.00 0.00 N ATOM 1670 CA GLU A 102 20.501 6.566 21.624 1.00 0.00 C ATOM 1671 C GLU A 102 20.579 6.812 20.081 1.00 0.00 C ATOM 1672 O GLU A 102 21.580 6.490 19.434 1.00 0.00 O ATOM 1673 CB GLU A 102 20.527 7.843 22.511 1.00 0.00 C ATOM 1674 CG GLU A 102 21.785 8.751 22.481 1.00 0.00 C ATOM 1675 CD GLU A 102 21.919 9.742 21.319 1.00 0.00 C ATOM 1676 OE1 GLU A 102 20.999 10.084 20.582 1.00 0.00 O ATOM 1677 OE2 GLU A 102 23.198 10.195 21.180 1.00 0.00 O ATOM 0 H GLU A 102 22.322 6.044 22.585 1.00 0.00 H new ATOM 0 HA GLU A 102 19.509 6.127 21.730 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.671 8.457 22.231 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.371 7.530 23.543 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.811 9.319 23.411 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.664 8.107 22.476 1.00 0.00 H new ATOM 1685 N GLY A 103 19.491 7.320 19.472 1.00 0.00 N ATOM 1686 CA GLY A 103 19.440 7.591 18.000 1.00 0.00 C ATOM 1687 C GLY A 103 19.721 6.457 16.973 1.00 0.00 C ATOM 1688 O GLY A 103 20.083 6.760 15.837 1.00 0.00 O ATOM 0 H GLY A 103 18.630 7.555 19.965 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.447 7.984 17.780 1.00 0.00 H new ATOM 0 HA3 GLY A 103 20.151 8.391 17.796 1.00 0.00 H new ATOM 1692 N ARG A 104 19.579 5.184 17.371 1.00 0.00 N ATOM 1693 CA ARG A 104 20.037 4.018 16.579 1.00 0.00 C ATOM 1694 C ARG A 104 18.891 3.395 15.718 1.00 0.00 C ATOM 1695 O ARG A 104 17.842 2.989 16.231 1.00 0.00 O ATOM 1696 CB ARG A 104 20.685 3.040 17.593 1.00 0.00 C ATOM 1697 CG ARG A 104 21.571 1.939 16.964 1.00 0.00 C ATOM 1698 CD ARG A 104 22.131 1.004 18.049 1.00 0.00 C ATOM 1699 NE ARG A 104 22.611 -0.275 17.472 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.397 -1.144 18.106 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.009 -0.895 19.244 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.567 -2.317 17.564 1.00 0.00 N ATOM 0 H ARG A 104 19.141 4.926 18.256 1.00 0.00 H new ATOM 0 HA ARG A 104 20.773 4.304 15.828 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.289 3.615 18.294 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.894 2.563 18.171 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.988 1.362 16.246 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.392 2.397 16.413 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.951 1.499 18.570 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.358 0.802 18.791 1.00 0.00 H new ATOM 0 HE ARG A 104 22.319 -0.506 16.522 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.895 0.012 19.696 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.597 -1.609 19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.105 -2.544 16.683 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.162 -3.008 18.021 1.00 0.00 H new ATOM 1716 N GLY A 105 19.109 3.315 14.397 1.00 0.00 N ATOM 1717 CA GLY A 105 18.082 2.821 13.446 1.00 0.00 C ATOM 1718 C GLY A 105 18.468 2.956 11.958 1.00 0.00 C ATOM 1719 O GLY A 105 19.607 3.275 11.605 1.00 0.00 O ATOM 0 H GLY A 105 19.987 3.585 13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.880 1.772 13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.154 3.366 13.618 1.00 0.00 H new ATOM 1723 N TRP A 106 17.497 2.723 11.063 1.00 0.00 N ATOM 1724 CA TRP A 106 17.683 2.952 9.597 1.00 0.00 C ATOM 1725 C TRP A 106 16.344 3.179 8.818 1.00 0.00 C ATOM 1726 O TRP A 106 15.265 2.755 9.239 1.00 0.00 O ATOM 1727 CB TRP A 106 18.638 1.912 8.922 1.00 0.00 C ATOM 1728 CG TRP A 106 18.313 0.415 9.016 1.00 0.00 C ATOM 1729 CD1 TRP A 106 18.973 -0.501 9.864 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.386 -0.333 8.313 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.472 -1.810 9.715 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.487 -1.680 8.751 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.405 0.036 7.359 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.600 -2.658 8.249 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.530 -0.941 6.892 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.633 -2.271 7.320 1.00 0.00 C ATOM 0 H TRP A 106 16.571 2.376 11.314 1.00 0.00 H new ATOM 0 HA TRP A 106 18.206 3.905 9.524 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.702 2.166 7.864 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.632 2.058 9.346 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.767 -0.231 10.545 1.00 0.00 H new ATOM 0 HE1 TRP A 106 18.766 -2.656 10.203 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.338 1.053 7.