USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1069 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 104 LYS NZ :NH3+ 177:sc= 0.686 (180deg=0.443) USER MOD Set 1.2: A 105 TYR OH : rot -130:sc= -1.03! USER MOD Set 2.1: A 12 GLN : amide:sc= -4.03 K(o=-9.4,f=-11!) USER MOD Set 2.2: A 15 GLN : amide:sc= -5.4! C(o=-9.4!,f=-7.9!) USER MOD Single : A 5 SER OG : rot -170:sc= -0.0882 USER MOD Single : A 9 GLN : amide:sc= -7.04! K(o=-7!,f=-1.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.311 USER MOD Single : A 20 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0694 (180deg=-0.486) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.066 (180deg=-0.616) USER MOD Single : A 34 SER OG : rot -72:sc= 0.623 USER MOD Single : A 36 MET CE :methyl -169:sc= -2.14 (180deg=-2.77) USER MOD Single : A 37 GLN : amide:sc= -0.0351 K(o=-0.035,f=-2.5!) USER MOD Single : A 38 LYS NZ :NH3+ -125:sc= -0.747 (180deg=-2.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00654 USER MOD Single : A 44 ASN : amide:sc= -0.749 K(o=-0.75,f=-3.2!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -17:sc= 0.198 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 36:sc= -0.354 USER MOD Single : A 61 ASN : amide:sc= -2.12! X(o=-2.1!,f=-1.6) USER MOD Single : A 74 ASN : amide:sc= -1.34! C(o=-1.3!,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= -0.0921 (180deg=-0.649) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.66) USER MOD Single : A 83 LYS NZ :NH3+ 133:sc= -1.06 (180deg=-1.52) USER MOD Single : A 86 HIS : no HD1:sc= -2.28 X(o=-2.3,f=-2.3!) USER MOD Single : A 89 SER OG : rot -55:sc= 0.219 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 62:sc= 0.775 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 75:sc= 0.554 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A 102 TYR OH : rot 175:sc= 0.282 USER MOD Single : A 103 MET CE :methyl 159:sc= -0.0364 (180deg=-1.04) USER MOD Single : A 107 TYR OH : rot -63:sc= -4.13! USER MOD Single : A 109 TYR OH : rot 180:sc= -0.574 USER MOD Single : A 111 CYS SG : rot -19:sc= -0.329 USER MOD Single : A 113 LYS NZ :NH3+ 141:sc= 0.00228 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.61) USER MOD Single : A 117 SER OG : rot -109:sc= 0.651 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 123 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.22) USER MOD Single : A 129 ASN : amide:sc= -0.375 K(o=-0.37,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 3 101.510 -13.122 17.580 1.00 0.00 N ATOM 2 CA GLY A 3 101.947 -14.092 16.535 1.00 0.00 C ATOM 3 C GLY A 3 103.333 -13.697 16.023 1.00 0.00 C ATOM 4 O GLY A 3 104.292 -14.427 16.173 1.00 0.00 O ATOM 0 HA2 GLY A 3 101.973 -15.101 16.948 1.00 0.00 H new ATOM 0 HA3 GLY A 3 101.233 -14.103 15.712 1.00 0.00 H new ATOM 8 N TRP A 4 103.448 -12.544 15.421 1.00 0.00 N ATOM 9 CA TRP A 4 104.775 -12.107 14.904 1.00 0.00 C ATOM 10 C TRP A 4 105.749 -11.949 16.072 1.00 0.00 C ATOM 11 O TRP A 4 105.380 -11.527 17.149 1.00 0.00 O ATOM 12 CB TRP A 4 104.641 -10.769 14.174 1.00 0.00 C ATOM 13 CG TRP A 4 105.993 -10.337 13.706 1.00 0.00 C ATOM 14 CD1 TRP A 4 106.575 -10.722 12.548 1.00 0.00 C ATOM 15 CD2 TRP A 4 106.944 -9.457 14.371 1.00 0.00 C ATOM 16 NE1 TRP A 4 107.825 -10.136 12.459 1.00 0.00 N ATOM 17 CE2 TRP A 4 108.097 -9.344 13.560 1.00 0.00 C ATOM 18 CE3 TRP A 4 106.917 -8.752 15.588 1.00 0.00 C ATOM 19 CZ2 TRP A 4 109.186 -8.560 13.943 1.00 0.00 C ATOM 20 CZ3 TRP A 4 108.009 -7.961 15.976 1.00 0.00 C ATOM 21 CH2 TRP A 4 109.142 -7.865 15.156 1.00 0.00 C ATOM 0 H TRP A 4 102.682 -11.888 15.266 1.00 0.00 H new ATOM 0 HA TRP A 4 105.150 -12.858 14.208 1.00 0.00 H new ATOM 0 HB2 TRP A 4 103.962 -10.868 13.327 1.00 0.00 H new ATOM 0 HB3 TRP A 4 104.214 -10.018 14.838 1.00 0.00 H new ATOM 0 HD1 TRP A 4 106.136 -11.380 11.813 1.00 0.00 H new ATOM 0 HE1 TRP A 4 108.467 -10.271 11.678 1.00 0.00 H new ATOM 0 HE3 TRP A 4 106.050 -8.820 16.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 110.056 -8.490 13.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 107.977 -7.423 16.912 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.980 -7.255 15.460 1.00 0.00 H new ATOM 32 N SER A 5 106.994 -12.288 15.860 1.00 0.00 N ATOM 33 CA SER A 5 108.015 -12.166 16.947 1.00 0.00 C ATOM 34 C SER A 5 109.302 -11.588 16.356 1.00 0.00 C ATOM 35 O SER A 5 109.517 -11.624 15.161 1.00 0.00 O ATOM 36 CB SER A 5 108.293 -13.548 17.539 1.00 0.00 C ATOM 37 OG SER A 5 108.953 -14.351 16.570 1.00 0.00 O ATOM 0 H SER A 5 107.351 -12.647 14.975 1.00 0.00 H new ATOM 0 HA SER A 5 107.646 -11.508 17.733 1.00 0.00 H new ATOM 0 HB2 SER A 5 108.910 -13.456 18.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 107.359 -14.020 17.844 1.00 0.00 H new ATOM 0 HG SER A 5 108.991 -15.278 16.885 1.00 0.00 H new ATOM 43 N PHE A 6 110.154 -11.041 17.179 1.00 0.00 N ATOM 44 CA PHE A 6 111.414 -10.447 16.653 1.00 0.00 C ATOM 45 C PHE A 6 112.279 -11.531 16.000 1.00 0.00 C ATOM 46 O PHE A 6 112.892 -11.311 14.974 1.00 0.00 O ATOM 47 CB PHE A 6 112.192 -9.789 17.798 1.00 0.00 C ATOM 48 CG PHE A 6 112.693 -10.844 18.756 1.00 0.00 C ATOM 49 CD1 PHE A 6 113.927 -11.464 18.525 1.00 0.00 C ATOM 50 CD2 PHE A 6 111.934 -11.193 19.881 1.00 0.00 C ATOM 51 CE1 PHE A 6 114.402 -12.433 19.416 1.00 0.00 C ATOM 52 CE2 PHE A 6 112.410 -12.164 20.771 1.00 0.00 C ATOM 53 CZ PHE A 6 113.644 -12.784 20.539 1.00 0.00 C ATOM 0 H PHE A 6 110.032 -10.980 18.190 1.00 0.00 H new ATOM 0 HA PHE A 6 111.163 -9.696 15.904 1.00 0.00 H new ATOM 0 HB2 PHE A 6 113.032 -9.221 17.398 1.00 0.00 H new ATOM 0 HB3 PHE A 6 111.551 -9.082 18.325 1.00 0.00 H new ATOM 0 HD1 PHE A 6 114.513 -11.194 17.659 1.00 0.00 H new ATOM 0 HD2 PHE A 6 110.983 -10.714 20.062 1.00 0.00 H new ATOM 0 HE1 PHE A 6 115.354 -12.910 19.237 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.825 -12.435 21.637 1.00 0.00 H new ATOM 0 HZ PHE A 6 114.010 -13.532 21.226 1.00 0.00 H new ATOM 63 N GLU A 7 112.342 -12.694 16.582 1.00 0.00 N ATOM 64 CA GLU A 7 113.177 -13.773 15.985 1.00 0.00 C ATOM 65 C GLU A 7 112.609 -14.192 14.626 1.00 0.00 C ATOM 66 O GLU A 7 113.293 -14.782 13.814 1.00 0.00 O ATOM 67 CB GLU A 7 113.210 -14.983 16.921 1.00 0.00 C ATOM 68 CG GLU A 7 111.783 -15.489 17.164 1.00 0.00 C ATOM 69 CD GLU A 7 111.822 -16.697 18.101 1.00 0.00 C ATOM 70 OE1 GLU A 7 112.903 -17.219 18.321 1.00 0.00 O ATOM 71 OE2 GLU A 7 110.767 -17.082 18.581 1.00 0.00 O ATOM 0 H GLU A 7 111.854 -12.945 17.442 1.00 0.00 H new ATOM 0 HA GLU A 7 114.190 -13.395 15.846 1.00 0.00 H new ATOM 0 HB2 GLU A 7 113.818 -15.776 16.485 1.00 0.00 H new ATOM 0 HB3 GLU A 7 113.675 -14.709 17.868 1.00 0.00 H new ATOM 0 HG2 GLU A 7 111.174 -14.697 17.600 1.00 0.00 H new ATOM 0 HG3 GLU A 7 111.317 -15.764 16.218 1.00 0.00 H new ATOM 78 N GLU A 8 111.361 -13.909 14.371 1.00 0.00 N ATOM 79 CA GLU A 8 110.764 -14.315 13.066 1.00 0.00 C ATOM 80 C GLU A 8 111.521 -13.625 11.924 1.00 0.00 C ATOM 81 O GLU A 8 111.947 -14.256 10.977 1.00 0.00 O ATOM 82 CB GLU A 8 109.291 -13.888 13.042 1.00 0.00 C ATOM 83 CG GLU A 8 108.605 -14.408 11.774 1.00 0.00 C ATOM 84 CD GLU A 8 108.395 -15.920 11.889 1.00 0.00 C ATOM 85 OE1 GLU A 8 108.626 -16.449 12.964 1.00 0.00 O ATOM 86 OE2 GLU A 8 108.001 -16.520 10.903 1.00 0.00 O ATOM 0 H GLU A 8 110.732 -13.417 15.005 1.00 0.00 H new ATOM 0 HA GLU A 8 110.836 -15.396 12.942 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.780 -14.273 13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.220 -12.801 13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 8 107.647 -13.907 11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.214 -14.180 10.899 1.00 0.00 H new ATOM 93 N GLN A 9 111.707 -12.337 12.006 1.00 0.00 N ATOM 94 CA GLN A 9 112.447 -11.628 10.926 1.00 0.00 C ATOM 95 C GLN A 9 113.927 -12.015 10.994 1.00 0.00 C ATOM 96 O GLN A 9 114.659 -11.896 10.030 1.00 0.00 O ATOM 97 CB GLN A 9 112.314 -10.110 11.105 1.00 0.00 C ATOM 98 CG GLN A 9 110.866 -9.668 10.854 1.00 0.00 C ATOM 99 CD GLN A 9 110.448 -10.006 9.418 1.00 0.00 C ATOM 100 OE1 GLN A 9 109.288 -10.257 9.156 1.00 0.00 O ATOM 101 NE2 GLN A 9 111.349 -10.034 8.476 1.00 0.00 N ATOM 0 H GLN A 9 111.380 -11.747 12.771 1.00 0.00 H new ATOM 0 HA GLN A 9 112.030 -11.912 9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.618 -9.828 12.113 1.00 0.00 H new ATOM 0 HB3 GLN A 9 112.983 -9.596 10.415 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.200 -10.164 11.560 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.771 -8.596 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 9 112.323 -9.823 8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 9 111.080 -10.266 7.520 1.00 0.00 H new ATOM 110 N PHE A 10 114.375 -12.451 12.139 1.00 0.00 N ATOM 111 CA PHE A 10 115.812 -12.820 12.303 1.00 0.00 C ATOM 112 C PHE A 10 116.164 -14.037 11.432 1.00 0.00 C ATOM 113 O PHE A 10 117.074 -13.986 10.622 1.00 0.00 O ATOM 114 CB PHE A 10 116.053 -13.146 13.780 1.00 0.00 C ATOM 115 CG PHE A 10 117.520 -13.382 14.035 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.365 -12.302 14.321 1.00 0.00 C ATOM 117 CD2 PHE A 10 118.032 -14.683 13.999 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.725 -12.525 14.567 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.392 -14.906 14.244 1.00 0.00 C ATOM 120 CZ PHE A 10 120.240 -13.827 14.528 1.00 0.00 C ATOM 0 H PHE A 10 113.803 -12.569 12.976 1.00 0.00 H new ATOM 0 HA PHE A 10 116.444 -11.990 11.987 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.697 -12.325 14.403 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.482 -14.031 14.061 1.00 0.00 H new ATOM 0 HD1 PHE A 10 117.968 -11.298 14.352 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.378 -15.515 13.782 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.377 -11.693 14.787 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.788 -15.910 14.214 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.289 -13.999 14.717 1.00 0.00 H new ATOM 130 N LYS A 11 115.462 -15.129 11.576 1.00 0.00 N ATOM 131 CA LYS A 11 115.786 -16.321 10.738 1.00 0.00 C ATOM 132 C LYS A 11 115.614 -15.971 9.262 1.00 0.00 C ATOM 133 O LYS A 11 116.302 -16.496 8.409 1.00 0.00 O ATOM 134 CB LYS A 11 114.886 -17.504 11.112 1.00 0.00 C ATOM 135 CG LYS A 11 113.448 -17.237 10.665 1.00 0.00 C ATOM 136 CD LYS A 11 112.528 -18.310 11.260 1.00 0.00 C ATOM 137 CE LYS A 11 111.127 -18.220 10.638 1.00 0.00 C ATOM 138 NZ LYS A 11 110.440 -19.535 10.779 1.00 0.00 N ATOM 0 H LYS A 11 114.687 -15.248 12.229 1.00 0.00 H new ATOM 0 HA LYS A 11 116.821 -16.610 10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.257 -18.415 10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.915 -17.666 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.131 -16.247 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.384 -17.249 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.949 -19.299 11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.462 -18.183 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 11 110.547 -17.439 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.201 -17.946 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 109.491 -19.477 10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.991 -20.269 10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.358 -19.778 11.787 1.00 0.00 H new ATOM 152 N GLN A 12 114.711 -15.085 8.946 1.00 0.00 N ATOM 153 CA GLN A 12 114.526 -14.719 7.518 1.00 0.00 C ATOM 154 C GLN A 12 115.841 -14.155 6.996 1.00 0.00 C ATOM 155 O GLN A 12 116.237 -14.419 5.891 1.00 0.00 O ATOM 156 CB GLN A 12 113.435 -13.653 7.375 1.00 0.00 C ATOM 157 CG GLN A 12 112.088 -14.207 7.855 1.00 0.00 C ATOM 158 CD GLN A 12 111.437 -15.046 6.752 1.00 0.00 C ATOM 159 OE1 GLN A 12 112.089 -15.841 6.107 1.00 0.00 O ATOM 160 NE2 GLN A 12 110.164 -14.898 6.509 1.00 0.00 N ATOM 0 H GLN A 12 114.101 -14.605 9.607 1.00 0.00 H new ATOM 0 HA GLN A 12 114.229 -15.602 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.701 -12.770 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.357 -13.339 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 12 112.234 -14.816 8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.428 -13.386 8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.616 -14.230 7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 12 109.717 -15.450 5.777 1.00 0.00 H new ATOM 169 N VAL A 13 116.530 -13.389 7.785 1.00 0.00 N ATOM 170 CA VAL A 13 117.819 -12.818 7.314 1.00 0.00 C ATOM 171 C VAL A 13 118.765 -13.958 6.949 1.00 0.00 C ATOM 172 O VAL A 13 119.477 -13.890 5.966 1.00 0.00 O ATOM 173 CB VAL A 13 118.435 -11.963 8.421 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.850 -11.532 8.023 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.567 -10.726 8.642 1.00 0.00 C ATOM 0 H VAL A 13 116.259 -13.132 8.734 1.00 0.00 H new ATOM 0 HA VAL A 13 117.649 -12.193 6.437 1.00 0.00 H new ATOM 0 HB VAL A 13 118.487 -12.546 9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.282 -10.923 8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.469 -12.415 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.808 -10.950 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.002 -10.112 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.516 -10.148 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.563 -11.034 8.934 1.00 0.00 H new ATOM 185 N ARG A 14 118.784 -15.008 7.717 1.00 0.00 N ATOM 186 CA ARG A 14 119.694 -16.134 7.372 1.00 0.00 C ATOM 187 C ARG A 14 119.413 -16.585 5.935 1.00 0.00 C ATOM 188 O ARG A 14 120.323 -16.895 5.192 1.00 0.00 O ATOM 189 CB ARG A 14 119.471 -17.300 8.341 1.00 0.00 C ATOM 190 CG ARG A 14 120.535 -18.377 8.105 1.00 0.00 C ATOM 191 CD ARG A 14 120.398 -19.468 9.171 1.00 0.00 C ATOM 192 NE ARG A 14 121.431 -20.524 8.946 1.00 0.00 N ATOM 193 CZ ARG A 14 122.616 -20.411 9.482 1.00 0.00 C ATOM 194 NH1 ARG A 14 123.540 -19.713 8.882 1.00 0.00 N ATOM 195 NH2 ARG A 14 122.877 -21.000 10.618 1.00 0.00 N ATOM 0 H ARG A 14 118.219 -15.136 8.556 1.00 0.00 H new ATOM 0 HA ARG A 14 120.730 -15.805 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.521 -16.945 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.476 -17.720 8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.418 -18.808 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.531 -17.936 8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 14 120.516 -19.036 10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 14 119.401 -19.906 9.130 1.00 0.00 H new ATOM 0 HE ARG A 14 121.209 -21.337 8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 14 123.337 -19.255 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 14 124.466 -19.625 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 14 122.155 -21.548 11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 14 123.803 -20.912 11.037 1.00 0.00 H new ATOM 209 N GLN A 15 118.169 -16.635 5.530 1.00 0.00 N ATOM 210 CA GLN A 15 117.875 -17.079 4.138 1.00 0.00 C ATOM 211 C GLN A 15 118.525 -16.108 3.132 1.00 0.00 C ATOM 212 O GLN A 15 118.934 -16.511 2.060 1.00 0.00 O ATOM 213 CB GLN A 15 116.345 -17.197 3.927 1.00 0.00 C ATOM 214 CG GLN A 15 115.742 -15.894 3.375 1.00 0.00 C ATOM 215 CD GLN A 15 114.256 -15.808 3.749 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.515 -16.753 3.568 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.792 -14.705 4.273 1.00 0.00 N ATOM 0 H GLN A 15 117.356 -16.391 6.095 1.00 0.00 H new ATOM 0 HA GLN A 15 118.303 -18.067 3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.135 -18.015 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.866 -17.447 4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 15 116.278 -15.035 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.856 -15.860 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.414 -13.911 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.807 -14.637 4.530 1.00 0.00 H new ATOM 226 N LEU A 16 118.634 -14.832 3.454 1.00 0.00 N ATOM 227 CA LEU A 16 119.272 -13.892 2.475 1.00 0.00 C ATOM 228 C LEU A 16 120.735 -14.309 2.284 1.00 0.00 C ATOM 229 O LEU A 16 121.221 -14.413 1.175 1.00 0.00 O ATOM 230 CB LEU A 16 119.223 -12.434 2.989 1.00 0.00 C ATOM 231 CG LEU A 16 117.851 -11.783 2.684 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.822 -12.145 3.774 1.00 0.00 C ATOM 233 CD2 LEU A 16 118.012 -10.255 2.613 1.00 0.00 C ATOM 0 H LEU A 16 118.317 -14.414 4.329 1.00 0.00 H new ATOM 0 HA LEU A 16 118.727 -13.940 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.407 -12.417 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 16 120.017 -11.853 2.521 1.00 0.00 H new ATOM 0 HG LEU A 16 117.490 -12.161 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.865 -11.678 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.698 -13.227 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 16 117.175 -11.786 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 16 117.046 -9.797 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 16 118.386 -9.884 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 118.718 -10.000 1.823 1.00 0.00 H new ATOM 245 N TYR A 17 121.434 -14.565 3.354 1.00 0.00 N ATOM 246 CA TYR A 17 122.856 -14.993 3.232 1.00 0.00 C ATOM 247 C TYR A 17 122.925 -16.294 2.422 1.00 0.00 C ATOM 248 O TYR A 17 123.819 -16.495 1.622 1.00 0.00 O ATOM 249 CB TYR A 17 123.450 -15.217 4.634 1.00 0.00 C ATOM 250 CG TYR A 17 123.893 -13.899 5.234 1.00 0.00 C ATOM 251 CD1 TYR A 17 123.006 -13.132 6.003 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.204 -13.452 5.030 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.434 -11.922 6.566 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.630 -12.243 5.589 1.00 0.00 C ATOM 255 CZ TYR A 17 124.746 -11.478 6.358 1.00 0.00 C ATOM 256 OH TYR A 17 125.166 -10.286 6.912 1.00 0.00 O ATOM 0 H TYR A 17 121.082 -14.496 4.309 1.00 0.00 H new ATOM 0 HA TYR A 17 123.430 -14.219 2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.708 -15.687 5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.298 -15.900 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 17 121.994 -13.473 6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.888 -14.043 4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.752 -11.332 7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.641 -11.900 5.427 1.00 0.00 H new ATOM 0 HH TYR A 17 126.126 -10.334 7.102 1.00 0.00 H new ATOM 266 N GLU A 18 122.003 -17.189 2.649 1.00 0.00 N ATOM 267 CA GLU A 18 122.021 -18.495 1.921 1.00 0.00 C ATOM 268 C GLU A 18 121.675 -18.323 0.433 1.00 0.00 C ATOM 269 O GLU A 18 121.748 -19.266 -0.329 1.00 0.00 O ATOM 270 CB GLU A 18 121.010 -19.446 2.561 1.00 0.00 C ATOM 271 CG GLU A 18 121.501 -19.854 3.951 1.00 0.00 C ATOM 272 CD GLU A 18 120.488 -20.805 4.591 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.417 -20.963 4.028 1.00 0.00 O ATOM 274 OE2 GLU A 18 120.803 -21.365 5.628 1.00 0.00 O ATOM 0 H GLU A 18 121.234 -17.074 3.309 1.00 0.00 H new ATOM 0 HA GLU A 18 123.030 -18.903 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 18 120.036 -18.962 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.880 -20.329 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 18 122.474 -20.339 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.632 -18.971 4.576 1.00 0.00 H new ATOM 281 N ILE A 19 121.293 -17.150 -0.002 1.00 0.00 N ATOM 282 CA ILE A 19 120.950 -16.992 -1.449 1.00 0.00 C ATOM 283 C ILE A 19 122.150 -17.425 -2.296 1.00 0.00 C ATOM 284 O ILE A 19 122.001 -18.070 -3.315 1.00 0.00 O ATOM 285 CB ILE A 19 120.598 -15.529 -1.752 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.258 -15.187 -1.097 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.480 -15.327 -3.268 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.046 -13.670 -1.119 1.00 0.00 C ATOM 0 H ILE A 19 121.204 -16.309 0.568 1.00 0.00 H new ATOM 0 HA ILE A 19 120.087 -17.614 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 19 121.382 -14.881 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.446 -15.685 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.240 -15.552 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.230 -14.287 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.429 -15.575 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.697 -15.975 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.091 -13.429 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.852 -13.182 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.044 -13.318 -2.151 1.00 0.00 H new ATOM 300 N ASN A 20 123.339 -17.086 -1.880 1.00 0.00 N ATOM 301 CA ASN A 20 124.539 -17.493 -2.659 1.00 0.00 C ATOM 302 C ASN A 20 125.791 -17.161 -1.857 1.00 0.00 C ATOM 303 O ASN A 20 125.738 -16.483 -0.849 1.00 0.00 O ATOM 304 CB ASN A 20 124.581 -16.740 -3.989 1.00 0.00 C ATOM 305 CG ASN A 20 125.647 -17.366 -4.890 1.00 0.00 C ATOM 306 OD1 ASN A 20 126.765 -16.893 -4.948 1.00 0.00 O ATOM 307 ND2 ASN A 20 125.346 -18.418 -5.601 1.00 0.00 N ATOM 0 H ASN A 20 123.530 -16.546 -1.036 1.00 0.00 H new ATOM 0 HA ASN A 20 124.493 -18.564 -2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.606 -16.783 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.806 -15.687 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 20 126.049 -18.843 -6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.408 -18.815 -5.552 1.00 0.00 H new ATOM 314 N ASP A 21 126.921 -17.630 -2.301 1.00 0.00 N ATOM 315 CA ASP A 21 128.193 -17.348 -1.577 1.00 0.00 C ATOM 316 C ASP A 21 128.868 -16.139 -2.223 1.00 0.00 C ATOM 317 O ASP A 21 130.068 -15.964 -2.142 1.00 0.00 O ATOM 318 CB ASP A 21 129.113 -18.566 -1.672 1.00 0.00 C ATOM 319 CG ASP A 21 130.411 -18.287 -0.914 1.00 0.00 C ATOM 320 OD1 ASP A 21 130.374 -17.490 0.010 1.00 0.00 O ATOM 321 OD2 ASP A 21 131.419 -18.877 -1.266 1.00 0.00 O ATOM 0 H ASP A 21 127.021 -18.201 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 21 127.988 -17.138 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 128.617 -19.443 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 21 129.331 -18.790 -2.716 1.00 0.00 H new ATOM 326 N ASP A 22 128.101 -15.302 -2.869 1.00 0.00 N ATOM 327 CA ASP A 22 128.693 -14.103 -3.525 1.00 0.00 C ATOM 328 C ASP A 22 129.388 -13.233 -2.453 1.00 0.00 C ATOM 329 O ASP A 22 128.751 -12.838 -1.497 1.00 0.00 O ATOM 330 CB ASP A 22 127.574 -13.287 -4.181 1.00 0.00 C ATOM 331 CG ASP A 22 128.172 -12.079 -4.906 1.00 0.00 C ATOM 332 OD1 ASP A 22 129.072 -11.467 -4.353 1.00 0.00 O ATOM 333 OD2 ASP A 22 127.720 -11.785 -6.000 1.00 0.00 O ATOM 0 H ASP A 22 127.091 -15.398 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 22 129.417 -14.413 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 22 127.022 -13.909 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.863 -12.954 -3.425 1.00 0.00 H new ATOM 338 N PRO A 23 130.671 -12.918 -2.578 1.00 0.00 N ATOM 339 CA PRO A 23 131.332 -12.075 -1.541 1.00 0.00 C ATOM 340 C PRO A 23 130.656 -10.703 -1.398 1.00 0.00 C ATOM 341 O PRO A 23 130.538 -10.170 -0.313 1.00 0.00 O ATOM 342 CB PRO A 23 132.779 -11.945 -2.065 1.00 0.00 C ATOM 343 CG PRO A 23 132.897 -12.725 -3.391 1.00 0.00 C ATOM 344 CD PRO A 23 131.532 -13.360 -3.716 1.00 0.00 C ATOM 0 HA PRO A 23 131.275 -12.511 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.032 -10.896 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.483 -12.338 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.204 -12.057 -4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.662 -13.497 -3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.144 -13.012 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.597 -14.447 -3.774 1.00 0.00 H new ATOM 352 N LYS A 24 130.214 -10.130 -2.484 1.00 0.00 N ATOM 353 CA LYS A 24 129.553 -8.797 -2.403 1.00 0.00 C ATOM 354 C LYS A 24 128.314 -8.884 -1.507 1.00 0.00 C ATOM 355 O LYS A 24 128.129 -8.082 -0.613 1.00 0.00 O ATOM 356 CB LYS A 24 129.121 -8.367 -3.807 1.00 0.00 C ATOM 357 CG LYS A 24 130.352 -8.034 -4.651 1.00 0.00 C ATOM 358 CD LYS A 24 129.902 -7.605 -6.051 1.00 0.00 C ATOM 359 CE LYS A 24 131.125 -7.265 -6.905 1.00 0.00 C ATOM 360 NZ LYS A 24 131.980 -8.474 -7.067 1.00 0.00 N ATOM 0 H LYS A 24 130.282 -10.526 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 24 130.253 -8.073 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 24 128.549 -9.165 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 24 128.466 -7.498 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 24 130.926 -7.236 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 24 131.008 -8.902 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 24 129.330 -8.405 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 24 129.243 -6.740 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 24 130.808 -6.899 -7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 24 131.697 -6.465 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 132.601 -8.352 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 132.560 -8.606 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 131.377 -9.309 -7.209 1.00 0.00 H new ATOM 374 N ARG A 25 127.460 -9.842 -1.741 1.00 0.00 N ATOM 375 CA ARG A 25 126.236 -9.962 -0.900 1.00 0.00 C ATOM 376 C ARG A 25 126.628 -10.297 0.543 1.00 0.00 C ATOM 377 O ARG A 25 126.198 -9.648 1.475 1.00 0.00 O ATOM 378 CB ARG A 25 125.326 -11.054 -1.477 1.00 0.00 C ATOM 379 CG ARG A 25 124.061 -11.191 -0.622 1.00 0.00 C ATOM 380 CD ARG A 25 123.161 -12.283 -1.206 1.00 0.00 C ATOM 381 NE ARG A 25 122.497 -11.773 -2.447 1.00 0.00 N ATOM 382 CZ ARG A 25 122.941 -12.115 -3.629 1.00 0.00 C ATOM 383 NH1 ARG A 25 123.019 -13.377 -3.954 1.00 0.00 N ATOM 384 NH2 ARG A 25 123.301 -11.198 -4.482 1.00 0.00 N ATOM 0 H ARG A 25 127.556 -10.544 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 25 125.696 -9.015 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.056 -10.808 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.859 -12.004 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.329 -11.438 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.526 -10.242 -0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.750 -13.171 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.409 -12.579 -0.474 1.00 0.00 H new ATOM 0 HE ARG A 25 121.691 -11.153 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 25 122.734 -14.094 -3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 25 123.365 -13.646 -4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 25 123.237 -10.212 -4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 25 123.647 -11.466 -5.403 1.00 0.00 H new ATOM 398 N LYS A 26 127.446 -11.296 0.742 1.00 0.00 N ATOM 399 CA LYS A 26 127.855 -11.647 2.130 1.00 0.00 C ATOM 400 C LYS A 26 128.561 -10.443 2.758 1.00 0.00 C ATOM 401 O LYS A 26 128.242 -10.021 3.851 1.00 0.00 O ATOM 402 CB LYS A 26 128.800 -12.851 2.093 1.00 0.00 C ATOM 403 CG LYS A 26 129.221 -13.224 3.516 1.00 0.00 C ATOM 404 CD LYS A 26 130.048 -14.510 3.478 1.00 0.00 C ATOM 405 CE LYS A 26 130.709 -14.740 4.837 1.00 0.00 C ATOM 406 NZ LYS A 26 129.709 -14.539 5.925 1.00 0.00 N ATOM 0 H LYS A 26 127.846 -11.880 0.008 1.00 0.00 H new ATOM 0 HA LYS A 26 126.979 -11.904 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.306 -13.698 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.680 -12.616 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.804 -12.416 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.341 -13.363 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.410 -15.357 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.809 -14.441 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 26 131.117 -15.750 4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 26 131.544 -14.052 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 130.063 -14.965 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 129.555 -13.521 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 128.811 -14.991 5.659 1.00 0.00 H new ATOM 420 N GLU A 27 129.516 -9.886 2.065 1.00 0.00 N ATOM 421 CA GLU A 27 130.248 -8.704 2.603 1.00 0.00 C ATOM 422 C GLU A 27 129.272 -7.541 2.800 1.00 0.00 C ATOM 423 O GLU A 27 129.266 -6.888 3.825 1.00 0.00 O ATOM 424 CB GLU A 27 131.335 -8.289 1.604 1.00 0.00 C ATOM 425 CG GLU A 27 132.138 -7.109 2.161 1.00 0.00 C ATOM 426 CD GLU A 27 133.218 -6.709 1.154 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.411 -7.444 0.200 1.00 0.00 O ATOM 428 OE2 GLU A 27 133.828 -5.670 1.351 1.00 0.00 O ATOM 0 H GLU A 27 129.822 -10.200 1.144 1.00 0.00 H new ATOM 0 HA GLU A 27 130.702 -8.961 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.999 -9.130 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 27 130.880 -8.013 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.477 -6.265 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.595 -7.383 3.112 1.00 0.00 H new ATOM 435 N PHE A 28 128.455 -7.268 1.817 1.00 0.00 N ATOM 436 CA PHE A 28 127.489 -6.141 1.931 1.00 0.00 C ATOM 437 C PHE A 28 126.544 -6.360 3.118 1.00 0.00 C ATOM 438 O PHE A 28 126.331 -5.472 3.920 1.00 0.00 O ATOM 439 CB PHE A 28 126.675 -6.037 0.634 1.00 0.00 C ATOM 440 CG PHE A 28 125.539 -5.059 0.825 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.370 -5.475 1.473 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.657 -3.740 0.372 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.320 -4.576 1.669 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.605 -2.838 0.570 1.00 0.00 C ATOM 445 CZ PHE A 28 123.437 -3.257 1.220 1.00 0.00 C ATOM 0 H PHE A 28 128.417 -7.781 0.936 1.00 0.00 H new ATOM 0 HA PHE A 28 128.042 -5.216 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.316 -5.710 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.283 -7.016 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.280 -6.493 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.558 -3.419 -0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.418 -4.899 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.694 -1.820 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.626 -2.561 1.374 1.00 0.00 H new ATOM 455 N LEU A 29 125.948 -7.514 3.222 1.00 0.00 N ATOM 456 CA LEU A 29 124.991 -7.746 4.341 1.00 0.00 C ATOM 457 C LEU A 29 125.712 -7.575 5.679 1.00 0.00 C ATOM 458 O LEU A 29 125.234 -6.893 6.562 1.00 0.00 O ATOM 459 CB LEU A 29 124.414 -9.162 4.244 1.00 0.00 C ATOM 460 CG LEU A 29 123.515 -9.292 3.005 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.148 -10.767 2.810 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.229 -8.463 3.176 1.00 0.00 C ATOM 0 H LEU A 29 126.080 -8.301 2.587 1.00 0.00 H new ATOM 0 HA LEU A 29 124.179 -7.022 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.225 -9.889 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.840 -9.390 5.142 1.00 0.00 H new ATOM 0 HG LEU A 29 124.054 -8.918 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.510 -10.870 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.057 -11.352 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.616 -11.129 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.607 -8.569 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.680 -8.819 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.488 -7.413 3.314 1.00 0.00 H new ATOM 474 N ASP A 30 126.861 -8.164 5.838 1.00 0.00 N ATOM 475 CA ASP A 30 127.590 -8.004 7.125 1.00 0.00 C ATOM 476 C ASP A 30 127.875 -6.515 7.344 1.00 0.00 C ATOM 477 O ASP A 30 127.806 -6.014 8.449 1.00 0.00 O ATOM 478 CB ASP A 30 128.908 -8.787 7.079 1.00 0.00 C ATOM 479 CG ASP A 30 129.624 -8.666 8.426 1.00 0.00 C ATOM 480 OD1 ASP A 30 130.081 -7.579 8.739 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.704 -9.665 9.124 1.00 0.00 O ATOM 0 H ASP A 30 127.325 -8.745 5.140 1.00 0.00 H new ATOM 0 HA ASP A 30 126.984 -8.390 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.712 -9.835 6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.544 -8.402 6.282 1.00 0.00 H new ATOM 486 N ASP A 31 128.208 -5.811 6.295 1.00 0.00 N ATOM 487 CA ASP A 31 128.513 -4.355 6.427 1.00 0.00 C ATOM 488 C ASP A 31 127.243 -3.559 6.769 1.00 0.00 C ATOM 489 O ASP A 31 127.211 -2.819 7.732 1.00 0.00 O ATOM 490 CB ASP A 31 129.075 -3.846 5.096 1.00 0.00 C ATOM 491 CG ASP A 31 129.443 -2.366 5.220 1.00 0.00 C ATOM 492 OD1 ASP A 31 129.015 -1.743 6.177 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.149 -1.879 4.352 1.00 0.00 O ATOM 0 H ASP A 31 128.282 -6.183 5.348 1.00 0.00 H new ATOM 0 HA ASP A 31 129.238 -4.219 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 31 129.954 -4.426 4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.338 -3.982 4.304 1.00 0.00 H new ATOM 498 N LEU A 32 126.208 -3.685 5.984 1.00 0.00 N ATOM 499 CA LEU A 32 124.959 -2.911 6.264 1.00 0.00 C ATOM 500 C LEU A 32 124.398 -3.271 7.643 1.00 0.00 C ATOM 501 O LEU A 32 124.072 -2.401 8.423 1.00 0.00 O ATOM 502 CB LEU A 32 123.919 -3.185 5.162 1.00 0.00 C ATOM 503 CG LEU A 32 122.553 -2.598 5.548 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.693 -1.104 5.867 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.593 -2.770 4.368 1.00 0.00 C ATOM 0 H LEU A 32 126.170 -4.288 5.162 1.00 0.00 H new ATOM 0 HA LEU A 32 125.195 -1.847 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.255 -2.749 