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.669 -3.685 8.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.758 -0.669 6.187 1.00 0.00 H new ATOM 0 HH2 TRP A 106 14.952 -3.010 6.924 1.00 0.00 H new ATOM 1747 N THR A 107 16.434 3.840 7.651 1.00 0.00 N ATOM 1748 CA THR A 107 15.273 4.087 6.745 1.00 0.00 C ATOM 1749 C THR A 107 15.662 3.642 5.295 1.00 0.00 C ATOM 1750 O THR A 107 16.593 4.203 4.705 1.00 0.00 O ATOM 1751 CB THR A 107 14.865 5.591 6.800 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.629 6.037 8.135 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.596 5.907 6.000 1.00 0.00 C ATOM 0 H THR A 107 17.311 4.223 7.299 1.00 0.00 H new ATOM 0 HA THR A 107 14.409 3.505 7.066 1.00 0.00 H new ATOM 0 HB THR A 107 15.716 6.110 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.129 5.352 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.370 6.970 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.752 5.649 4.953 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.762 5.327 6.396 1.00 0.00 H new ATOM 1761 N GLN A 108 14.948 2.656 4.717 1.00 0.00 N ATOM 1762 CA GLN A 108 15.281 2.085 3.376 1.00 0.00 C ATOM 1763 C GLN A 108 14.102 2.227 2.357 1.00 0.00 C ATOM 1764 O GLN A 108 12.967 1.843 2.648 1.00 0.00 O ATOM 1765 CB GLN A 108 15.705 0.607 3.596 1.00 0.00 C ATOM 1766 CG GLN A 108 16.387 -0.070 2.381 1.00 0.00 C ATOM 1767 CD GLN A 108 17.068 -1.417 2.663 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.287 -1.539 2.675 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.330 -2.480 2.871 1.00 0.00 N ATOM 0 H GLN A 108 14.130 2.229 5.153 1.00 0.00 H new ATOM 0 HA GLN A 108 16.101 2.643 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.386 0.564 4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.822 0.028 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.637 -0.219 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.133 0.615 1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.313 -2.404 2.866 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.773 -3.384 3.038 1.00 0.00 H new ATOM 1778 N TRP A 109 14.374 2.745 1.147 1.00 0.00 N ATOM 1779 CA TRP A 109 13.357 2.866 0.052 1.00 0.00 C ATOM 1780 C TRP A 109 13.986 2.634 -1.363 1.00 0.00 C ATOM 1781 O TRP A 109 15.208 2.689 -1.533 1.00 0.00 O ATOM 1782 CB TRP A 109 12.578 4.212 0.182 1.00 0.00 C ATOM 1783 CG TRP A 109 13.334 5.502 -0.172 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.395 6.093 -1.451 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.145 6.276 0.636 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.230 7.225 -1.465 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.678 7.322 -0.159 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.530 6.138 1.994 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.602 8.234 0.397 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.441 7.052 2.523 1.00 0.00 C ATOM 1791 CH2 TRP A 109 15.966 8.087 1.736 1.00 0.00 C ATOM 0 H TRP A 109 15.296 3.094 0.887 1.00 0.00 H new ATOM 0 HA TRP A 109 12.624 2.067 0.166 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.695 4.153 -0.454 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.225 4.299 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.865 5.721 -2.315 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.453 7.832 -2.253 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.127 5.343 2.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.019 9.030 -0.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 15.747 6.961 3.555 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.665 8.784 2.174 1.00 0.00 H new ATOM 1802 N ILE A 110 13.152 2.405 -2.398 1.00 0.00 N ATOM 1803 CA ILE A 110 13.638 2.263 -3.808 1.00 0.00 C ATOM 1804 C ILE A 110 13.197 3.511 -4.650 1.00 0.00 C ATOM 1805 O ILE A 110 12.013 3.849 -4.745 1.00 0.00 O ATOM 1806 CB ILE A 110 13.248 0.876 -4.436 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.916 -0.308 -3.675 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.638 0.768 -5.937 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.401 -1.703 -4.046 1.00 0.00 C ATOM 0 H ILE A 110 12.141 2.313 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 110 14.728 2.253 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 110 12.164 0.814 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.990 -0.275 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.770 -0.158 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.346 -0.210 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.126 1.547 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.716 0.891 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.931 -2.454 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.333 -1.765 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.572 -1.884 -5.107 1.00 0.00 H new ATOM 1821 N GLU A 111 14.177 4.131 -5.325 1.00 0.00 N ATOM 1822 CA GLU A 111 13.942 5.098 -6.435 1.00 0.00 C ATOM 1823 C GLU A 111 14.196 4.381 -7.805 1.00 0.00 C ATOM 1824 O GLU A 111 15.296 4.436 -8.368 1.00 0.00 O ATOM 1825 CB GLU A 111 14.862 6.337 -6.228 1.00 0.00 C ATOM 1826 CG GLU A 111 14.376 7.350 -5.166 1.00 0.00 C ATOM 1827 CD GLU A 111 15.344 8.513 -4.933 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.813 9.211 -5.827 1.00 0.00 O ATOM 1829 OE2 GLU A 111 15.635 8.692 -3.614 1.00 0.00 O ATOM 0 H GLU A 111 15.166 3.982 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 111 12.910 5.450 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.855 5.988 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.965 6.856 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.410 7.750 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.218 6.826 -4.223 1.00 0.00 H new ATOM 1837 N GLY A 112 13.169 3.677 -8.325 1.00 0.00 N ATOM 1838 CA GLY A 112 13.257 2.921 -9.609 1.00 0.00 C ATOM 1839 C GLY A 112 14.239 1.725 -9.639 1.00 0.00 C ATOM 1840 O GLY A 112 13.916 0.631 -9.175 1.00 0.00 O ATOM 0 H GLY A 112 12.256 3.612 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.262 2.552 -9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.544 3.618 -10.397 1.00 0.00 H new ATOM 1844 N ASP A 113 15.442 1.961 -10.177 1.00 0.00 N ATOM 1845 CA ASP A 113 16.596 1.014 -10.056 1.00 0.00 C ATOM 1846 C ASP A 113 17.538 1.179 -8.809 1.00 0.00 C ATOM 1847 O ASP A 113 18.451 0.361 -8.657 1.00 0.00 O ATOM 1848 CB ASP A 113 17.413 1.040 -11.381 1.00 0.00 C ATOM 1849 CG ASP A 113 18.010 2.378 -11.848 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.164 3.366 -11.132 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.348 2.346 -13.166 1.00 0.00 O ATOM 0 H ASP A 113 15.659 2.804 -10.709 1.00 0.00 H new ATOM 0 HA ASP A 113 16.139 0.041 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.233 0.329 -11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.766 0.670 -12.177 1.00 0.00 H new ATOM 1857 N GLU A 114 17.374 2.204 -7.949 1.00 0.00 N ATOM 1858 CA GLU A 114 18.327 2.503 -6.847 1.00 0.00 C ATOM 1859 C GLU A 114 17.668 2.302 -5.452 1.00 0.00 C ATOM 1860 O GLU A 114 16.650 2.915 -5.129 1.00 0.00 O ATOM 1861 CB GLU A 114 18.850 3.951 -7.003 1.00 0.00 C ATOM 1862 CG GLU A 114 19.873 4.147 -8.150 1.00 0.00 C ATOM 1863 CD GLU A 114 20.041 5.602 -8.561 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.967 6.313 -8.180 1.00 0.00 O ATOM 1865 OE2 GLU A 114 19.036 6.010 -9.391 1.00 0.00 O ATOM 0 H GLU A 114 16.584 2.848 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 114 19.163 1.806 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.001 4.613 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.312 4.260 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.839 3.750 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.554 3.566 -9.016 1.00 0.00 H new ATOM 1873 N LEU A 115 18.300 1.481 -4.608 1.00 0.00 N ATOM 1874 