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.827 -4.259 5.001 1.00 0.00 H new ATOM 0 HG LEU A 32 122.171 -3.116 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.719 -0.697 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.386 -0.973 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.073 -0.579 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.618 -2.357 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.988 -2.246 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.488 -3.830 4.136 1.00 0.00 H new ATOM 517 N PHE A 33 124.266 -4.528 7.962 1.00 0.00 N ATOM 518 CA PHE A 33 123.697 -4.875 9.298 1.00 0.00 C ATOM 519 C PHE A 33 124.540 -4.223 10.403 1.00 0.00 C ATOM 520 O PHE A 33 124.015 -3.788 11.406 1.00 0.00 O ATOM 521 CB PHE A 33 123.672 -6.402 9.510 1.00 0.00 C ATOM 522 CG PHE A 33 122.484 -7.018 8.783 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.165 -6.616 9.083 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.702 -7.995 7.799 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.089 -7.188 8.396 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.620 -8.561 7.117 1.00 0.00 C ATOM 527 CZ PHE A 33 120.316 -8.155 7.412 1.00 0.00 C ATOM 0 H PHE A 33 124.521 -5.318 7.370 1.00 0.00 H new ATOM 0 HA PHE A 33 122.674 -4.502 9.340 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.599 -6.842 9.143 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.612 -6.627 10.575 1.00 0.00 H new ATOM 0 HD1 PHE A 33 120.987 -5.868 9.842 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.709 -8.311 7.568 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.079 -6.882 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.793 -9.313 6.361 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.483 -8.589 6.879 1.00 0.00 H new ATOM 537 N SER A 34 125.838 -4.163 10.242 1.00 0.00 N ATOM 538 CA SER A 34 126.699 -3.560 11.307 1.00 0.00 C ATOM 539 C SER A 34 126.322 -2.093 11.568 1.00 0.00 C ATOM 540 O SER A 34 126.168 -1.683 12.700 1.00 0.00 O ATOM 541 CB SER A 34 128.164 -3.624 10.872 1.00 0.00 C ATOM 542 OG SER A 34 128.370 -2.732 9.787 1.00 0.00 O ATOM 0 H SER A 34 126.339 -4.504 9.421 1.00 0.00 H new ATOM 0 HA SER A 34 126.547 -4.127 12.226 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.815 -3.358 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.424 -4.641 10.577 1.00 0.00 H new ATOM 0 HG SER A 34 127.948 -3.095 8.980 1.00 0.00 H new ATOM 548 N PHE A 35 126.191 -1.291 10.547 1.00 0.00 N ATOM 549 CA PHE A 35 125.847 0.147 10.777 1.00 0.00 C ATOM 550 C PHE A 35 124.502 0.260 11.503 1.00 0.00 C ATOM 551 O PHE A 35 124.394 0.880 12.542 1.00 0.00 O ATOM 552 CB PHE A 35 125.746 0.860 9.428 1.00 0.00 C ATOM 553 CG PHE A 35 125.444 2.321 9.651 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.126 2.739 9.866 1.00 0.00 C ATOM 555 CD2 PHE A 35 126.485 3.257 9.650 1.00 0.00 C ATOM 556 CE1 PHE A 35 123.848 4.094 10.078 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.208 4.612 9.863 1.00 0.00 C ATOM 558 CZ PHE A 35 124.888 5.031 10.077 1.00 0.00 C ATOM 0 H PHE A 35 126.305 -1.563 9.571 1.00 0.00 H new ATOM 0 HA PHE A 35 126.624 0.605 11.389 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.680 0.751 8.877 1.00 0.00 H new ATOM 0 HB3 PHE A 35 124.963 0.404 8.822 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.324 2.016 9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 35 127.502 2.933 9.485 1.00 0.00 H new ATOM 0 HE1 PHE A 35 122.831 4.417 10.242 1.00 0.00 H new ATOM 0 HE2 PHE A 35 127.011 5.334 9.862 1.00 0.00 H new ATOM 0 HZ PHE A 35 124.673 6.077 10.241 1.00 0.00 H new ATOM 568 N MET A 36 123.480 -0.338 10.961 1.00 0.00 N ATOM 569 CA MET A 36 122.133 -0.276 11.604 1.00 0.00 C ATOM 570 C MET A 36 122.136 -1.077 12.911 1.00 0.00 C ATOM 571 O MET A 36 121.220 -0.991 13.704 1.00 0.00 O ATOM 572 CB MET A 36 121.093 -0.853 10.639 1.00 0.00 C ATOM 573 CG MET A 36 121.466 -2.293 10.280 1.00 0.00 C ATOM 574 SD MET A 36 120.679 -2.746 8.715 1.00 0.00 S ATOM 575 CE MET A 36 119.042 -3.115 9.385 1.00 0.00 C ATOM 0 H MET A 36 123.517 -0.872 10.093 1.00 0.00 H new ATOM 0 HA MET A 36 121.886 0.761 11.833 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.104 -0.827 11.097 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.043 -0.244 9.736 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.548 -2.390 10.197 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.145 -2.971 11.071 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.438 -3.605 8.621 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.142 -3.775 10.247 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.557 -2.188 9.692 1.00 0.00 H new ATOM 585 N GLN A 37 123.154 -1.861 13.136 1.00 0.00 N ATOM 586 CA GLN A 37 123.212 -2.676 14.387 1.00 0.00 C ATOM 587 C GLN A 37 123.042 -1.768 15.602 1.00 0.00 C ATOM 588 O GLN A 37 122.855 -2.232 16.708 1.00 0.00 O ATOM 589 CB GLN A 37 124.559 -3.398 14.490 1.00 0.00 C ATOM 590 CG GLN A 37 124.537 -4.383 15.662 1.00 0.00 C ATOM 591 CD GLN A 37 125.790 -5.256 15.617 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.351 -5.484 14.564 1.00 0.00 O ATOM 593 NE2 GLN A 37 126.263 -5.751 16.729 1.00 0.00 N ATOM 0 H GLN A 37 123.950 -1.974 12.508 1.00 0.00 H new ATOM 0 HA GLN A 37 122.409 -3.413 14.358 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.768 -3.929 13.562 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.360 -2.672 14.629 1.00 0.00 H new ATOM 0 HG2 GLN A 37 124.493 -3.840 16.606 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.644 -5.006 15.610 1.00 0.00 H new ATOM 0 HE21 GLN A 37 125.792 -5.560 17.613 1.00 0.00 H new ATOM 0 HE22 GLN A 37 127.103 -6.329 16.713 1.00 0.00 H new ATOM 602 N LYS A 38 123.104 -0.473 15.421 1.00 0.00 N ATOM 603 CA LYS A 38 122.947 0.437 16.592 1.00 0.00 C ATOM 604 C LYS A 38 121.705 0.002 17.375 1.00 0.00 C ATOM 605 O LYS A 38 121.751 -0.188 18.574 1.00 0.00 O ATOM 606 CB LYS A 38 122.776 1.879 16.111 1.00 0.00 C ATOM 607 CG LYS A 38 122.623 2.801 17.324 1.00 0.00 C ATOM 608 CD LYS A 38 122.596 4.264 16.866 1.00 0.00 C ATOM 609 CE LYS A 38 121.323 4.551 16.050 1.00 0.00 C ATOM 610 NZ LYS A 38 121.584 4.266 14.612 1.00 0.00 N ATOM 0 H LYS A 38 123.255 -0.012 14.524 1.00 0.00 H new ATOM 0 HA LYS A 38 123.831 0.385 17.228 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.638 2.181 15.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 121.901 1.958 15.466 1.00 0.00 H new ATOM 0 HG2 LYS A 38 121.705 2.562 17.860 1.00 0.00 H new ATOM 0 HG3 LYS A 38 123.448 2.643 18.018 1.00 0.00 H new ATOM 0 HD2 LYS A 38 122.635 4.923 17.733 1.00 0.00 H new ATOM 0 HD3 LYS A 38 123.478 4.478 16.262 1.00 0.00 H new ATOM 0 HE2 LYS A 38 120.500 3.935 16.411 1.00 0.00 H new ATOM 0 HE3 LYS A 38 121.022 5.591 16.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 121.357 5.107 14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 122.587 4.021 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 120.991 3.470 14.303 1.00 0.00 H new ATOM 624 N ARG A 39 120.607 -0.207 16.700 1.00 0.00 N ATOM 625 CA ARG A 39 119.390 -0.684 17.408 1.00 0.00 C ATOM 626 C ARG A 39 119.653 -2.132 17.835 1.00 0.00 C ATOM 627 O ARG A 39 119.280 -2.553 18.912 1.00 0.00 O ATOM 628 CB ARG A 39 118.177 -0.618 16.469 1.00 0.00 C ATOM 629 CG ARG A 39 117.823 0.846 16.157 1.00 0.00 C ATOM 630 CD ARG A 39 117.021 1.471 17.310 1.00 0.00 C ATOM 631 NE ARG A 39 116.573 2.838 16.909 1.00 0.00 N ATOM 632 CZ ARG A 39 116.343 3.752 17.815 1.00 0.00 C ATOM 633 NH1 ARG A 39 115.161 3.852 18.359 1.00 0.00 N ATOM 634 NH2 ARG A 39 117.296 4.569 18.175 1.00 0.00 N ATOM 0 H ARG A 39 120.502 -0.068 15.695 1.00 0.00 H new ATOM 0 HA ARG A 39 119.175 -0.061 18.276 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.395 -1.152 15.544 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.324 -1.115 16.930 1.00 0.00 H new ATOM 0 HG2 ARG A 39 118.736 1.418 15.991 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.243 0.896 15.235 1.00 0.00 H new ATOM 0 HD2 ARG A 39 116.159 0.848 17.550 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.635 1.525 18.209 1.00 0.00 H new ATOM 0 HE ARG A 39 116.446 3.060 15.922 1.00 0.00 H new ATOM 0 HH11 ARG A 39 114.415 3.216 18.078 1.00 0.00 H new ATOM 0 HH12 ARG A 39 114.984 4.566 19.066 1.00 0.00 H new ATOM 0 HH21 ARG A 39 118.220 4.494 17.749 1.00 0.00 H new ATOM 0 HH22 ARG A 39 117.116 5.282 18.882 1.00 0.00 H new ATOM 648 N GLY A 40 120.328 -2.886 16.997 1.00 0.00 N ATOM 649 CA GLY A 40 120.667 -4.306 17.336 1.00 0.00 C ATOM 650 C GLY A 40 119.764 -5.285 16.580 1.00 0.00 C ATOM 651 O GLY A 40 120.015 -6.474 16.568 1.00 0.00 O ATOM 0 H GLY A 40 120.661 -2.574 16.085 1.00 0.00 H new ATOM 0 HA2 GLY A 40 121.710 -4.503 17.088 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.560 -4.462 18.409 1.00 0.00 H new ATOM 655 N THR A 41 118.716 -4.805 15.951 1.00 0.00 N ATOM 656 CA THR A 41 117.792 -5.720 15.196 1.00 0.00 C ATOM 657 C THR A 41 117.927 -5.451 13.687 1.00 0.00 C ATOM 658 O THR A 41 118.331 -4.377 13.288 1.00 0.00 O ATOM 659 CB THR A 41 116.346 -5.448 15.660 1.00 0.00 C ATOM 660 OG1 THR A 41 116.237 -4.091 16.063 1.00 0.00 O ATOM 661 CG2 THR A 41 116.001 -6.356 16.846 1.00 0.00 C ATOM 0 H THR A 41 118.459 -3.818 15.927 1.00 0.00 H new ATOM 0 HA THR A 41 118.047 -6.762 15.389 1.00 0.00 H new ATOM 0 HB THR A 41 115.657 -5.651 14.840 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.320 -3.910 16.358 1.00 0.00 H new ATOM 0 HG21 THR A 41 114.979 -6.159 17.169 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.092 -7.399 16.544 1.00 0.00 H new ATOM 0 HG23 THR A 41 116.687 -6.156 17.669 1.00 0.00 H new ATOM 669 N PRO A 42 117.594 -6.414 12.844 1.00 0.00 N ATOM 670 CA PRO A 42 117.706 -6.209 11.374 1.00 0.00 C ATOM 671 C PRO A 42 116.928 -4.976 10.891 1.00 0.00 C ATOM 672 O PRO A 42 116.693 -4.039 11.628 1.00 0.00 O ATOM 673 CB PRO A 42 117.113 -7.515 10.797 1.00 0.00 C ATOM 674 CG PRO A 42 116.672 -8.418 11.964 1.00 0.00 C ATOM 675 CD PRO A 42 117.100 -7.756 13.285 1.00 0.00 C ATOM 0 HA PRO A 42 118.731 -6.018 11.056 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.264 -7.291 10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.854 -8.027 10.183 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.592 -8.560 11.945 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.125 -9.405 11.871 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.266 -7.670 13.982 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.879 -8.327 13.789 1.00 0.00 H new ATOM 683 N ILE A 43 116.538 -4.977 9.647 1.00 0.00 N ATOM 684 CA ILE A 43 115.788 -3.821 9.088 1.00 0.00 C ATOM 685 C ILE A 43 114.373 -3.787 9.691 1.00 0.00 C ATOM 686 O ILE A 43 114.165 -4.201 10.814 1.00 0.00 O ATOM 687 CB ILE A 43 115.774 -3.965 7.548 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.633 -2.576 6.878 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.628 -4.898 7.086 1.00 0.00 C ATOM 690 CD1 ILE A 43 116.992 -1.860 6.817 1.00 0.00 C ATOM 0 H ILE A 43 116.709 -5.737 8.989 1.00 0.00 H new ATOM 0 HA ILE A 43 116.262 -2.873 9.342 1.00 0.00 H new ATOM 0 HB ILE A 43 116.721 -4.411 7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.232 -2.692 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 43 114.921 -1.968 7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.642 -4.981 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.763 -5.886 7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.671 -4.485 7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 43 116.869 -0.886 6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.378 -1.725 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.694 -2.460 6.238 1.00 0.00 H new ATOM 702 N ASN A 44 113.402 -3.287 8.973 1.00 0.00 N ATOM 703 CA ASN A 44 112.020 -3.222 9.536 1.00 0.00 C ATOM 704 C ASN A 44 111.312 -4.567 9.352 1.00 0.00 C ATOM 705 O ASN A 44 110.814 -5.145 10.296 1.00 0.00 O ATOM 706 CB ASN A 44 111.230 -2.130 8.811 1.00 0.00 C ATOM 707 CG ASN A 44 109.908 -1.884 9.539 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.319 -2.800 10.081 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.413 -0.677 9.579 1.00 0.00 N ATOM 0 H ASN A 44 113.504 -2.922 8.026 1.00 0.00 H new ATOM 0 HA ASN A 44 112.079 -2.993 10.600 1.00 0.00 H new ATOM 0 HB2 ASN A 44 111.813 -1.210 8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 44 111.039 -2.429 7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 44 108.533 -0.502 10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.906 0.092 9.125 1.00 0.00 H new ATOM 716 N ARG A 45 111.262 -5.077 8.149 1.00 0.00 N ATOM 717 CA ARG A 45 110.582 -6.387 7.935 1.00 0.00 C ATOM 718 C ARG A 45 111.058 -7.007 6.615 1.00 0.00 C ATOM 719 O ARG A 45 111.519 -6.319 5.726 1.00 0.00 O ATOM 720 CB ARG A 45 109.064 -6.170 7.895 1.00 0.00 C ATOM 721 CG ARG A 45 108.345 -7.503 8.139 1.00 0.00 C ATOM 722 CD ARG A 45 106.819 -7.304 8.107 1.00 0.00 C ATOM 723 NE ARG A 45 106.322 -7.486 6.709 1.00 0.00 N ATOM 724 CZ ARG A 45 105.932 -8.665 6.299 1.00 0.00 C ATOM 725 NH1 ARG A 45 106.676 -9.714 6.525 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.797 -8.796 5.666 1.00 0.00 N ATOM 0 H ARG A 45 111.659 -4.647 7.313 1.00 0.00 H new ATOM 0 HA ARG A 45 110.828 -7.065 8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.771 -5.443 8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.771 -5.759 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.640 -8.227 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.644 -7.914 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.334 -8.018 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.564 -6.308 8.468 1.00 0.00 H new ATOM 0 HE ARG A 45 106.287 -6.689 6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 45 107.561 -9.614 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 45 106.372 -10.634 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 45 104.213 -7.978 5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 45 104.494 -9.716 5.347 1.00 0.00 H new ATOM 740 N LEU A 46 110.950 -8.308 6.488 1.00 0.00 N ATOM 741 CA LEU A 46 111.395 -9.003 5.234 1.00 0.00 C ATOM 742 C LEU A 46 110.318 -10.007 4.791 1.00 0.00 C ATOM 743 O LEU A 46 110.428 -11.184 5.069 1.00 0.00 O ATOM 744 CB LEU A 46 112.696 -9.767 5.515 1.00 0.00 C ATOM 745 CG LEU A 46 113.871 -8.778 5.691 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.951 -9.408 6.575 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.489 -8.444 4.325 1.00 0.00 C ATOM 0 H LEU A 46 110.569 -8.925 7.205 1.00 0.00 H new ATOM 0 HA LEU A 46 111.555 -8.264 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.583 -10.372 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.908 -10.452 4.694 1.00 0.00 H new ATOM 0 HG LEU A 46 113.492 -7.868 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.777 -8.707 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.529 -9.644 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.317 -10.322 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.316 -7.747 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.858 -9.358 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.733 -7.990 3.685 1.00 0.00 H new ATOM 759 N PRO A 47 109.276 -9.565 4.118 1.00 0.00 N ATOM 760 CA PRO A 47 108.204 -10.504 3.681 1.00 0.00 C ATOM 761 C PRO A 47 108.728 -11.582 2.715 1.00 0.00 C ATOM 762 O PRO A 47 109.827 -11.489 2.196 1.00 0.00 O ATOM 763 CB PRO A 47 107.181 -9.568 3.001 1.00 0.00 C ATOM 764 CG PRO A 47 107.707 -8.118 3.081 1.00 0.00 C ATOM 765 CD PRO A 47 109.096 -8.131 3.749 1.00 0.00 C ATOM 0 HA PRO A 47 107.781 -11.075 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.035 -9.860 1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.212 -9.646 3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.772 -7.684 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.018 -7.497 3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.875 -7.788 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.129 -7.482 4.624 1.00 0.00 H new ATOM 773 N ILE A 48 107.940 -12.603 2.476 1.00 0.00 N ATOM 774 CA ILE A 48 108.356 -13.703 1.555 1.00 0.00 C ATOM 775 C ILE A 48 107.411 -13.724 0.357 1.00 0.00 C ATOM 776 O ILE A 48 106.204 -13.711 0.504 1.00 0.00 O ATOM 777 CB ILE A 48 108.251 -15.049 2.277 1.00 0.00 C ATOM 778 CG1 ILE A 48 109.026 -15.004 3.604 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.833 -16.147 1.383 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.459 -14.513 3.376 1.00 0.00 C ATOM 0 H ILE A 48 107.014 -12.720 2.887 1.00 0.00 H new ATOM 0 HA ILE A 48 109.384 -13.537 1.233 1.00 0.00 H new ATOM 0 HB ILE A 48 107.203 -15.259 