CA LEU A 115 17.949 1.340 -3.172 1.00 0.00 C ATOM 1875 C LEU A 115 18.702 2.430 -2.342 1.00 0.00 C ATOM 1876 O LEU A 115 19.936 2.443 -2.266 1.00 0.00 O ATOM 1877 CB LEU A 115 18.313 -0.114 -2.775 1.00 0.00 C ATOM 1878 CG LEU A 115 18.027 -0.573 -1.323 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.546 -0.951 -1.141 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.916 -1.778 -0.976 1.00 0.00 C ATOM 0 H LEU A 115 19.078 0.886 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 115 16.890 1.502 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.779 -0.786 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.377 -0.254 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 115 18.252 0.256 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.375 -1.269 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.920 -0.086 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.292 -1.766 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.712 -2.098 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.702 -2.597 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.965 -1.494 -1.065 1.00 0.00 H new ATOM 1892 N HIS A 116 17.938 3.347 -1.738 1.00 0.00 N ATOM 1893 CA HIS A 116 18.481 4.456 -0.911 1.00 0.00 C ATOM 1894 C HIS A 116 18.295 4.104 0.597 1.00 0.00 C ATOM 1895 O HIS A 116 17.175 3.881 1.071 1.00 0.00 O ATOM 1896 CB HIS A 116 17.756 5.778 -1.283 1.00 0.00 C ATOM 1897 CG HIS A 116 18.199 6.438 -2.592 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.873 5.962 -3.856 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.981 7.602 -2.690 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.523 6.896 -4.620 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.206 7.918 -4.018 1.00 0.00 N ATOM 0 H HIS A 116 16.920 3.350 -1.803 1.00 0.00 H new ATOM 0 HA HIS A 116 19.546 4.591 -1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.686 5.579 -1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.902 6.491 -0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.353 8.168 -1.849 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.496 6.826 -5.697 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.730 8.690 -4.430 1.00 0.00 H new ATOM 1909 N LEU A 117 19.414 4.052 1.335 1.00 0.00 N ATOM 1910 CA LEU A 117 19.439 3.663 2.768 1.00 0.00 C ATOM 1911 C LEU A 117 20.040 4.822 3.626 1.00 0.00 C ATOM 1912 O LEU A 117 21.210 5.190 3.470 1.00 0.00 O ATOM 1913 CB LEU A 117 20.249 2.337 2.869 1.00 0.00 C ATOM 1914 CG LEU A 117 20.416 1.737 4.291 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.101 1.238 4.905 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.422 0.576 4.277 1.00 0.00 C ATOM 0 H LEU A 117 20.335 4.278 0.960 1.00 0.00 H new ATOM 0 HA LEU A 117 18.438 3.491 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.764 1.592 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.241 2.510 2.453 1.00 0.00 H new ATOM 0 HG LEU A 117 20.781 2.556 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.294 0.832 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.398 2.067 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.676 0.460 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.524 0.170 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.067 -0.205 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.391 0.938 3.932 1.00 0.00 H new ATOM 1928 N GLU A 118 19.251 5.356 4.574 1.00 0.00 N ATOM 1929 CA GLU A 118 19.762 6.286 5.622 1.00 0.00 C ATOM 1930 C GLU A 118 19.974 5.492 6.948 1.00 0.00 C ATOM 1931 O GLU A 118 19.004 4.984 7.514 1.00 0.00 O ATOM 1932 CB GLU A 118 18.763 7.453 5.855 1.00 0.00 C ATOM 1933 CG GLU A 118 18.530 8.410 4.665 1.00 0.00 C ATOM 1934 CD GLU A 118 17.562 9.545 4.992 1.00 0.00 C ATOM 1935 OE1 GLU A 118 16.351 9.485 4.808 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.194 10.631 5.516 1.00 0.00 O ATOM 0 H GLU A 118 18.252 5.165 4.644 1.00 0.00 H new ATOM 0 HA GLU A 118 20.709 6.711 5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.802 7.027 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.117 8.041 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.485 8.833 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.142 7.842 3.819 1.00 0.00 H new ATOM 1944 N MET A 119 21.215 5.382 7.449 1.00 0.00 N ATOM 1945 CA MET A 119 21.524 4.620 8.696 1.00 0.00 C ATOM 1946 C MET A 119 21.916 5.583 9.855 1.00 0.00 C ATOM 1947 O MET A 119 22.834 6.396 9.723 1.00 0.00 O ATOM 1948 CB MET A 119 22.636 3.568 8.464 1.00 0.00 C ATOM 1949 CG MET A 119 22.366 2.498 7.392 1.00 0.00 C ATOM 1950 SD MET A 119 23.613 1.198 7.454 1.00 0.00 S ATOM 1951 CE MET A 119 24.988 2.029 6.642 1.00 0.00 C ATOM 0 H MET A 119 22.033 5.810 7.015 1.00 0.00 H new ATOM 0 HA MET A 119 20.617 4.086 8.981 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.551 4.095 8.195 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.826 3.061 9.410 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.377 2.066 7.544 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.364 2.959 6.404 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.787 1.312 6.455 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.650 2.451 5.696 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.360 2.828 7.283 1.00 0.00 H new ATOM 1961 N ARG A 120 21.220 5.486 10.993 1.00 0.00 N ATOM 1962 CA ARG A 120 21.334 6.450 12.123 1.00 0.00 C ATOM 1963 C ARG A 120 21.987 5.770 13.369 1.00 0.00 C ATOM 1964 O ARG A 120 21.628 4.641 13.723 1.00 0.00 O ATOM 1965 CB ARG A 120 19.898 6.945 12.464 1.00 0.00 C ATOM 1966 CG ARG A 120 19.156 7.750 11.359 1.00 0.00 C ATOM 1967 CD ARG A 120 17.646 7.939 11.608 1.00 0.00 C ATOM 1968 NE ARG A 120 16.905 6.658 11.446 1.00 0.00 N ATOM 1969 CZ ARG A 120 15.593 6.506 11.607 1.00 0.00 C ATOM 1970 NH1 ARG A 120 14.761 7.483 11.897 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.096 5.309 11.468 1.00 0.00 N ATOM 0 H ARG A 120 20.553 4.735 11.169 1.00 0.00 H new ATOM 0 HA ARG A 120 21.971 7.288 11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.290 6.077 12.719 1.00 0.00 H new ATOM 0 HB3 ARG A 120 19.956 7.567 13.357 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.622 8.731 11.268 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.293 7.242 10.404 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.487 8.328 12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.251 8.680 10.913 1.00 0.00 H new ATOM 0 HE ARG A 120 17.446 5.831 11.191 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.112 8.434 12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.765 7.290 12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.709 4.525 11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.094 5.156 11.584 1.00 0.00 H new ATOM 1985 N ALA A 121 22.917 6.458 14.058 1.00 0.00 N ATOM 1986 CA ALA A 121 23.424 6.023 15.393 1.00 0.00 C ATOM 1987 C ALA A 121 23.942 7.228 16.220 1.00 0.00 C ATOM 1988 O ALA A 121 24.723 8.049 15.731 1.00 0.00 O ATOM 1989 CB ALA A 121 24.512 4.944 15.275 1.00 0.00 C ATOM 0 H ALA A 121 23.340 7.322 13.719 1.00 0.00 H new ATOM 0 HA ALA A 121 22.578 5.582 15.920 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.851 4.658 16.271 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.104 4.071 14.766 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.354 5.337 14.704 1.00 0.00 H new ATOM 1995 N GLU A 122 23.491 7.350 17.483 1.00 0.00 N ATOM 1996 CA GLU A 122 23.812 8.509 18.382 1.00 0.00 C ATOM 1997 C GLU A 122 23.288 9.933 17.953 1.00 0.00 C ATOM 1998 O GLU A 122 23.641 10.931 18.590 1.00 0.00 O ATOM 1999 CB GLU A 122 25.313 8.488 18.813 1.00 0.00 C ATOM 2000 CG GLU A 122 25.781 7.237 19.607 1.00 0.00 C ATOM 2001 CD GLU A 122 25.493 7.297 21.106 1.00 0.00 C ATOM 2002 OE1 GLU A 122 24.500 6.807 21.633 1.00 0.00 O ATOM 2003 OE2 GLU A 122 26.466 7.956 21.794 1.00 0.00 O ATOM 0 H GLU A 122 22.891 6.653 17.924 1.00 0.00 H new ATOM 0 HA GLU A 122 23.196 8.334 19.264 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.928 8.575 17.917 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.508 9.372 19.420 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.295 6.355 19.191 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.853 7.109 19.460 1.00 0.00 H new ATOM 