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.517 -14.344 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 48 109.043 -15.996 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.761 -17.108 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.274 -16.189 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.879 -15.927 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.991 -14.488 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.971 -15.190 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.436 -13.511 2.947 1.00 0.00 H new ATOM 792 N MET A 49 107.948 -13.760 -0.827 1.00 0.00 N ATOM 793 CA MET A 49 107.090 -13.788 -2.052 1.00 0.00 C ATOM 794 C MET A 49 106.942 -15.234 -2.532 1.00 0.00 C ATOM 795 O MET A 49 107.830 -15.796 -3.141 1.00 0.00 O ATOM 796 CB MET A 49 107.747 -12.933 -3.155 1.00 0.00 C ATOM 797 CG MET A 49 107.283 -11.478 -3.030 1.00 0.00 C ATOM 798 SD MET A 49 108.225 -10.442 -4.177 1.00 0.00 S ATOM 799 CE MET A 49 107.233 -8.940 -3.992 1.00 0.00 C ATOM 0 H MET A 49 108.952 -13.771 -1.006 1.00 0.00 H new ATOM 0 HA MET A 49 106.105 -13.382 -1.823 1.00 0.00 H new ATOM 0 HB2 MET A 49 108.832 -12.987 -3.071 1.00 0.00 H new ATOM 0 HB3 MET A 49 107.483 -13.325 -4.137 1.00 0.00 H new ATOM 0 HG2 MET A 49 106.218 -11.405 -3.249 1.00 0.00 H new ATOM 0 HG3 MET A 49 107.423 -11.127 -2.008 1.00 0.00 H new ATOM 0 HE1 MET A 49 107.643 -8.153 -4.624 1.00 0.00 H new ATOM 0 HE2 MET A 49 106.204 -9.144 -4.289 1.00 0.00 H new ATOM 0 HE3 MET A 49 107.253 -8.617 -2.951 1.00 0.00 H new ATOM 809 N ALA A 50 105.814 -15.830 -2.267 1.00 0.00 N ATOM 810 CA ALA A 50 105.583 -17.232 -2.708 1.00 0.00 C ATOM 811 C ALA A 50 106.776 -18.100 -2.310 1.00 0.00 C ATOM 812 O ALA A 50 106.889 -18.538 -1.182 1.00 0.00 O ATOM 813 CB ALA A 50 105.420 -17.254 -4.231 1.00 0.00 C ATOM 0 H ALA A 50 105.038 -15.403 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 50 104.683 -17.623 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 50 105.250 -18.278 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 50 104.569 -16.634 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 50 106.324 -16.865 -4.699 1.00 0.00 H new ATOM 819 N LYS A 51 107.664 -18.350 -3.237 1.00 0.00 N ATOM 820 CA LYS A 51 108.866 -19.193 -2.947 1.00 0.00 C ATOM 821 C LYS A 51 110.124 -18.322 -2.973 1.00 0.00 C ATOM 822 O LYS A 51 111.196 -18.754 -2.600 1.00 0.00 O ATOM 823 CB LYS A 51 108.969 -20.300 -4.000 1.00 0.00 C ATOM 824 CG LYS A 51 108.986 -19.691 -5.406 1.00 0.00 C ATOM 825 CD LYS A 51 108.986 -20.810 -6.466 1.00 0.00 C ATOM 826 CE LYS A 51 107.559 -21.325 -6.704 1.00 0.00 C ATOM 827 NZ LYS A 51 107.560 -22.276 -7.852 1.00 0.00 N ATOM 0 H LYS A 51 107.608 -18.002 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 51 108.771 -19.643 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 51 109.875 -20.884 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 51 108.127 -20.985 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 51 108.116 -19.049 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 51 109.868 -19.063 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.404 -20.434 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.625 -21.630 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.185 -21.820 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.889 -20.490 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.594 -22.625 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 107.900 -21.789 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 108.187 -23.078 -7.638 1.00 0.00 H new ATOM 841 N SER A 52 109.999 -17.091 -3.399 1.00 0.00 N ATOM 842 CA SER A 52 111.184 -16.180 -3.438 1.00 0.00 C ATOM 843 C SER A 52 111.199 -15.319 -2.171 1.00 0.00 C ATOM 844 O SER A 52 110.205 -15.189 -1.486 1.00 0.00 O ATOM 845 CB SER A 52 111.097 -15.280 -4.670 1.00 0.00 C ATOM 846 OG SER A 52 109.883 -14.543 -4.629 1.00 0.00 O ATOM 0 H SER A 52 109.125 -16.676 -3.722 1.00 0.00 H new ATOM 0 HA SER A 52 112.099 -16.770 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 52 111.948 -14.600 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 52 111.140 -15.882 -5.578 1.00 0.00 H new ATOM 0 HG SER A 52 109.269 -14.959 -3.988 1.00 0.00 H new ATOM 852 N VAL A 53 112.331 -14.741 -1.854 1.00 0.00 N ATOM 853 CA VAL A 53 112.453 -13.889 -0.625 1.00 0.00 C ATOM 854 C VAL A 53 112.790 -12.456 -1.052 1.00 0.00 C ATOM 855 O VAL A 53 113.642 -12.237 -1.890 1.00 0.00 O ATOM 856 CB VAL A 53 113.582 -14.455 0.254 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.721 -13.632 1.548 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.272 -15.925 0.605 1.00 0.00 C ATOM 0 H VAL A 53 113.188 -14.823 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 53 111.520 -13.888 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 53 114.520 -14.399 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.524 -14.046 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.952 -12.597 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.785 -13.670 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.071 -16.327 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.328 -15.978 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.197 -16.510 -0.312 1.00 0.00 H new ATOM 868 N LEU A 54 112.123 -11.478 -0.495 1.00 0.00 N ATOM 869 CA LEU A 54 112.415 -10.070 -0.895 1.00 0.00 C ATOM 870 C LEU A 54 113.864 -9.725 -0.531 1.00 0.00 C ATOM 871 O LEU A 54 114.159 -9.342 0.584 1.00 0.00 O ATOM 872 CB LEU A 54 111.463 -9.122 -0.150 1.00 0.00 C ATOM 873 CG LEU A 54 111.631 -7.676 -0.659 1.00 0.00 C ATOM 874 CD1 LEU A 54 110.977 -7.510 -2.041 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.970 -6.713 0.334 1.00 0.00 C ATOM 0 H LEU A 54 111.397 -11.592 0.212 1.00 0.00 H new ATOM 0 HA LEU A 54 112.274 -9.960 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.432 -9.446 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.664 -9.162 0.920 1.00 0.00 H new ATOM 0 HG LEU A 54 112.695 -7.454 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.106 -6.483 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.447 -8.191 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.913 -7.738 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.086 -5.689 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.909 -6.950 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.444 -6.815 1.310 1.00 0.00 H new ATOM 887 N ASP A 55 114.767 -9.847 -1.467 1.00 0.00 N ATOM 888 CA ASP A 55 116.193 -9.515 -1.182 1.00 0.00 C ATOM 889 C ASP A 55 116.347 -7.993 -1.069 1.00 0.00 C ATOM 890 O ASP A 55 116.230 -7.281 -2.046 1.00 0.00 O ATOM 891 CB ASP A 55 117.069 -10.031 -2.325 1.00 0.00 C ATOM 892 CG ASP A 55 118.543 -9.851 -1.960 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.831 -8.974 -1.162 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.357 -10.595 -2.480 1.00 0.00 O ATOM 0 H ASP A 55 114.578 -10.163 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 55 116.499 -9.983 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.856 -11.083 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.842 -9.490 -3.244 1.00 0.00 H new ATOM 899 N LEU A 56 116.603 -7.483 0.107 1.00 0.00 N ATOM 900 CA LEU A 56 116.754 -6.002 0.249 1.00 0.00 C ATOM 901 C LEU A 56 117.833 -5.495 -0.717 1.00 0.00 C ATOM 902 O LEU A 56 117.887 -4.325 -1.042 1.00 0.00 O ATOM 903 CB LEU A 56 117.118 -5.618 1.699 1.00 0.00 C ATOM 904 CG LEU A 56 118.123 -6.608 2.315 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.493 -6.518 1.610 1.00 0.00 C ATOM 906 CD2 LEU A 56 118.281 -6.275 3.806 1.00 0.00 C ATOM 0 H LEU A 56 116.713 -8.020 0.967 1.00 0.00 H new ATOM 0 HA LEU A 56 115.800 -5.534 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 56 117.541 -4.613 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.213 -5.592 2.307 1.00 0.00 H new ATOM 0 HG LEU A 56 117.749 -7.624 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 56 120.184 -7.228 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.374 -6.754 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.890 -5.508 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 56 118.990 -6.967 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 118.649 -5.255 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 56 117.316 -6.367 4.304 1.00 0.00 H new ATOM 918 N TYR A 57 118.691 -6.364 -1.176 1.00 0.00 N ATOM 919 CA TYR A 57 119.767 -5.937 -2.116 1.00 0.00 C ATOM 920 C TYR A 57 119.129 -5.463 -3.428 1.00 0.00 C ATOM 921 O TYR A 57 119.568 -4.507 -4.038 1.00 0.00 O ATOM 922 CB TYR A 57 120.706 -7.130 -2.392 1.00 0.00 C ATOM 923 CG TYR A 57 122.080 -6.638 -2.823 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.238 -5.950 -4.035 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.199 -6.875 -2.007 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.503 -5.498 -4.427 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.466 -6.423 -2.401 1.00 0.00 C ATOM 928 CZ TYR A 57 124.617 -5.732 -3.611 1.00 0.00 C ATOM 929 OH TYR A 57 125.864 -5.288 -4.003 1.00 0.00 O ATOM 0 H TYR A 57 118.693 -7.356 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 57 120.342 -5.121 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.798 -7.743 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.280 -7.764 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.381 -5.769 -4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.083 -7.407 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.621 -4.968 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.325 -6.607 -1.773 1.00 0.00 H new ATOM 0 HH TYR A 57 126.526 -5.531 -3.323 1.00 0.00 H new ATOM 939 N GLU A 58 118.102 -6.135 -3.873 1.00 0.00 N ATOM 940 CA GLU A 58 117.452 -5.746 -5.157 1.00 0.00 C ATOM 941 C GLU A 58 116.927 -4.310 -5.066 1.00 0.00 C ATOM 942 O GLU A 58 117.038 -3.546 -6.004 1.00 0.00 O ATOM 943 CB GLU A 58 116.291 -6.703 -5.445 1.00 0.00 C ATOM 944 CG GLU A 58 115.737 -6.429 -6.844 1.00 0.00 C ATOM 945 CD GLU A 58 114.602 -7.409 -7.148 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.410 -8.326 -6.365 1.00 0.00 O ATOM 947 OE2 GLU A 58 113.947 -7.231 -8.162 1.00 0.00 O ATOM 0 H GLU A 58 117.685 -6.938 -3.402 1.00 0.00 H new ATOM 0 HA GLU A 58 118.183 -5.803 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.631 -7.736 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.506 -6.574 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.372 -5.404 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 58 116.529 -6.532 -7.586 1.00 0.00 H new ATOM 954 N LEU A 59 116.367 -3.926 -3.954 1.00 0.00 N ATOM 955 CA LEU A 59 115.859 -2.529 -3.838 1.00 0.00 C ATOM 956 C LEU A 59 117.021 -1.553 -4.043 1.00 0.00 C ATOM 957 O LEU A 59 116.890 -0.556 -4.724 1.00 0.00 O ATOM 958 CB LEU A 59 115.237 -2.314 -2.446 1.00 0.00 C ATOM 959 CG LEU A 59 114.731 -0.864 -2.288 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.545 -0.606 -3.228 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.289 -0.641 -0.836 1.00 0.00 C ATOM 0 H LEU A 59 116.239 -4.511 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 59 115.097 -2.354 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.411 -3.010 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.976 -2.532 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 59 115.537 -0.176 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.200 0.420 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.858 -0.762 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.734 -1.293 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.930 0.382 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.488 -1.337 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.134 -0.809 -0.169 1.00 0.00 H new ATOM 973 N TYR A 60 118.147 -1.812 -3.437 1.00 0.00 N ATOM 974 CA TYR A 60 119.296 -0.874 -3.583 1.00 0.00 C ATOM 975 C TYR A 60 119.768 -0.786 -5.043 1.00 0.00 C ATOM 976 O TYR A 60 119.987 0.292 -5.560 1.00 0.00 O ATOM 977 CB TYR A 60 120.464 -1.320 -2.702 1.00 0.00 C ATOM 978 CG TYR A 60 121.470 -0.200 -2.681 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.138 1.001 -2.048 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.708 -0.337 -3.320 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.035 2.064 -2.051 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.613 0.730 -3.316 1.00 0.00 C ATOM 983 CZ TYR A 60 123.273 1.931 -2.682 1.00 0.00 C ATOM 984 OH TYR A 60 124.146 2.991 -2.686 1.00 0.00 O ATOM 0 H TYR A 60 118.321 -2.628 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 60 118.954 0.112 -3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.119 -1.544 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.914 -2.232 -3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.182 1.104 -1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 60 122.964 -1.263 -3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.774 2.992 -1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.572 0.627 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 60 124.078 3.474 -1.836 1.00 0.00 H new ATOM 994 N ASN A 61 119.959 -1.898 -5.709 1.00 0.00 N ATOM 995 CA ASN A 61 120.455 -1.836 -7.121 1.00 0.00 C ATOM 996 C ASN A 61 119.478 -1.054 -8.009 1.00 0.00 C ATOM 997 O ASN A 61 119.888 -0.275 -8.846 1.00 0.00 O ATOM 998 CB ASN A 61 120.597 -3.260 -7.680 1.00 0.00 C ATOM 999 CG ASN A 61 121.859 -3.927 -7.126 1.00 0.00 C ATOM 1000 OD1 ASN A 61 121.866 -5.117 -6.884 1.00 0.00 O ATOM 1001 ND2 ASN A 61 122.935 -3.213 -6.929 1.00 0.00 N ATOM 0 H ASN A 61 119.796 -2.836 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 61 121.421 -1.330 -7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 61 119.720 -3.851 -7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 61 120.643 -3.227 -8.769 1.00 0.00 H new ATOM 0 HD21 ASN A 61 123.782 -3.655 -6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 61 122.928 -2.214 -7.133 1.00 0.00 H new ATOM 1008 N LEU A 62 118.200 -1.249 -7.850 1.00 0.00 N ATOM 1009 CA LEU A 62 117.235 -0.503 -8.710 1.00 0.00 C ATOM 1010 C LEU A 62 117.374 1.004 -8.468 1.00 0.00 C ATOM 1011 O LEU A 62 117.292 1.798 -9.383 1.00 0.00 O ATOM 1012 CB LEU A 62 115.798 -0.931 -8.382 1.00 0.00 C ATOM 1013 CG LEU A 62 115.581 -2.410 -8.737 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.159 -2.817 -8.329 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.770 -2.632 -10.252 1.00 0.00 C ATOM 0 H LEU A 62 117.783 -1.885 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 62 117.454 -0.728 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.598 -0.773 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.093 -0.311 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 62 116.311 -3.019 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.995 -3.866 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.033 -2.674 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.437 -2.201 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.613 -3.685 -10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.050 -2.026 -10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.781 -2.343 -10.539 1.00 0.00 H new ATOM 1027 N VAL A 63 117.558 1.402 -7.239 1.00 0.00 N ATOM 1028 CA VAL A 63 117.671 2.858 -6.928 1.00 0.00 C ATOM 1029 C VAL A 63 118.928 3.473 -7.566 1.00 0.00 C ATOM 1030 O VAL A 63 118.843 4.449 -8.285 1.00 0.00 O ATOM 1031 CB VAL A 63 117.712 3.022 -5.403 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.124 4.449 -5.032 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.321 2.726 -4.826 1.00 0.00 C ATOM 0 H VAL A 63 117.635 0.781 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 63 116.810 3.383 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 63 118.442 2.326 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.149 4.550 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.113 4.659 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.404 5.155 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.345 2.841 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.596 3.421 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.033 1.705 -5.076 1.00 0.00 H new ATOM 1043 N ILE A 64 120.089 2.930 -7.318 1.00 0.00 N ATOM 1044 CA ILE A 64 121.320 3.518 -7.926 1.00 0.00 C ATOM 1045 C ILE A 64 121.217 3.441 -9.452 1.00 0.00 C ATOM 1046 O ILE A 64 121.606 4.351 -10.158 1.00 0.00 O ATOM 1047 CB ILE A 64 122.550 2.729 -7.453 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.710 2.864 -5.927 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.816 3.241 -8.150 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.886 4.336 -5.507 1.00 0.00 C ATOM 0 H ILE A 64 120.240 2.113 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 64 121.419 4.559 -7.620 1.00 0.00 H new ATOM 0 HB ILE A 64 122.405 1.679 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.836 2.444 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.573 2.285 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.678 2.671 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.712 3.121 -9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.960 4.296 -7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.996 4.395 -4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.775 4.747 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 64 122.011 4.909 -5.814 1.00 0.00 H new ATOM 1062 N ALA A 65 120.707 2.359 -9.964 1.00 0.00 N ATOM 1063 CA ALA A 65 120.590 2.210 -11.442 1.00 0.00 C ATOM 1064 C ALA A 65 119.868 3.421 -12.042 1.00 0.00 C ATOM 1065 O ALA A 65 119.941 3.666 -13.230 1.00 0.00 O ATOM 1066 CB ALA A 65 119.803 0.937 -11.759 1.00 0.00 C ATOM 0 H ALA A 65 120.364 1.566 -9.421 1.00 0.00 H new ATOM 0 HA ALA A 65 121.588 2.146 -11.875 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.715 0.823 -12.839 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.325 0.074 -11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.808 1.005 -11.319 1.00 0.00 H new ATOM 1072 N ARG A 66 119.163 4.181 -11.240 1.00 0.00 N ATOM 1073 CA ARG A 66 118.431 5.372 -11.782 1.00 0.00 C ATOM 1074 C ARG A 66 119.277 6.642 -11.631 1.00 0.00 C ATOM 1075 O ARG A 66 119.171 7.552 -12.429 1.00 0.00 O ATOM 1076 CB ARG A 66 117.110 5.544 -11.030 1.00 0.00 C ATOM 1077 CG ARG A 66 116.142 4.434 -11.448 1.00 0.00 C ATOM 1078 CD ARG A 66 114.833 4.572 -10.664 1.00 0.00 C ATOM 1079 NE ARG A 66 113.823 3.611 -11.200 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.160 2.373 -11.447 1.00 0.00 C ATOM 1081 NH1 ARG A 66 114.911 2.098 -12.478 1.00 0.00 N ATOM 1082 NH2 ARG A 66 113.745 1.415 -10.667 1.00 0.00 N ATOM 0 H ARG A 66 119.062 4.030 -10.236 1.00 0.00 H new ATOM 0 HA ARG A 66 118.235 5.209 -12.842 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.283 5.506 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.678 6.521 -11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 66 115.945 4.494 -12.518 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.589 3.458 -11.260 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.009 4.377 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.456 5.592 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 66 112.867 3.922 -11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 66 115.233 2.849 -13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.176 1.132 -12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 66 113.156 1.631 -9.863 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.009 0.449 -10.861 1.00 0.00 H new ATOM 1096 N GLY A 67 120.123 6.717 -10.631 1.00 0.00 N ATOM 1097 CA GLY A 67 120.973 7.941 -10.463 1.00 0.00 C ATOM 1098 C GLY A 67 121.123 8.295 -8.981 1.00 0.00 C ATOM 1099 O GLY A 67 121.954 9.103 -8.616 1.00 0.00 O ATOM 0 H GLY A 67 120.262 5.991 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.956 7.771 -10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.525 8.778 -10.999 1.00 0.00 H new ATOM 1103 N GLY A 68 120.336 7.702 -8.119 1.00 0.00 N ATOM 1104 CA GLY A 68 120.446 8.014 -6.658 1.00 0.00 C ATOM 1105 C GLY A 68 119.057 8.096 -6.036 1.00 0.00 C ATOM 1106 O GLY A 68 118.094 8.445 -6.686 1.00 0.00 O ATOM 0 H GLY A 68 119.622 7.015 -8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.033 7.244 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.972 8.958 -6.518 1.00 0.00 H new ATOM 1110 N LEU A 69 118.944 7.778 -4.775 1.00 0.00 N ATOM 1111 CA LEU A 69 117.612 7.842 -4.120 1.00 0.00 C ATOM 1112 C LEU A 69 117.046 9.260 -4.228 1.00 0.00 C ATOM 1113 O LEU A 69 115.890 9.450 -4.547 1.00 0.00 O ATOM 1114 CB LEU A 69 117.748 7.459 -2.641 1.00 0.00 C ATOM 1115 CG LEU A 69 116.402 7.645 -1.914 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.278 6.929 -2.682 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.503 7.047 -0.506 1.00 0.00 C ATOM 0 H LEU A 69 119.713 7.479 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 69 116.936 7.146 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.075 6.423 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.513 8.075 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 69 116.175 8.709 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.333 7.069 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.201 7.346 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.503 5.864 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.553 7.176 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.736 5.985 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.292 7.555 0.049 1.00 0.00 H new ATOM 1129 N VAL A 70 117.841 10.260 -3.954 1.00 0.00 N ATOM 1130 CA VAL A 70 117.318 11.652 -4.037 1.00 0.00 C ATOM 1131 C VAL A 70 116.838 11.928 -5.462 1.00 0.00 C ATOM 1132 O VAL A 70 115.810 12.543 -5.668 1.00 0.00 O ATOM 1133 CB VAL A 70 118.413 12.650 -3.648 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.807 14.052 -3.556 1.00 0.00 C ATOM 1135 CG2 VAL A 70 119.003 12.266 -2.283 1.00 0.00 C ATOM 0 H VAL A 70 118.820 10.174 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 70 116.483 11.766 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 70 119.201 12.634 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.583 14.766 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.385 14.330 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.021 14.060 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.782 12.978 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.216 12.282 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.431 11.265 -2.340 1.00 0.00 H new ATOM 1145 N ASP A 71 117.552 11.465 -6.453 1.00 0.00 N ATOM 1146 CA ASP A 71 117.092 11.698 -7.850 1.00 0.00 C ATOM 1147 C ASP A 71 115.748 10.992 -8.033 1.00 0.00 C ATOM 1148 O ASP A 71 114.841 11.502 -8.659 1.00 0.00 O ATOM 1149 CB ASP A 71 118.115 11.126 -8.835 1.00 0.00 C ATOM 1150 CG ASP A 71 119.366 12.005 -8.842 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.258 13.159 -8.459 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.410 11.513 -9.236 1.00 0.00 O ATOM 0 H ASP A 71 118.423 10.942 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 71 116.986 12.766 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.376 10.106 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.685 11.079 -9.836 1.00 0.00 H new ATOM 1157 N VAL A 72 115.623 9.819 -7.478 1.00 0.00 N ATOM 1158 CA VAL A 72 114.351 9.056 -7.596 1.00 0.00 C ATOM 1159 C VAL A 72 113.210 9.819 -6.901 1.00 0.00 C ATOM 1160 O VAL A 72 112.138 9.978 -7.450 1.00 0.00 O ATOM 1161 CB VAL A 72 114.541 7.683 -6.943 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.196 6.964 -6.820 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.490 6.844 -7.803 1.00 0.00 C ATOM 0 H VAL A 72 116.355 9.353 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 72 114.090 8.932 -8.647 1.00 0.00 H new ATOM 0 HB VAL A 72 114.962 7.817 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.345 5.990 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.520 7.559 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.763 6.830 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.629 5.866 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 72 115.065 6.720 -8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.453 7.349 -7.880 1.00 0.00 H new ATOM 1173 N ILE A 73 113.424 10.282 -5.696 1.00 0.00 N ATOM 1174 CA ILE A 73 112.339 11.022 -4.980 1.00 0.00 C ATOM 1175 C ILE A 73 111.948 12.273 -5.769 1.00 0.00 C ATOM 1176 O ILE A 73 110.787 12.509 -6.043 1.00 0.00 O ATOM 1177 CB ILE A 73 112.839 11.440 -3.597 1.00 0.00 C ATOM 1178 CG1 ILE A 73 113.198 10.194 -2.788 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.741 12.221 -2.872 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.927 10.609 -1.509 1.00 0.00 C ATOM 0 H ILE A 73 114.297 10.181 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 73 111.470 10.371 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 73 113.722 12.070 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 73 112.295 9.636 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.829 9.532 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.097 12.519 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.485 13.109 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.858 11.592 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 73 114.183 9.721 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.838 11.149 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.280 11.254 -0.914 1.00 0.00 H new ATOM 1192 N ASN A 74 112.908 13.080 -6.135 1.00 0.00 N ATOM 1193 CA ASN A 74 112.591 14.316 -6.905 1.00 0.00 C ATOM 1194 C ASN A 74 111.907 13.949 -8.222 1.00 0.00 C ATOM 1195 O ASN A 74 110.933 14.561 -8.616 1.00 0.00 O ATOM 1196 CB ASN A 74 113.881 15.092 -7.183 1.00 0.00 C ATOM 1197 CG ASN A 74 113.553 16.360 -7.976 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.417 16.584 -8.343 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.509 17.202 -8.263 1.00 0.00 N ATOM 0 H ASN A 74 113.898 12.936 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 74 111.916 14.941 -6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.370 15.353 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.579 14.470 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.302 18.047 -8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.463 17.015 -7.955 1.00 0.00 H new ATOM 1206 N LYS A 75 112.395 12.949 -8.906 1.00 0.00 N ATOM 1207 CA LYS A 75 111.753 12.551 -10.190 1.00 0.00 C ATOM 1208 C LYS A 75 110.513 11.714 -9.875 1.00 0.00 C ATOM 1209 O LYS A 75 109.676 11.475 -10.723 1.00 0.00 O ATOM 1210 CB LYS A 75 112.734 11.732 -11.032 1.00 0.00 C ATOM 1211 CG LYS A 75 113.858 12.641 -11.537 1.00 0.00 C ATOM 1212 CD LYS A 75 114.839 11.821 -12.380 1.00 0.00 C ATOM 1213 CE LYS A 75 115.964 12.726 -12.886 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.386 13.829 -13.704 1.00 0.00 N ATOM 0 H LYS A 75 113.206 12.394 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 75 111.469 13.439 -10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.149 10.919 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.214 11.277 -11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.443 13.454 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.378 13.096 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.253 11.007 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 75 114.318 11.366 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 75 116.521 13.137 -12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 75 116.669 12.148 -13.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.121 14.222 -14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 114.604 13.460 -14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 115.029 14.577 -13.076 1.00 0.00 H new ATOM 1228 N LYS A 76 110.386 11.278 -8.650 1.00 0.00 N ATOM 1229 CA LYS A 76 109.199 10.468 -8.255 1.00 0.00 C ATOM 1230 C LYS A 76 109.077 9.246 -9.173 1.00 0.00 C ATOM 1231 O LYS A 76 108.057 9.026 -9.796 1.00 0.00 O ATOM 1232 CB LYS A 76 107.939 11.328 -8.374 1.00 0.00 C ATOM 1233 CG LYS A 76 106.781 10.650 -7.639 1.00 0.00 C ATOM 1234 CD LYS A 76 105.570 11.591 -7.616 1.00 0.00 C ATOM 1235 CE LYS A 76 105.085 11.858 -9.049 1.00 0.00 C ATOM 1236 NZ LYS A 76 103.631 12.188 -9.025 1.00 0.00 N ATOM 0 H LYS A 76 111.058 11.450 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 76 109.316 10.131 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.121 12.317 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.682 11.471 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.519 9.715 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 76 107.079 10.399 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 76 104.766 11.148 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.838 12.531 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 76 105.649 12.681 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.260 10.982 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.300 12.369 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 103.100 11.390 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 103.477 13.036 -8.442 1.00 0.00 H new ATOM 1250 N LEU A 77 110.112 8.449 -9.258 1.00 0.00 N ATOM 1251 CA LEU A 77 110.073 7.233 -10.132 1.00 0.00 C ATOM 1252 C LEU A 77 109.777 5.998 -9.276 1.00 0.00 C ATOM 1253 O LEU A 77 110.126 4.890 -9.632 1.00 0.00 O ATOM 1254 CB LEU A 77 111.431 7.049 -10.815 1.00 0.00 C ATOM 1255 CG LEU A 77 111.754 8.269 -11.687 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.164 8.107 -12.266 1.00 0.00 C ATOM 1257 CD2 LEU A 77 110.730 8.390 -12.832 1.00 0.00 C ATOM 0 H LEU A 77 110.989 8.588 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 77 109.295 7.357 -10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.209 6.913 -10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 77 111.419 6.148 -11.428 1.00 0.00 H new ATOM 0 HG LEU A 77 111.705 9.173 -11.080 1.00 0.00 H new ATOM 0 HD11 LEU A 77 113.403 8.970 -12.888 1.00 0.00 H new ATOM 0 HD12 LEU A 77 113.885 8.035 -11.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.207 7.201 -12.870 1.00 0.00 H new ATOM 0 HD21 LEU A 77 110.970 9.260 -13.444 1.00 0.00 H new ATOM 0 HD22 LEU A 77 110.765 7.492 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 77 109.730 8.505 -12.415 1.00 0.00 H new ATOM 1269 N TRP A 78 109.144 6.177 -8.148 1.00 0.00 N ATOM 1270 CA TRP A 78 108.837 5.010 -7.269 1.00 0.00 C ATOM 1271 C TRP A 78 107.966 4.008 -8.031 1.00 0.00 C ATOM 1272 O TRP A 78 107.991 2.823 -7.763 1.00 0.00 O ATOM 1273 CB TRP A 78 108.082 5.485 -6.024 1.00 0.00 C ATOM 1274 CG TRP A 78 109.016 6.205 -5.102 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.078 7.548 -4.956 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.013 5.649 -4.194 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.046 7.852 -4.016 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.652 6.717 -3.519 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.423 4.336 -3.893 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.659 6.492 -2.581 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.437 4.108 -2.947 1.00 0.00 C ATOM 1282 CH2 TRP A 78 112.054 5.183 -2.293 1.00 0.00 C ATOM 0 H TRP A 78 108.826 7.080 -7.797 1.00 0.00 H new ATOM 0 HA TRP A 78 109.771 4.533 -6.971 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.264 6.145 -6.314 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.637 4.632 -5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.471 8.266 -5.487 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.283 8.801 -3.726 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.956 3.500 -4.