2011 N GLY A 123 22.430 10.030 16.921 1.00 0.00 N ATOM 2012 CA GLY A 123 22.243 11.281 16.134 1.00 0.00 C ATOM 2013 C GLY A 123 22.972 11.392 14.764 1.00 0.00 C ATOM 2014 O GLY A 123 22.576 12.222 13.944 1.00 0.00 O ATOM 0 H GLY A 123 21.847 9.255 16.604 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.175 11.408 15.956 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.565 12.118 16.754 1.00 0.00 H new ATOM 2018 N VAL A 124 24.016 10.588 14.498 1.00 0.00 N ATOM 2019 CA VAL A 124 24.816 10.644 13.241 1.00 0.00 C ATOM 2020 C VAL A 124 24.105 9.812 12.124 1.00 0.00 C ATOM 2021 O VAL A 124 23.874 8.612 12.296 1.00 0.00 O ATOM 2022 CB VAL A 124 26.265 10.111 13.517 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.149 10.096 12.255 1.00 0.00 C ATOM 2024 CG2 VAL A 124 27.051 10.887 14.603 1.00 0.00 C ATOM 0 H VAL A 124 24.339 9.872 15.149 1.00 0.00 H new ATOM 0 HA VAL A 124 24.892 11.675 12.896 1.00 0.00 H new ATOM 0 HB VAL A 124 26.074 9.099 13.875 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.139 9.718 12.509 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.696 9.451 11.501 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.238 11.108 11.861 1.00 0.00 H new ATOM 0 HG21 VAL A 124 28.040 10.445 14.722 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.154 11.930 14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.513 10.834 15.550 1.00 0.00 H new ATOM 2034 N THR A 125 23.818 10.440 10.971 1.00 0.00 N ATOM 2035 CA THR A 125 23.204 9.744 9.798 1.00 0.00 C ATOM 2036 C THR A 125 24.268 9.466 8.684 1.00 0.00 C ATOM 2037 O THR A 125 24.846 10.394 8.107 1.00 0.00 O ATOM 2038 CB THR A 125 21.976 10.552 9.279 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.053 10.769 10.344 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.175 9.848 8.169 1.00 0.00 C ATOM 0 H THR A 125 23.997 11.432 10.814 1.00 0.00 H new ATOM 0 HA THR A 125 22.837 8.767 10.114 1.00 0.00 H new ATOM 0 HB THR A 125 22.401 11.472 8.878 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.285 11.279 10.012 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.339 10.479 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.823 9.668 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.795 8.897 8.542 1.00 0.00 H new ATOM 2048 N CYS A 126 24.474 8.181 8.353 1.00 0.00 N ATOM 2049 CA CYS A 126 25.141 7.751 7.097 1.00 0.00 C ATOM 2050 C CYS A 126 24.127 7.574 5.926 1.00 0.00 C ATOM 2051 O CYS A 126 23.063 6.974 6.095 1.00 0.00 O ATOM 2052 CB CYS A 126 25.869 6.426 7.402 1.00 0.00 C ATOM 2053 SG CYS A 126 26.422 5.577 5.880 1.00 0.00 S ATOM 0 H CYS A 126 24.185 7.403 8.946 1.00 0.00 H new ATOM 0 HA CYS A 126 25.844 8.517 6.770 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.731 6.625 8.039 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.204 5.768 7.962 1.00 0.00 H new ATOM 0 HG CYS A 126 27.267 4.638 6.189 1.00 0.00 H new ATOM 2059 N LYS A 127 24.480 8.060 4.726 1.00 0.00 N ATOM 2060 CA LYS A 127 23.641 7.893 3.505 1.00 0.00 C ATOM 2061 C LYS A 127 24.351 6.929 2.502 1.00 0.00 C ATOM 2062 O LYS A 127 25.428 7.233 1.973 1.00 0.00 O ATOM 2063 CB LYS A 127 23.321 9.281 2.885 1.00 0.00 C ATOM 2064 CG LYS A 127 22.427 10.194 3.759 1.00 0.00 C ATOM 2065 CD LYS A 127 22.049 11.509 3.056 1.00 0.00 C ATOM 2066 CE LYS A 127 21.150 12.390 3.936 1.00 0.00 C ATOM 2067 NZ LYS A 127 20.822 13.642 3.231 1.00 0.00 N ATOM 0 H LYS A 127 25.344 8.577 4.564 1.00 0.00 H new ATOM 0 HA LYS A 127 22.686 7.436 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.259 9.799 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.830 9.129 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.518 9.656 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.948 10.421 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.955 12.057 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.536 11.286 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.235 11.854 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.655 12.614 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.214 14.231 3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 