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.131 7.324 -2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.743 3.097 -2.722 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.833 5.000 -1.568 1.00 0.00 H new ATOM 1293 N GLN A 79 107.197 4.470 -8.976 1.00 0.00 N ATOM 1294 CA GLN A 79 106.328 3.538 -9.749 1.00 0.00 C ATOM 1295 C GLN A 79 107.203 2.500 -10.450 1.00 0.00 C ATOM 1296 O GLN A 79 106.865 1.337 -10.518 1.00 0.00 O ATOM 1297 CB GLN A 79 105.535 4.322 -10.797 1.00 0.00 C ATOM 1298 CG GLN A 79 104.483 5.193 -10.107 1.00 0.00 C ATOM 1299 CD GLN A 79 103.408 4.306 -9.478 1.00 0.00 C ATOM 1300 OE1 GLN A 79 102.915 3.389 -10.104 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.016 4.545 -8.255 1.00 0.00 N ATOM 0 H GLN A 79 107.132 5.451 -9.247 1.00 0.00 H new ATOM 0 HA GLN A 79 105.636 3.040 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 79 106.209 4.946 -11.384 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.052 3.634 -11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.953 5.809 -9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.030 5.873 -10.829 1.00 0.00 H new ATOM 0 HE21 GLN A 79 103.429 5.315 -7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.297 3.962 -7.827 1.00 0.00 H new ATOM 1310 N GLU A 80 108.328 2.905 -10.972 1.00 0.00 N ATOM 1311 CA GLU A 80 109.209 1.926 -11.667 1.00 0.00 C ATOM 1312 C GLU A 80 109.624 0.828 -10.687 1.00 0.00 C ATOM 1313 O GLU A 80 109.669 -0.335 -11.036 1.00 0.00 O ATOM 1314 CB GLU A 80 110.457 2.641 -12.192 1.00 0.00 C ATOM 1315 CG GLU A 80 110.072 3.553 -13.359 1.00 0.00 C ATOM 1316 CD GLU A 80 111.295 4.358 -13.803 1.00 0.00 C ATOM 1317 OE1 GLU A 80 112.325 4.233 -13.162 1.00 0.00 O ATOM 1318 OE2 GLU A 80 111.181 5.083 -14.776 1.00 0.00 O ATOM 0 H GLU A 80 108.673 3.865 -10.948 1.00 0.00 H new ATOM 0 HA GLU A 80 108.668 1.482 -12.503 1.00 0.00 H new ATOM 0 HB2 GLU A 80 110.915 3.227 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.198 1.910 -12.517 1.00 0.00 H new ATOM 0 HG2 GLU A 80 109.694 2.958 -14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 80 109.270 4.227 -13.058 1.00 0.00 H new ATOM 1325 N ILE A 81 109.913 1.175 -9.464 1.00 0.00 N ATOM 1326 CA ILE A 81 110.306 0.130 -8.480 1.00 0.00 C ATOM 1327 C ILE A 81 109.078 -0.729 -8.159 1.00 0.00 C ATOM 1328 O ILE A 81 109.166 -1.934 -8.030 1.00 0.00 O ATOM 1329 CB ILE A 81 110.823 0.801 -7.201 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.169 1.477 -7.485 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.006 -0.252 -6.105 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.513 2.435 -6.343 1.00 0.00 C ATOM 0 H ILE A 81 109.894 2.130 -9.106 1.00 0.00 H new ATOM 0 HA ILE A 81 111.095 -0.498 -8.894 1.00 0.00 H new ATOM 0 HB ILE A 81 110.102 1.548 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 81 112.950 0.724 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.122 2.021 -8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.373 0.227 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.050 -0.733 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.725 -1.001 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.470 2.915 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.736 3.195 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.578 1.878 -5.408 1.00 0.00 H new ATOM 1344 N ILE A 82 107.931 -0.115 -8.031 1.00 0.00 N ATOM 1345 CA ILE A 82 106.694 -0.889 -7.721 1.00 0.00 C ATOM 1346 C ILE A 82 106.387 -1.865 -8.862 1.00 0.00 C ATOM 1347 O ILE A 82 105.980 -2.986 -8.628 1.00 0.00 O ATOM 1348 CB ILE A 82 105.520 0.073 -7.521 1.00 0.00 C ATOM 1349 CG1 ILE A 82 105.739 0.867 -6.229 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.215 -0.723 -7.406 1.00 0.00 C ATOM 1351 CD1 ILE A 82 104.730 2.018 -6.139 1.00 0.00 C ATOM 0 H ILE A 82 107.798 0.892 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 82 106.848 -1.458 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 82 105.457 0.752 -8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.630 0.210 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 82 106.755 1.261 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.381 -0.036 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.059 -1.299 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.276 -1.401 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 82 104.895 2.575 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 82 104.859 2.683 -6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 82 103.717 1.615 -6.143 1.00 0.00 H new ATOM 1363 N LYS A 83 106.567 -1.460 -10.094 1.00 0.00 N ATOM 1364 CA LYS A 83 106.265 -2.396 -11.215 1.00 0.00 C ATOM 1365 C LYS A 83 107.155 -3.624 -11.059 1.00 0.00 C ATOM 1366 O LYS A 83 106.707 -4.747 -11.182 1.00 0.00 O ATOM 1367 CB LYS A 83 106.562 -1.723 -12.557 1.00 0.00 C ATOM 1368 CG LYS A 83 105.534 -0.620 -12.824 1.00 0.00 C ATOM 1369 CD LYS A 83 105.840 0.046 -14.167 1.00 0.00 C ATOM 1370 CE LYS A 83 104.814 1.148 -14.436 1.00 0.00 C ATOM 1371 NZ LYS A 83 104.963 2.220 -13.413 1.00 0.00 N ATOM 0 H LYS A 83 106.904 -0.537 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 83 105.212 -2.677 -11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 83 107.567 -1.301 -12.548 1.00 0.00 H new ATOM 0 HB3 LYS A 83 106.533 -2.461 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 83 104.528 -1.040 -12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 83 105.562 0.120 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 83 106.846 0.466 -14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 83 105.812 -0.694 -14.967 1.00 0.00 H new ATOM 0 HE2 LYS A 83 104.959 1.560 -15.435 1.00 0.00 H new ATOM 0 HE3 LYS A 83 103.805 0.737 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 104.971 3.148 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 104.167 2.176 -12.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 105.855 2.085 -12.896 1.00 0.00 H new ATOM 1385 N GLY A 84 108.404 -3.422 -10.747 1.00 0.00 N ATOM 1386 CA GLY A 84 109.305 -4.585 -10.538 1.00 0.00 C ATOM 1387 C GLY A 84 108.865 -5.284 -9.252 1.00 0.00 C ATOM 1388 O GLY A 84 108.732 -6.490 -9.192 1.00 0.00 O ATOM 0 H GLY A 84 108.837 -2.506 -10.628 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.249 -5.270 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.342 -4.257 -10.461 1.00 0.00 H new ATOM 1392 N LEU A 85 108.619 -4.509 -8.226 1.00 0.00 N ATOM 1393 CA LEU A 85 108.160 -5.069 -6.919 1.00 0.00 C ATOM 1394 C LEU A 85 106.631 -4.952 -6.855 1.00 0.00 C ATOM 1395 O LEU A 85 106.087 -4.317 -5.974 1.00 0.00 O ATOM 1396 CB LEU A 85 108.785 -4.269 -5.764 1.00 0.00 C ATOM 1397 CG LEU A 85 110.269 -4.643 -5.571 1.00 0.00 C ATOM 1398 CD1 LEU A 85 110.407 -6.068 -5.007 1.00 0.00 C ATOM 1399 CD2 LEU A 85 111.009 -4.546 -6.910 1.00 0.00 C ATOM 0 H LEU A 85 108.719 -3.494 -8.240 1.00 0.00 H new ATOM 0 HA LEU A 85 108.464 -6.112 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 85 108.699 -3.202 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 85 108.235 -4.463 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 85 110.708 -3.944 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 85 111.463 -6.308 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 85 109.902 -6.128 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 85 109.954 -6.778 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 85 112.056 -4.811 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 85 110.556 -5.231 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 110.942 -3.527 -7.290 1.00 0.00 H new ATOM 1411 N HIS A 86 105.949 -5.536 -7.812 1.00 0.00 N ATOM 1412 CA HIS A 86 104.451 -5.461 -7.872 1.00 0.00 C ATOM 1413 C HIS A 86 103.827 -5.476 -6.471 1.00 0.00 C ATOM 1414 O HIS A 86 104.434 -5.894 -5.505 1.00 0.00 O ATOM 1415 CB HIS A 86 103.922 -6.664 -8.655 1.00 0.00 C ATOM 1416 CG HIS A 86 104.364 -6.574 -10.088 1.00 0.00 C ATOM 1417 ND1 HIS A 86 105.355 -7.392 -10.608 1.00 0.00 N ATOM 1418 CD2 HIS A 86 103.956 -5.773 -11.127 1.00 0.00 C ATOM 1419 CE1 HIS A 86 105.507 -7.070 -11.905 1.00 0.00 C ATOM 1420 NE2 HIS A 86 104.679 -6.090 -12.274 1.00 0.00 N ATOM 0 H HIS A 86 106.374 -6.072 -8.569 1.00 0.00 H new ATOM 0 HA HIS A 86 104.180 -4.525 -8.360 1.00 0.00 H new ATOM 0 HB2 HIS A 86 104.288 -7.589 -8.209 1.00 0.00 H new ATOM 0 HB3 HIS A 86 102.834 -6.694 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 86 103.191 -5.013 -11.064 1.00 0.00 H new ATOM 0 HE1 HIS A 86 106.214 -7.547 -12.568 1.00 0.00 H new ATOM 0 HE2 HIS A 86 104.594 -5.665 -13.197 1.00 0.00 H new ATOM 1428 N LEU A 87 102.604 -5.019 -6.364 1.00 0.00 N ATOM 1429 CA LEU A 87 101.919 -4.992 -5.041 1.00 0.00 C ATOM 1430 C LEU A 87 101.849 -6.433 -4.477 1.00 0.00 C ATOM 1431 O LEU A 87 101.248 -7.291 -5.093 1.00 0.00 O ATOM 1432 CB LEU A 87 100.489 -4.471 -5.233 1.00 0.00 C ATOM 1433 CG LEU A 87 100.497 -2.949 -5.432 1.00 0.00 C ATOM 1434 CD1 LEU A 87 101.163 -2.597 -6.767 1.00 0.00 C ATOM 1435 CD2 LEU A 87 99.052 -2.442 -5.435 1.00 0.00 C ATOM 0 H LEU A 87 102.050 -4.662 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 87 102.467 -4.347 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.032 -4.955 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 87 99.882 -4.728 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 87 101.057 -2.480 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 87 101.164 -1.515 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 87 102.189 -2.964 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.610 -3.062 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.046 -1.361 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 87 98.501 -2.917 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.579 -2.687 -4.484 1.00 0.00 H new ATOM 1447 N PRO A 88 102.438 -6.722 -3.326 1.00 0.00 N ATOM 1448 CA PRO A 88 102.373 -8.110 -2.771 1.00 0.00 C ATOM 1449 C PRO A 88 100.946 -8.576 -2.436 1.00 0.00 C ATOM 1450 O PRO A 88 100.522 -9.637 -2.849 1.00 0.00 O ATOM 1451 CB PRO A 88 103.220 -8.007 -1.489 1.00 0.00 C ATOM 1452 CG PRO A 88 103.756 -6.569 -1.355 1.00 0.00 C ATOM 1453 CD PRO A 88 103.206 -5.727 -2.517 1.00 0.00 C ATOM 0 HA PRO A 88 102.728 -8.845 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 88 102.618 -8.267 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 88 104.048 -8.715 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 88 103.452 -6.140 -0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 88 104.846 -6.569 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.567 -4.918 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 88 104.007 -5.269 -3.097 1.00 0.00 H new ATOM 1461 N SER A 89 100.218 -7.798 -1.675 1.00 0.00 N ATOM 1462 CA SER A 89 98.829 -8.188 -1.283 1.00 0.00 C ATOM 1463 C SER A 89 97.914 -7.038 -1.641 1.00 0.00 C ATOM 1464 O SER A 89 97.024 -6.669 -0.901 1.00 0.00 O ATOM 1465 CB SER A 89 98.772 -8.443 0.224 1.00 0.00 C ATOM 1466 OG SER A 89 97.520 -9.031 0.556 1.00 0.00 O ATOM 0 H SER A 89 100.530 -6.900 -1.305 1.00 0.00 H new ATOM 0 HA SER A 89 98.524 -9.097 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.587 -9.102 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 89 98.903 -7.507 0.768 1.00 0.00 H new ATOM 0 HG SER A 89 96.794 -8.460 0.230 1.00 0.00 H new ATOM 1472 N SER A 90 98.155 -6.452 -2.772 1.00 0.00 N ATOM 1473 CA SER A 90 97.337 -5.291 -3.208 1.00 0.00 C ATOM 1474 C SER A 90 97.660 -4.113 -2.286 1.00 0.00 C ATOM 1475 O SER A 90 96.857 -3.221 -2.093 1.00 0.00 O ATOM 1476 CB SER A 90 95.836 -5.646 -3.158 1.00 0.00 C ATOM 1477 OG SER A 90 95.282 -5.484 -4.456 1.00 0.00 O ATOM 0 H SER A 90 98.891 -6.729 -3.422 1.00 0.00 H new ATOM 0 HA SER A 90 97.571 -5.023 -4.238 1.00 0.00 H new ATOM 0 HB2 SER A 90 95.702 -6.672 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 90 95.320 -5.003 -2.445 1.00 0.00 H new ATOM 0 HG SER A 90 94.328 -5.709 -4.435 1.00 0.00 H new ATOM 1483 N ILE A 91 98.846 -4.097 -1.732 1.00 0.00 N ATOM 1484 CA ILE A 91 99.230 -2.972 -0.844 1.00 0.00 C ATOM 1485 C ILE A 91 99.639 -1.808 -1.736 1.00 0.00 C ATOM 1486 O ILE A 91 100.692 -1.808 -2.342 1.00 0.00 O ATOM 1487 CB ILE A 91 100.408 -3.381 0.047 1.00 0.00 C ATOM 1488 CG1 ILE A 91 100.054 -4.660 0.811 1.00 0.00 C ATOM 1489 CG2 ILE A 91 100.710 -2.264 1.051 1.00 0.00 C ATOM 1490 CD1 ILE A 91 101.228 -5.061 1.708 1.00 0.00 C ATOM 0 H ILE A 91 99.559 -4.815 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 91 98.397 -2.693 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 91 101.284 -3.556 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 91 99.160 -4.500 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 91 99.827 -5.464 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 91 101.548 -2.559 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 91 100.965 -1.351 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 91 99.832 -2.086 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 91 100.976 -5.971 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 91 102.111 -5.238 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 91 101.434 -4.260 2.418 1.00 0.00 H new ATOM 1502 N THR A 92 98.796 -0.829 -1.838 1.00 0.00 N ATOM 1503 CA THR A 92 99.094 0.341 -2.709 1.00 0.00 C ATOM 1504 C THR A 92 99.840 1.381 -1.884 1.00 0.00 C ATOM 1505 O THR A 92 99.776 2.568 -2.137 1.00 0.00 O ATOM 1506 CB THR A 92 97.767 0.915 -3.224 1.00 0.00 C ATOM 1507 OG1 THR A 92 97.314 1.925 -2.332 1.00 0.00 O ATOM 1508 CG2 THR A 92 96.721 -0.210 -3.292 1.00 0.00 C ATOM 0 H THR A 92 97.901 -0.785 -1.351 1.00 0.00 H new ATOM 0 HA THR A 92 99.711 0.050 -3.559 1.00 0.00 H new ATOM 0 HB THR A 92 97.912 1.342 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 92 97.967 2.656 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 92 95.776 0.193 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 92 97.069 -0.990 -3.969 1.00 0.00 H new ATOM 0 HG23 THR A 92 96.575 -0.632 -2.298 1.00 0.00 H new ATOM 1516 N SER A 93 100.556 0.919 -0.897 1.00 0.00 N ATOM 1517 CA SER A 93 101.345 1.823 -0.013 1.00 0.00 C ATOM 1518 C SER A 93 102.807 1.368 -0.046 1.00 0.00 C ATOM 1519 O SER A 93 103.606 1.734 0.794 1.00 0.00 O ATOM 1520 CB SER A 93 100.789 1.723 1.409 1.00 0.00 C ATOM 1521 OG SER A 93 101.146 2.890 2.138 1.00 0.00 O ATOM 0 H SER A 93 100.629 -0.071 -0.661 1.00 0.00 H new ATOM 0 HA SER A 93 101.279 2.858 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 93 99.705 1.616 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 93 101.184 0.836 1.904 1.00 0.00 H new ATOM 0 HG SER A 93 100.789 2.829 3.049 1.00 0.00 H new ATOM 1527 N ALA A 94 103.151 0.553 -1.010 1.00 0.00 N ATOM 1528 CA ALA A 94 104.547 0.041 -1.110 1.00 0.00 C ATOM 1529 C ALA A 94 105.526 1.205 -1.272 1.00 0.00 C ATOM 1530 O ALA A 94 106.576 1.227 -0.661 1.00 0.00 O ATOM 1531 CB ALA A 94 104.658 -0.888 -2.320 1.00 0.00 C ATOM 0 H ALA A 94 102.518 0.219 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 94 104.793 -0.505 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 94 105.678 -1.265 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 94 103.970 -1.725 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 94 104.405 -0.337 -3.226 1.00 0.00 H new ATOM 1537 N ALA A 95 105.203 2.175 -2.083 1.00 0.00 N ATOM 1538 CA ALA A 95 106.138 3.323 -2.251 1.00 0.00 C ATOM 1539 C ALA A 95 106.356 3.965 -0.884 1.00 0.00 C ATOM 1540 O ALA A 95 107.471 4.198 -0.461 1.00 0.00 O ATOM 1541 CB ALA A 95 105.537 4.352 -3.221 1.00 0.00 C ATOM 0 H ALA A 95 104.344 2.223 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 95 107.087 2.976 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.227 5.188 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.368 3.883 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.590 4.716 -2.824 1.00 0.00 H new ATOM 1547 N PHE A 96 105.292 4.243 -0.187 1.00 0.00 N ATOM 1548 CA PHE A 96 105.425 4.860 1.161 1.00 0.00 C ATOM 1549 C PHE A 96 106.230 3.924 2.067 1.00 0.00 C ATOM 1550 O PHE A 96 107.146 4.338 2.750 1.00 0.00 O ATOM 1551 CB PHE A 96 104.036 5.092 1.756 1.00 0.00 C ATOM 1552 CG PHE A 96 104.168 5.717 3.124 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.310 7.105 3.245 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.138 4.914 4.271 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.424 7.689 4.511 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.252 5.500 5.538 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.395 6.887 5.658 1.00 0.00 C ATOM 0 H PHE A 96 104.334 4.070 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 96 105.942 5.816 1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.454 5.742 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.498 4.147 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.331 7.725 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 96 104.027 3.844 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.534 8.759 4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.230 4.881 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.483 7.338 6.635 1.00 0.00 H new ATOM 1567 N THR A 97 105.891 2.662 2.079 1.00 0.00 N ATOM 1568 CA THR A 97 106.628 1.691 2.939 1.00 0.00 C ATOM 1569 C THR A 97 108.100 1.630 2.522 1.00 0.00 C ATOM 1570 O THR A 97 108.986 1.559 3.348 1.00 0.00 O ATOM 1571 CB THR A 97 106.000 0.300 2.777 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.636 0.351 3.171 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.750 -0.725 3.637 1.00 0.00 C ATOM 0 H THR A 97 105.132 2.261 1.528 1.00 0.00 H new ATOM 0 HA THR A 97 106.565 2.013 3.979 1.00 0.00 H new ATOM 0 HB THR A 97 106.069 -0.003 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.111 0.799 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 97 106.294 -1.707 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.794 -0.767 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.696 -0.430 4.685 1.00 0.00 H new ATOM 1581 N LEU A 98 108.365 1.639 1.247 1.00 0.00 N ATOM 1582 CA LEU A 98 109.779 1.566 0.779 1.00 0.00 C ATOM 1583 C LEU A 98 110.548 2.846 1.137 1.00 0.00 C ATOM 1584 O LEU A 98 111.587 2.794 1.762 1.00 0.00 O ATOM 1585 CB LEU A 98 109.794 1.367 -0.740 1.00 0.00 C ATOM 1586 CG LEU A 98 109.370 -0.069 -1.094 1.00 0.00 C ATOM 1587 CD1 LEU A 98 109.063 -0.145 -2.595 1.00 0.00 C ATOM 1588 CD2 LEU A 98 110.497 -1.068 -0.755 1.00 0.00 C ATOM 0 H LEU A 98 107.665 1.694 0.507 1.00 0.00 H new ATOM 0 HA LEU A 98 110.267 0.727 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.119 2.080 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.792 1.565 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 98 108.485 -0.329 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.762 -1.160 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 98 108.255 0.546 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.954 0.125 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 98 110.178 -2.078 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.392 -0.814 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.719 -1.018 0.311 1.00 0.00 H new ATOM 1600 N ARG A 99 110.073 3.990 0.720 1.00 0.00 N ATOM 1601 CA ARG A 99 110.819 5.249 1.017 1.00 0.00 C ATOM 1602 C ARG A 99 110.968 5.465 2.530 1.00 0.00 C ATOM 1603 O ARG A 99 112.000 5.905 2.993 1.00 0.00 O ATOM 1604 CB ARG A 99 110.108 6.451 0.379 1.00 0.00 C ATOM 1605 CG ARG A 99 108.812 6.766 1.123 1.00 0.00 C ATOM 1606 CD ARG A 99 108.025 7.827 0.344 1.00 0.00 C ATOM 1607 NE ARG A 99 107.440 7.222 -0.886 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.673 7.938 -1.667 1.00 0.00 C ATOM 1609 NH1 ARG A 99 105.401 8.061 -1.400 1.00 0.00 N ATOM 1610 NH2 ARG A 99 107.179 8.532 -2.714 1.00 0.00 N ATOM 0 H ARG A 99 109.209 4.108 0.191 1.00 0.00 H new ATOM 0 HA ARG A 99 111.817 5.156 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.765 7.321 0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.890 6.238 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.214 5.862 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.034 7.126 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.233 8.238 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.681 8.655 0.076 1.00 0.00 H new ATOM 0 HE ARG A 99 107.638 6.249 -1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 99 105.005 7.599 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 99 104.804 8.620 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.173 8.438 -2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.580 9.090 -3.323 1.00 0.00 H new ATOM 1624 N THR A 100 109.959 5.183 3.312 1.00 0.00 N ATOM 1625 CA THR A 100 110.095 5.410 4.783 1.00 0.00 C ATOM 1626 C THR A 100 111.058 4.384 5.399 1.00 0.00 C ATOM 1627 O THR A 100 111.923 4.731 6.179 1.00 0.00 O ATOM 1628 CB THR A 100 108.716 5.332 5.463 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.766 6.032 6.699 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.323 3.875 5.724 1.00 0.00 C ATOM 0 H THR A 100 109.060 4.811 3.004 1.00 0.00 H new ATOM 0 HA THR A 100 110.507 6.406 4.945 1.00 0.00 H new ATOM 0 HB THR A 100 107.973 5.782 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.890 5.987 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.345 3.842 6.205 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.280 3.335 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.063 3.409 6.375 1.00 0.00 H new ATOM 1638 N GLN A 101 110.924 3.126 5.062 1.00 0.00 N ATOM 1639 CA GLN A 101 111.846 2.113 5.650 1.00 0.00 C ATOM 1640 C GLN A 101 113.263 2.381 5.147 1.00 0.00 C ATOM 1641 O GLN A 101 114.225 2.292 5.886 1.00 0.00 O ATOM 1642 CB GLN A 101 111.417 0.703 5.225 1.00 0.00 C ATOM 1643 CG GLN A 101 110.105 0.328 5.919 1.00 0.00 C ATOM 1644 CD GLN A 101 109.687 -1.080 5.488 1.00 0.00 C ATOM 1645 OE1 GLN A 101 108.842 -1.693 6.110 1.00 0.00 O ATOM 1646 NE2 GLN A 101 110.247 -1.625 4.442 1.00 0.00 N ATOM 0 H GLN A 101 110.225 2.762 4.414 1.00 0.00 H new ATOM 0 HA GLN A 101 111.814 2.183 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.291 0.662 4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.194 -0.017 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.229 0.367 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.326 1.046 5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 101 110.957 -1.112 3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 101 109.975 -2.563 4.149 1.00 0.00 H new ATOM 1655 N TYR A 102 113.394 2.718 3.896 1.00 0.00 N ATOM 1656 CA TYR A 102 114.741 3.004 3.337 1.00 0.00 C ATOM 1657 C TYR A 102 115.357 4.171 4.109 1.00 0.00 C ATOM 1658 O TYR A 102 116.481 4.120 4.562 1.00 0.00 O ATOM 1659 CB TYR A 102 114.586 3.399 1.864 1.00 0.00 C ATOM 1660 CG TYR A 102 115.935 3.432 1.170 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.849 4.462 1.435 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.266 2.428 0.248 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.087 4.484 0.778 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.502 2.455 -0.407 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.411 3.482 -0.141 1.00 0.00 C ATOM 1666 OH TYR A 102 119.628 3.510 -0.789 1.00 0.00 O ATOM 0 H TYR A 102 112.623 2.808 3.235 1.00 0.00 H new ATOM 0 HA TYR A 102 115.382 2.126 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.930 2.690 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.112 4.378 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.599 5.237 2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.565 1.632 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.792 5.277 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.753 1.682 -1.118 1.00 0.00 H new ATOM 0 HH TYR A 102 119.728 2.700 -1.332 1.00 0.00 H new ATOM 1676 N MET A 103 114.620 5.233 4.254 1.00 0.00 N ATOM 1677 CA MET A 103 115.152 6.417 4.975 1.00 0.00 C ATOM 1678 C MET A 103 115.457 6.077 6.433 1.00 0.00 C ATOM 1679 O MET A 103 116.359 6.634 7.026 1.00 0.00 O ATOM 1680 CB MET A 103 114.139 7.563 4.904 1.00 0.00 C ATOM 1681 CG MET A 103 114.075 8.096 3.469 1.00 0.00 C ATOM 1682 SD MET A 103 112.762 9.339 3.330 1.00 0.00 S ATOM 1683 CE MET A 103 113.557 10.653 4.287 1.00 0.00 C ATOM 0 H MET A 103 113.668 5.332 3.902 1.00 0.00 H new ATOM 0 HA MET A 103 116.082 6.725 4.496 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.155 7.214 5.218 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.428 8.361 5.588 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.034 8.534 3.192 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.887 7.276 2.775 1.00 0.00 H new ATOM 0 HE1 MET A 103 113.112 11.613 4.026 1.00 0.00 H new ATOM 0 HE2 MET A 103 113.416 10.464 5.351 1.00 0.00 H new ATOM 0 HE3 MET A 103 114.623 10.674 4.061 1.00 0.00 H new ATOM 1693 N LYS A 104 114.704 5.202 7.035 1.00 0.00 N ATOM 1694 CA LYS A 104 114.950 4.886 8.456 1.00 0.00 C ATOM 1695 C LYS A 104 116.381 4.327 8.651 1.00 0.00 C ATOM 1696 O LYS A 104 117.056 4.684 9.595 1.00 0.00 O ATOM 1697 CB LYS A 104 113.905 3.846 8.908 1.00 0.00 C ATOM 1698 CG LYS A 104 113.522 4.058 10.378 1.00 0.00 C ATOM 1699 CD LYS A 104 114.766 4.098 11.268 1.00 0.00 C ATOM 1700 CE LYS A 104 114.330 4.090 12.728 1.00 0.00 C ATOM 1701 NZ LYS A 104 113.920 2.713 13.122 1.00 0.00 N ATOM 0 H LYS A 104 113.932 4.696 6.601 1.00 0.00 H new ATOM 0 HA LYS A 104 114.862 5.792 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 104 113.016 3.922 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.305 2.841 8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 104 112.966 4.990 10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 104 112.862 3.255 10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 104 115.405 3.240 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 104 115.353 4.991 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 104 115.147 4.432 13.363 1.00 0.00 H new ATOM 0 HE3 LYS A 104 113.501 4.782 12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 113.672 2.700 14.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 113.096 2.422 12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 114.706 2.054 12.951 1.00 0.00 H new ATOM 1715 N TYR A 105 116.846 3.438 7.787 1.00 0.00 N ATOM 1716 CA TYR A 105 118.227 2.852 7.977 1.00 0.00 C ATOM 1717 C TYR A 105 119.089 2.914 6.703 1.00 0.00 C ATOM 1718 O TYR A 105 120.261 2.596 6.760 1.00 0.00 O ATOM 1719 CB TYR A 105 118.106 1.368 8.348 1.00 0.00 C ATOM 1720 CG TYR A 105 117.325 1.190 9.628 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.967 1.332 10.865 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.964 0.865 9.577 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.244 1.152 12.050 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.243 0.681 10.762 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.883 0.827 11.999 1.00 0.00 C ATOM 1726 OH TYR A 105 115.172 0.645 13.169 1.00 0.00 O ATOM 0 H TYR A 105 116.338 3.097 6.971 1.00 0.00 H new ATOM 0 HA TYR A 105 118.702 3.445 8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.614 0.827 7.540 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.100 0.936 8.462 1.00 0.00 H new ATOM 0 HD1 TYR A 105 119.017 1.580 10.904 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.470 0.756 8.623 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.736 1.264 13.005 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.194 0.427 10.723 1.00 0.00 H new ATOM 0 HH TYR A 105 114.677 -0.200 13.123 1.00 0.00 H new ATOM 1736 N LEU A 106 118.544 3.252 5.551 1.00 0.00 N ATOM 1737 CA LEU A 106 119.387 3.238 4.294 1.00 0.00 C ATOM 1738 C LEU A 106 119.694 4.647 3.752 1.00 0.00 C ATOM 1739 O LEU A 106 120.605 4.802 2.963 1.00 0.00 O ATOM 1740 CB LEU A 106 118.662 2.411 3.218 1.00 0.00 C ATOM 1741 CG LEU A 106 118.751 0.902 3.560 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.574 0.143 2.919 1.00 0.00 C ATOM 1743 CD2 LEU A 106 120.072 0.315 3.033 1.00 0.00 C ATOM 0 H LEU A 106 117.572 3.532 5.423 1.00 0.00 H new ATOM 0 HA LEU A 106 120.347 2.790 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.618 2.717 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.109 2.598 2.241 1.00 0.00 H new ATOM 0 HG LEU A 106 118.710 0.792 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.647 -0.916 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.634 0.541 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.608 0.266 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 106 120.123 -0.746 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 106 120.119 0.439 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.911 0.835 3.495 1.00 0.00 H new ATOM 1755 N TYR A 107 118.990 5.680 4.139 1.00 0.00 N ATOM 1756 CA TYR A 107 119.350 7.022 3.577 1.00 0.00 C ATOM 1757 C TYR A 107 120.765 7.423 4.037 1.00 0.00 C ATOM 1758 O TYR A 107 121.514 7.982 3.261 1.00 0.00 O ATOM 1759 CB TYR A 107 118.303 8.103 3.939 1.00 0.00 C ATOM 1760 CG TYR A 107 118.886 9.485 3.751 1.00 0.00 C ATOM 1761 CD1 TYR A 107 118.836 10.094 2.491 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.469 10.156 4.831 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.369 11.374 2.311 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.003 11.438 4.650 1.00 0.00 C ATOM 1765 CZ TYR A 107 119.953 12.046 3.391 1.00 0.00 C ATOM 1766 OH TYR A 107 120.477 13.311 3.214 1.00 0.00 O ATOM 0 H TYR A 107 118.209 5.660 4.795 1.00 0.00 H new ATOM 0 HA TYR A 107 119.348 6.946 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.419 7.986 3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 107 117.981 7.975 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.386 9.575 1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.507 9.686 5.803 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.330 11.844 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.454 11.958 5.483 1.00 0.00 H new ATOM 0 HH TYR A 107 121.222 13.271 2.578 1.00 0.00 H new ATOM 1776 N PRO A 108 121.163 7.136 5.261 1.00 0.00 N ATOM 1777 CA PRO A 108 122.536 7.494 5.705 1.00 0.00 C ATOM 1778 C PRO A 108 123.545 6.519 5.087 1.00 0.00 C ATOM 1779 O PRO A 108 124.668 6.864 4.775 1.00 0.00 O ATOM 1780 CB PRO A 108 122.448 7.323 7.238 1.00 0.00 C ATOM 1781 CG PRO A 108 121.020 6.856 7.588 1.00 0.00 C ATOM 1782 CD PRO A 108 120.320 6.454 6.280 1.00 0.00 C ATOM 0 HA PRO A 108 122.862 8.492 5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.182 6.594 7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.674 8.264 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.053 6.013 8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.469 7.654 8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.304 5.373 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.285 6.795 6.249 1.00 0.00 H new ATOM 1790 N TYR A 109 123.123 5.298 4.911 1.00 0.00 N ATOM 1791 CA TYR A 109 124.004 4.262 4.314 1.00 0.00 C ATOM 1792 C TYR A 109 124.255 4.615 2.842 1.00 0.00 C ATOM 1793 O TYR A 109 125.366 4.551 2.356 1.00 0.00 O ATOM 1794 CB TYR A 109 123.289 2.910 4.426 1.00 0.00 C ATOM 1795 CG TYR A 109 124.280 1.777 4.304 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.253 1.596 5.294 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.218 0.899 3.216 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.163 0.538 5.195 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.129 -0.156 3.118 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.102 -0.338 4.107 1.00 0.00 C ATOM 1801 OH TYR A 109 126.999 -1.382 4.009 1.00 0.00 O ATOM 0 H TYR A 109 122.189 4.971 5.160 1.00 0.00 H new ATOM 0 HA TYR A 109 124.962 4.213 4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 109 122.769 2.845 5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.533 2.826 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.301 2.273 6.134 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.467 1.037 2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 109 126.913 0.398 5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.082 -0.832 2.277 1.00 0.00 H new ATOM 0 HH TYR A 109 126.817 -1.894 3.194 1.00 0.00 H new ATOM 1811 N GLU A 110 123.227 5.008 2.134 1.00 0.00 N ATOM 1812 CA GLU A 110 123.397 5.389 0.709 1.00 0.00 C ATOM 1813 C GLU A 110 124.486 6.456 0.614 1.00 0.00 C ATOM 1814 O GLU A 110 125.428 6.338 -0.145 1.00 0.00 O ATOM 1815 CB GLU A 110 122.065 5.963 0.200 1.00 0.00 C ATOM 1816 CG GLU A 110 122.238 6.566 -1.196 1.00 0.00 C ATOM 1817 CD GLU A 110 122.839 5.523 -2.131 1.00 0.00 C ATOM 1818 OE1 GLU A 110 124.044 5.338 -2.083 1.00 0.00 O ATOM 1819 OE2 GLU A 110 122.086 4.926 -2.881 1.00 0.00 O ATOM 0 H GLU A 110 122.273 5.080 2.489 1.00 0.00 H new ATOM 0 HA GLU A 110 123.681 4.525 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.311 5.177 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.704 6.726 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 110 121.275 6.902 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 110 122.885 7.442 -1.148 1.00 0.00 H new ATOM 1826 N CYS A 111 124.358 7.497 1.388 1.00 0.00 N ATOM 1827 CA CYS A 111 125.374 8.586 1.364 1.00 0.00 C ATOM 1828 C CYS A 111 126.689 8.089 1.982 1.00 0.00 C ATOM 1829 O CYS A 111 127.740 8.659 1.775 1.00 0.00 O ATOM 1830 CB CYS A 111 124.850 9.785 2.163 1.00 0.00 C ATOM 1831 SG CYS A 111 124.908 9.409 3.933 1.00 0.00 S ATOM 0 H CYS A 111 123.588 7.641 2.041 1.00 0.00 H new ATOM 0 HA CYS A 111 125.558 8.885 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 111 125.452 10.668 1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 111 123.828 10.015 1.863 1.00 0.00 H new ATOM 0 HG CYS A 111 124.985 8.122 4.101 1.00 0.00 H new ATOM 1837 N GLU A 112 126.644 7.042 2.754 1.00 0.00 N ATOM 1838 CA GLU A 112 127.899 6.545 3.391 1.00 0.00 C ATOM 1839 C GLU A 112 128.855 6.015 2.321 1.00 0.00 C ATOM 1840 O GLU A 112 129.996 6.425 2.234 1.00 0.00 O ATOM 1841 CB GLU A 112 127.557 5.409 4.360 1.00 0.00 C ATOM 1842 CG GLU A 112 128.796 5.027 5.176 1.00 0.00 C ATOM 1843 CD GLU A 112 129.157 6.171 6.125 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.315 7.028 6.335 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.267 6.166 6.632 1.00 0.00 O ATOM 0 H GLU A 112 125.801 6.510 2.972 1.00 0.00 H new ATOM 0 HA GLU A 112 128.376 7.365 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 112 126.753 5.719 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.195 4.543 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 112 128.604 4.117 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.632 4.816 4.509 1.00 0.00 H new ATOM 1852 N LYS A 113 128.408 5.088 1.523 1.00 0.00 N ATOM 1853 CA LYS A 113 129.294 4.507 0.477 1.00 0.00 C ATOM 1854 C LYS A 113 129.605 5.500 -0.655 1.00 0.00 C ATOM 1855 O LYS A 113 130.709 5.518 -1.163 1.00 0.00 O ATOM 1856 CB LYS A 113 128.631 3.258 -0.111 1.00 0.00 C ATOM 1857 CG LYS A 113 128.633 2.140 0.936 1.00 0.00 C ATOM 1858 CD LYS A 113 127.970 0.888 0.349 1.00 0.00 C ATOM 1859 CE LYS A 113 128.006 -0.261 1.372 1.00 0.00 C ATOM 1860 