21.698 14.158 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.322 13.421 2.346 1.00 0.00 H new ATOM 2080 N GLN A 128 23.737 5.759 2.252 1.00 0.00 N ATOM 2081 CA GLN A 128 24.229 4.758 1.265 1.00 0.00 C ATOM 2082 C GLN A 128 23.243 4.605 0.063 1.00 0.00 C ATOM 2083 O GLN A 128 22.018 4.574 0.230 1.00 0.00 O ATOM 2084 CB GLN A 128 24.449 3.396 1.982 1.00 0.00 C ATOM 2085 CG GLN A 128 25.813 3.252 2.704 1.00 0.00 C ATOM 2086 CD GLN A 128 26.112 1.856 3.270 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.282 0.955 3.343 1.00 0.00 O ATOM 2088 NE2 GLN A 128 27.323 1.627 3.712 1.00 0.00 N ATOM 0 H GLN A 128 22.881 5.472 2.727 1.00 0.00 H new ATOM 0 HA GLN A 128 25.177 5.107 0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.651 3.253 2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.357 2.596 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.605 3.520 2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.851 3.973 3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 128 28.031 2.360 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.558 0.716 4.106 1.00 0.00 H new ATOM 2097 N VAL A 129 23.798 4.467 -1.155 1.00 0.00 N ATOM 2098 CA VAL A 129 22.994 4.257 -2.402 1.00 0.00 C ATOM 2099 C VAL A 129 23.471 2.932 -3.083 1.00 0.00 C ATOM 2100 O VAL A 129 24.672 2.690 -3.235 1.00 0.00 O ATOM 2101 CB VAL A 129 23.068 5.483 -3.381 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.124 5.322 -4.598 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.717 6.840 -2.729 1.00 0.00 C ATOM 0 H VAL A 129 24.805 4.495 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 129 21.941 4.170 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 129 24.114 5.491 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.212 6.195 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.400 4.428 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.095 5.230 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.793 7.632 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.700 6.804 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.411 7.042 -1.913 1.00 0.00 H new ATOM 2113 N PHE A 130 22.516 2.096 -3.520 1.00 0.00 N ATOM 2114 CA PHE A 130 22.793 0.769 -4.137 1.00 0.00 C ATOM 2115 C PHE A 130 22.017 0.598 -5.483 1.00 0.00 C ATOM 2116 O PHE A 130 20.809 0.823 -5.540 1.00 0.00 O ATOM 2117 CB PHE A 130 22.356 -0.325 -3.127 1.00 0.00 C ATOM 2118 CG PHE A 130 23.362 -0.727 -2.047 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.513 0.034 -0.884 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.092 -1.908 -2.197 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.391 -0.383 0.112 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.967 -2.325 -1.200 1.00 0.00 C ATOM 2123 CZ PHE A 130 25.119 -1.560 -0.047 1.00 0.00 C ATOM 0 H PHE A 130 21.521 2.314 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 130 23.856 0.685 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.448 0.018 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.093 -1.219 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.948 0.946 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.976 -2.501 -3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.508 0.207 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.527 -3.240 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.803 -1.880 0.726 1.00 0.00 H new ATOM 2133 N LYS A 131 22.685 0.141 -6.551 1.00 0.00 N ATOM 2134 CA LYS A 131 22.064 -0.045 -7.897 1.00 0.00 C ATOM 2135 C LYS A 131 21.639 -1.526 -8.150 1.00 0.00 C ATOM 2136 O LYS A 131 22.413 -2.454 -7.889 1.00 0.00 O ATOM 2137 CB LYS A 131 23.110 0.421 -8.946 1.00 0.00 C ATOM 2138 CG LYS A 131 22.597 0.606 -10.396 1.00 0.00 C ATOM 2139 CD LYS A 131 21.787 1.903 -10.613 1.00 0.00 C ATOM 2140 CE LYS A 131 21.534 2.261 -12.087 1.00 0.00 C ATOM 2141 NZ LYS A 131 22.759 2.710 -12.778 1.00 0.00 N ATOM 0 H LYS A 131 23.672 -0.114 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 131 21.148 0.542 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.532 1.368 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.924 -0.304 