NZ LYS A 113 129.251 -1.055 1.174 1.00 0.00 N ATOM 0 H LYS A 113 127.463 4.706 1.550 1.00 0.00 H new ATOM 0 HA LYS A 113 130.240 4.254 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.609 3.484 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.166 2.935 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 113 129.655 1.914 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.098 2.463 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 113 126.938 1.108 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 113 128.485 0.589 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 113 127.972 0.138 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 113 127.131 -0.899 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 129.634 -1.336 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 129.035 -1.906 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 129.954 -0.478 0.669 1.00 0.00 H new ATOM 1874 N LYS A 114 128.645 6.289 -1.098 1.00 0.00 N ATOM 1875 CA LYS A 114 128.910 7.230 -2.250 1.00 0.00 C ATOM 1876 C LYS A 114 128.628 8.698 -1.891 1.00 0.00 C ATOM 1877 O LYS A 114 128.882 9.581 -2.687 1.00 0.00 O ATOM 1878 CB LYS A 114 128.001 6.837 -3.420 1.00 0.00 C ATOM 1879 CG LYS A 114 128.151 5.344 -3.744 1.00 0.00 C ATOM 1880 CD LYS A 114 129.524 5.066 -4.363 1.00 0.00 C ATOM 1881 CE LYS A 114 129.539 3.647 -4.933 1.00 0.00 C ATOM 1882 NZ LYS A 114 130.892 3.344 -5.478 1.00 0.00 N ATOM 0 H LYS A 114 127.699 6.324 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 114 129.966 7.146 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.963 7.058 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 114 128.252 7.432 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 114 128.029 4.754 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 114 127.365 5.034 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 114 129.735 5.790 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 114 130.305 5.177 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 114 129.279 2.929 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.789 3.551 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 130.902 2.379 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 131.122 4.022 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 131.597 3.419 -4.717 1.00 0.00 H new ATOM 1896 N ASN A 115 128.099 8.990 -0.736 1.00 0.00 N ATOM 1897 CA ASN A 115 127.813 10.424 -0.413 1.00 0.00 C ATOM 1898 C ASN A 115 127.002 11.039 -1.558 1.00 0.00 C ATOM 1899 O ASN A 115 127.324 12.096 -2.065 1.00 0.00 O ATOM 1900 CB ASN A 115 129.129 11.193 -0.260 1.00 0.00 C ATOM 1901 CG ASN A 115 128.846 12.566 0.351 1.00 0.00 C ATOM 1902 OD1 ASN A 115 128.763 13.553 -0.353 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.693 12.673 1.643 1.00 0.00 N ATOM 0 H ASN A 115 127.855 8.316 -0.011 1.00 0.00 H new ATOM 0 HA ASN A 115 127.251 10.482 0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.817 10.635 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.612 11.307 -1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 115 128.504 13.584 2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 115 128.762 11.845 2.235 1.00 0.00 H new ATOM 1910 N LEU A 116 125.961 10.374 -1.978 1.00 0.00 N ATOM 1911 CA LEU A 116 125.136 10.906 -3.101 1.00 0.00 C ATOM 1912 C LEU A 116 124.544 12.262 -2.728 1.00 0.00 C ATOM 1913 O LEU A 116 124.442 13.147 -3.554 1.00 0.00 O ATOM 1914 CB LEU A 116 123.965 9.960 -3.393 1.00 0.00 C ATOM 1915 CG LEU A 116 124.456 8.562 -3.777 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.248 7.730 -4.217 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.471 8.641 -4.929 1.00 0.00 C ATOM 0 H LEU A 116 125.645 9.484 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 116 125.783 10.998 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.323 9.893 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.359 10.369 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 116 124.947 8.102 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.578 6.729 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.534 7.662 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.771 8.206 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.808 7.637 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 116 125.000 9.100 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 116 126.326 9.242 -4.620 1.00 0.00 H new ATOM 1929 N SER A 117 124.101 12.425 -1.511 1.00 0.00 N ATOM 1930 CA SER A 117 123.463 13.719 -1.136 1.00 0.00 C ATOM 1931 C SER A 117 123.571 13.976 0.374 1.00 0.00 C ATOM 1932 O SER A 117 124.242 13.263 1.095 1.00 0.00 O ATOM 1933 CB SER A 117 121.992 13.639 -1.543 1.00 0.00 C ATOM 1934 OG SER A 117 121.867 13.978 -2.919 1.00 0.00 O ATOM 0 H SER A 117 124.152 11.728 -0.768 1.00 0.00 H new ATOM 0 HA SER A 117 123.969 14.540 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.608 12.634 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.396 14.319 -0.933 1.00 0.00 H new ATOM 0 HG SER A 117 121.439 14.856 -3.002 1.00 0.00 H new ATOM 1940 N THR A 118 122.903 15.003 0.846 1.00 0.00 N ATOM 1941 CA THR A 118 122.937 15.347 2.299 1.00 0.00 C ATOM 1942 C THR A 118 121.509 15.725 2.729 1.00 0.00 C ATOM 1943 O THR A 118 120.729 16.178 1.916 1.00 0.00 O ATOM 1944 CB THR A 118 123.868 16.552 2.489 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.580 17.526 1.495 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.324 16.102 2.353 1.00 0.00 C ATOM 0 H THR A 118 122.329 15.624 0.276 1.00 0.00 H new ATOM 0 HA THR A 118 123.297 14.509 2.895 1.00 0.00 H new ATOM 0 HB THR A 118 123.713 16.980 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.171 18.299 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.984 16.959 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.545 15.351 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.482 15.675 1.363 1.00 0.00 H new ATOM 1954 N PRO A 119 121.145 15.547 3.980 1.00 0.00 N ATOM 1955 CA PRO A 119 119.768 15.902 4.418 1.00 0.00 C ATOM 1956 C PRO A 119 119.376 17.319 3.973 1.00 0.00 C ATOM 1957 O PRO A 119 118.212 17.647 3.860 1.00 0.00 O ATOM 1958 CB PRO A 119 119.861 15.784 5.956 1.00 0.00 C ATOM 1959 CG PRO A 119 121.298 15.357 6.326 1.00 0.00 C ATOM 1960 CD PRO A 119 122.046 14.994 5.031 1.00 0.00 C ATOM 0 HA PRO A 119 118.999 15.262 3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.616 16.737 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.141 15.053 6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.812 16.165 6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.277 14.504 7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.038 15.444 4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.180 13.917 4.927 1.00 0.00 H new ATOM 1968 N ALA A 120 120.345 18.157 3.720 1.00 0.00 N ATOM 1969 CA ALA A 120 120.033 19.547 3.281 1.00 0.00 C ATOM 1970 C ALA A 120 119.423 19.524 1.880 1.00 0.00 C ATOM 1971 O ALA A 120 118.321 19.989 1.657 1.00 0.00 O ATOM 1972 CB ALA A 120 121.317 20.375 3.258 1.00 0.00 C ATOM 0 H ALA A 120 121.338 17.939 3.798 1.00 0.00 H new ATOM 0 HA ALA A 120 119.322 19.991 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 120 121.089 21.391 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.752 20.399 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 120 122.027 19.926 2.564 1.00 0.00 H new ATOM 1978 N GLU A 121 120.137 18.986 0.930 1.00 0.00 N ATOM 1979 CA GLU A 121 119.608 18.934 -0.458 1.00 0.00 C ATOM 1980 C GLU A 121 118.426 17.967 -0.510 1.00 0.00 C ATOM 1981 O GLU A 121 117.563 18.076 -1.358 1.00 0.00 O ATOM 1982 CB GLU A 121 120.716 18.477 -1.408 1.00 0.00 C ATOM 1983 CG GLU A 121 121.298 17.161 -0.916 1.00 0.00 C ATOM 1984 CD GLU A 121 122.436 16.731 -1.842 1.00 0.00 C ATOM 1985 OE1 GLU A 121 122.148 16.319 -2.953 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.580 16.830 -1.427 1.00 0.00 O ATOM 0 H GLU A 121 121.064 18.580 1.057 1.00 0.00 H new ATOM 0 HA GLU A 121 119.269 19.923 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.318 18.356 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.498 19.235 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.667 17.272 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.524 16.394 -0.893 1.00 0.00 H new ATOM 1993 N LEU A 122 118.364 17.033 0.401 1.00 0.00 N ATOM 1994 CA LEU A 122 117.214 16.088 0.403 1.00 0.00 C ATOM 1995 C LEU A 122 115.936 16.905 0.580 1.00 0.00 C ATOM 1996 O LEU A 122 114.949 16.694 -0.095 1.00 0.00 O ATOM 1997 CB LEU A 122 117.366 15.092 1.561 1.00 0.00 C ATOM 1998 CG LEU A 122 116.192 14.097 1.592 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.227 13.185 0.360 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.311 13.237 2.853 1.00 0.00 C ATOM 0 H LEU A 122 119.054 16.885 1.137 1.00 0.00 H new ATOM 0 HA LEU A 122 117.177 15.528 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.305 14.548 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.414 15.633 2.506 1.00 0.00 H new ATOM 0 HG LEU A 122 115.254 14.652 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.390 12.488 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 122 116.153 13.791 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 122 117.163 12.627 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.485 12.527 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.256 12.694 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.277 13.877 3.735 1.00 0.00 H new ATOM 2012 N GLN A 123 115.955 17.855 1.479 1.00 0.00 N ATOM 2013 CA GLN A 123 114.749 18.702 1.690 1.00 0.00 C ATOM 2014 C GLN A 123 114.429 19.413 0.379 1.00 0.00 C ATOM 2015 O GLN A 123 113.286 19.530 -0.016 1.00 0.00 O ATOM 2016 CB GLN A 123 115.035 19.744 2.777 1.00 0.00 C ATOM 2017 CG GLN A 123 115.147 19.058 4.141 1.00 0.00 C ATOM 2018 CD GLN A 123 113.783 18.503 4.552 1.00 0.00 C ATOM 2019 OE1 GLN A 123 113.645 17.321 4.799 1.00 0.00 O ATOM 2020 NE2 GLN A 123 112.762 19.311 4.642 1.00 0.00 N ATOM 0 H GLN A 123 116.753 18.079 2.074 1.00 0.00 H new ATOM 0 HA GLN A 123 113.907 18.084 2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.960 20.274 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 123 114.238 20.488 2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 123 115.879 18.252 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 123 115.502 19.768 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 123 112.877 20.303 4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 123 111.849 18.950 4.919 1.00 0.00 H new ATOM 2029 N ALA A 124 115.438 19.872 -0.310 1.00 0.00 N ATOM 2030 CA ALA A 124 115.199 20.555 -1.607 1.00 0.00 C ATOM 2031 C ALA A 124 114.562 19.549 -2.561 1.00 0.00 C ATOM 2032 O ALA A 124 113.744 19.888 -3.395 1.00 0.00 O ATOM 2033 CB ALA A 124 116.529 21.043 -2.185 1.00 0.00 C ATOM 0 H ALA A 124 116.416 19.802 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 124 114.542 21.413 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 124 116.350 21.544 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.994 21.741 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 124 117.192 20.192 -2.342 1.00 0.00 H new ATOM 2039 N ALA A 125 114.937 18.306 -2.436 1.00 0.00 N ATOM 2040 CA ALA A 125 114.368 17.253 -3.317 1.00 0.00 C ATOM 2041 C ALA A 125 112.886 17.059 -2.989 1.00 0.00 C ATOM 2042 O ALA A 125 112.069 16.865 -3.869 1.00 0.00 O ATOM 2043 CB ALA A 125 115.125 15.940 -3.089 1.00 0.00 C ATOM 0 H ALA A 125 115.619 17.974 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 125 114.468 17.553 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.711 15.165 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 125 116.180 16.082 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 125 115.024 15.638 -2.047 1.00 0.00 H new ATOM 2049 N ILE A 126 112.527 17.102 -1.732 1.00 0.00 N ATOM 2050 CA ILE A 126 111.094 16.908 -1.371 1.00 0.00 C ATOM 2051 C ILE A 126 110.297 18.131 -1.836 1.00 0.00 C ATOM 2052 O ILE A 126 109.211 18.011 -2.369 1.00 0.00 O ATOM 2053 CB ILE A 126 110.971 16.768 0.151 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.823 15.586 0.621 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.509 16.503 0.537 1.00 0.00 C ATOM 2056 CD1 ILE A 126 111.887 15.575 2.150 1.00 0.00 C ATOM 0 H ILE A 126 113.159 17.262 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 126 110.706 16.009 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 126 111.312 17.691 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.397 14.651 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.828 15.661 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.431 16.405 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 126 108.888 17.334 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.169 15.582 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.494 14.733 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.333 16.505 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 126 110.880 15.479 2.556 1.00 0.00 H new ATOM 2068 N ASP A 127 110.831 19.305 -1.638 1.00 0.00 N ATOM 2069 CA ASP A 127 110.113 20.539 -2.064 1.00 0.00 C ATOM 2070 C ASP A 127 110.040 20.587 -3.591 1.00 0.00 C ATOM 2071 O ASP A 127 109.044 20.983 -4.163 1.00 0.00 O ATOM 2072 CB ASP A 127 110.862 21.769 -1.548 1.00 0.00 C ATOM 2073 CG ASP A 127 109.956 22.998 -1.645 1.00 0.00 C ATOM 2074 OD1 ASP A 127 109.646 23.396 -2.756 1.00 0.00 O ATOM 2075 OD2 ASP A 127 109.587 23.520 -0.606 1.00 0.00 O ATOM 0 H ASP A 127 111.737 19.463 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 127 109.103 20.531 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 127 111.171 21.613 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 127 111.769 21.926 -2.131 1.00 0.00 H new ATOM 2080 N GLY A 128 111.090 20.189 -4.256 1.00 0.00 N ATOM 2081 CA GLY A 128 111.081 20.215 -5.744 1.00 0.00 C ATOM 2082 C GLY A 128 109.899 19.391 -6.252 1.00 0.00 C ATOM 2083 O GLY A 128 109.309 19.694 -7.270 1.00 0.00 O ATOM 0 H GLY A 128 111.953 19.847 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.005 21.242 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 128 112.016 19.811 -6.133 1.00 0.00 H new ATOM 2087 N ASN A 129 109.543 18.353 -5.545 1.00 0.00 N ATOM 2088 CA ASN A 129 108.393 17.513 -5.982 1.00 0.00 C ATOM 2089 C ASN A 129 107.132 18.380 -6.037 1.00 0.00 C ATOM 2090 O ASN A 129 106.321 18.257 -6.934 1.00 0.00 O ATOM 2091 CB ASN A 129 108.186 16.371 -4.983 1.00 0.00 C ATOM 2092 CG ASN A 129 107.279 15.308 -5.602 1.00 0.00 C ATOM 2093 OD1 ASN A 129 107.739 14.257 -6.003 1.00 0.00 O ATOM 2094 ND2 ASN A 129 105.998 15.539 -5.701 1.00 0.00 N ATOM 0 H ASN A 129 109.999 18.051 -4.684 1.00 0.00 H new ATOM 0 HA ASN A 129 108.595 17.096 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 129 109.146 15.932 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 129 107.741 16.754 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 129 105.384 14.838 -6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 129 105.611 16.421 -5.365 1.00 0.00 H new ATOM 2101 N ARG A 130 106.963 19.258 -5.085 1.00 0.00 N ATOM 2102 CA ARG A 130 105.757 20.136 -5.084 1.00 0.00 C ATOM 2103 C ARG A 130 105.610 20.794 -6.458 1.00 0.00 C ATOM 2104 O ARG A 130 104.911 21.775 -6.615 1.00 0.00 O ATOM 2105 CB ARG A 130 105.916 21.225 -4.015 1.00 0.00 C ATOM 2106 CG ARG A 130 105.993 20.597 -2.613 1.00 0.00 C ATOM 2107 CD ARG A 130 104.595 20.201 -2.114 1.00 0.00 C ATOM 2108 NE ARG A 130 103.664 21.359 -2.237 1.00 0.00 N ATOM 2109 CZ ARG A 130 102.388 21.197 -2.022 1.00 0.00 C ATOM 2110 NH1 ARG A 130 101.962 20.127 -1.408 1.00 0.00 N ATOM 2111 NH2 ARG A 130 101.538 22.104 -2.419 1.00 0.00 N ATOM 0 H ARG A 130 107.608 19.405 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 130 104.872 19.538 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 130 106.818 21.805 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 130 105.075 21.917 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 130 106.637 19.718 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 130 106.445 21.304 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 130 104.218 19.358 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 130 104.649 19.876 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 130 104.025 22.279 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 130 102.627 19.419 -1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 130 100.964 19.999 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 130 101.871 22.941 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 130 100.540 21.976 -2.250 1.00 0.00 H new TER 2125 ARG A 130