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 131 23.449 0.604 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.975 -0.248 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 131 20.827 1.805 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.315 2.729 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.127 1.392 -12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 131 20.781 3.047 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.529 2.971 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.154 3.535 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.458 1.940 -12.780 1.00 0.00 H new ATOM 2154 N LYS A 132 20.434 -1.750 -8.709 1.00 0.00 N ATOM 2155 CA LYS A 132 19.930 -3.121 -9.005 1.00 0.00 C ATOM 2156 C LYS A 132 20.624 -3.765 -10.245 1.00 0.00 C ATOM 2157 O LYS A 132 20.507 -3.264 -11.368 1.00 0.00 O ATOM 2158 CB LYS A 132 18.387 -3.082 -9.194 1.00 0.00 C ATOM 2159 CG LYS A 132 17.705 -4.434 -8.881 1.00 0.00 C ATOM 2160 CD LYS A 132 16.168 -4.359 -8.926 1.00 0.00 C ATOM 2161 CE LYS A 132 15.528 -5.655 -8.403 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.058 -5.543 -8.367 1.00 0.00 N ATOM 0 H LYS A 132 19.786 -1.006 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 132 20.179 -3.753 -8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.967 -2.311 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.159 -2.796 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.048 -5.181 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.018 -4.772 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.826 -3.515 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.841 -4.177 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.817 -6.490 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.904 -5.873 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.651 -6.431 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.785 -4.760 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.700 -5.359 -9.326 1.00 0.00 H new ATOM 2175 N VAL A 133 21.320 -4.891 -10.029 1.00 0.00 N ATOM 2176 CA VAL A 133 21.954 -5.689 -11.130 1.00 0.00 C ATOM 2177 C VAL A 133 21.146 -6.982 -11.500 1.00 0.00 C ATOM 2178 O VAL A 133 21.002 -7.272 -12.690 1.00 0.00 O ATOM 2179 CB VAL A 133 23.489 -5.913 -10.899 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.278 -4.583 -10.859 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.877 -6.740 -9.656 1.00 0.00 C ATOM 0 H VAL A 133 21.468 -5.285 -9.100 1.00 0.00 H new ATOM 0 HA VAL A 133 21.896 -5.081 -12.033 1.00 0.00 H new ATOM 0 HB VAL A 133 23.765 -6.507 -11.770 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.335 -4.792 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.153 -4.057 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.902 -3.961 -10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.962 -6.828 -9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.508 -6.243 -8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.436 -7.734 -9.728 1.00 0.00 H new ATOM 2191 N HIS A 134 20.595 -7.734 -10.521 1.00 0.00 N ATOM 2192 CA HIS A 134 19.549 -8.757 -10.781 1.00 0.00 C ATOM 2193 C HIS A 134 18.200 -8.204 -10.258 1.00 0.00 C ATOM 2194 O HIS A 134 18.010 -8.094 -9.025 1.00 0.00 O ATOM 2195 CB HIS A 134 19.980 -10.097 -10.131 1.00 0.00 C ATOM 2196 CG HIS A 134 19.081 -11.289 -10.452 1.00 0.00 C ATOM 2197 ND1 HIS A 134 19.168 -12.037 -11.607 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.042 -11.779 -9.641 1.00 0.00 C ATOM 2199 CE1 HIS A 134 18.151 -12.929 -11.391 1.00 0.00 C ATOM 2200 NE2 HIS A 134 17.410 -12.861 -10.237 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.325 -7.875 -11.090 1.00 0.00 O ATOM 0 H HIS A 134 20.857 -7.653 -9.538 1.00 0.00 H new ATOM 0 HA HIS A 134 19.422 -8.964 -11.844 1.00 0.00 H new ATOM 0 HB2 HIS A 134 20.995 -10.330 -10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.011 -9.965 -9.049 1.00 0.00 H new ATOM 0 HD2 HIS A 134 17.771 -11.367 -8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 134 17.932 -13.686 -12.129 1.00 0.00 H new ATOM 0 HE2 HIS A 134 16.630 -13.434 -9.915 1.00 0.00 H new