USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1053 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 115 GLN : amide:sc= -1.62 K(o=-4.2,f=-4.8!) USER MOD Set 1.2: A 117 TYR OH : rot 149:sc= -2.54! USER MOD Set 2.1: A 50 LYS NZ :NH3+ -156:sc= 0.108 (180deg=-0.806) USER MOD Set 2.2: A 52 SER OG : rot -36:sc= 0.563 USER MOD Set 3.1: A 45 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Set 3.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 33 HIS : no HD1:sc= -6.12! C(o=-12!,f=-8!) USER MOD Set 4.2: A 35 ASN : amide:sc= -6.31! C(o=-12!,f=-6.6!) USER MOD Set 5.1: A 14 TYR OH : rot 114:sc= -0.35 USER MOD Set 5.2: A 18 MET CE :methyl -172:sc= 0 (180deg=-0.0724) USER MOD Set 6.1: A 4 SER OG : rot 110:sc= 0.175! USER MOD Set 6.2: A 130 LYS NZ :NH3+ 177:sc= -0.233 (180deg=-0.766) USER MOD Single : A 1 ALA N :NH3+ 151:sc= 0.0323 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 125:sc= -0.138 (180deg=-0.7) USER MOD Single : A 11 SER OG : rot 71:sc= 0.545 USER MOD Single : A 13 ASN : amide:sc= 0.64 K(o=0.64,f=-1.7!) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -5.96! (180deg=-6.19!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 150:sc= -0.362 (180deg=-0.465) USER MOD Single : A 24 ASN : amide:sc= -3.3! C(o=-3.3!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.026 (180deg=-0.242) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= -0.314 (180deg=-1.36!) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -3.9 (180deg=-5.65!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.066) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 53 SER OG : rot -140:sc= -0.136 USER MOD Single : A 57 ASN : amide:sc= -4.59! K(o=-4.6!,f=-0.25) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 69 ASN : amide:sc= -1.33! C(o=-1.3!,f=-3.7!) USER MOD Single : A 71 ASN : amide:sc= -0.995 K(o=-0.99,f=-4.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 81 THR OG1 : rot -85:sc= -2.91! USER MOD Single : A 83 SER OG : rot -179:sc= -1.51! USER MOD Single : A 87 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.031) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.514) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -120:sc= -2.9 USER MOD Single : A 98 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.6!) USER MOD Single : A 100 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.2) USER MOD Single : A 103 ASN : amide:sc= -5.06! C(o=-5.1!,f=-1.8!) USER MOD Single : A 104 THR OG1 : rot 55:sc= -0.859! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= -2.85! USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 118.049 8.068 -7.694 1.00 0.00 N ATOM 2 CA ALA A 1 117.626 6.801 -7.032 1.00 0.00 C ATOM 3 C ALA A 1 116.242 6.398 -7.542 1.00 0.00 C ATOM 4 O ALA A 1 115.257 7.060 -7.284 1.00 0.00 O ATOM 5 CB ALA A 1 117.567 7.012 -5.518 1.00 0.00 C ATOM 0 H1 ALA A 1 118.683 8.596 -7.061 1.00 0.00 H new ATOM 0 H2 ALA A 1 118.549 7.847 -8.579 1.00 0.00 H new ATOM 0 H3 ALA A 1 117.211 8.646 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 1 118.344 6.014 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.258 6.086 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.552 7.301 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.849 7.799 -5.288 1.00 0.00 H new ATOM 13 N PHE A 2 116.160 5.315 -8.266 1.00 0.00 N ATOM 14 CA PHE A 2 114.840 4.869 -8.795 1.00 0.00 C ATOM 15 C PHE A 2 114.053 6.087 -9.282 1.00 0.00 C ATOM 16 O PHE A 2 112.842 6.130 -9.204 1.00 0.00 O ATOM 17 CB PHE A 2 114.058 4.161 -7.680 1.00 0.00 C ATOM 18 CG PHE A 2 113.434 2.889 -8.211 1.00 0.00 C ATOM 19 CD1 PHE A 2 114.234 1.902 -8.803 1.00 0.00 C ATOM 20 CD2 PHE A 2 112.053 2.699 -8.104 1.00 0.00 C ATOM 21 CE1 PHE A 2 113.646 0.724 -9.286 1.00 0.00 C ATOM 22 CE2 PHE A 2 111.468 1.522 -8.586 1.00 0.00 C ATOM 23 CZ PHE A 2 112.267 0.535 -9.176 1.00 0.00 C ATOM 0 H PHE A 2 116.950 4.720 -8.514 1.00 0.00 H new ATOM 0 HA PHE A 2 114.990 4.179 -9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 2 114.724 3.929 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.282 4.822 -7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 2 115.301 2.048 -8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 2 111.437 3.461 -7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 2 114.260 -0.038 -9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 2 110.401 1.375 -8.503 1.00 0.00 H new ATOM 0 HZ PHE A 2 111.816 -0.374 -9.546 1.00 0.00 H new ATOM 33 N ASP A 3 114.737 7.080 -9.779 1.00 0.00 N ATOM 34 CA ASP A 3 114.035 8.302 -10.268 1.00 0.00 C ATOM 35 C ASP A 3 113.325 7.996 -11.590 1.00 0.00 C ATOM 36 O ASP A 3 113.923 8.029 -12.647 1.00 0.00 O ATOM 37 CB ASP A 3 115.055 9.421 -10.486 1.00 0.00 C ATOM 38 CG ASP A 3 115.325 10.132 -9.158 1.00 0.00 C ATOM 39 OD1 ASP A 3 115.090 9.526 -8.126 1.00 0.00 O ATOM 40 OD2 ASP A 3 115.762 11.271 -9.197 1.00 0.00 O ATOM 0 H ASP A 3 115.753 7.099 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 3 113.299 8.616 -9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.982 9.010 -10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.679 10.132 -11.221 1.00 0.00 H new ATOM 45 N SER A 4 112.053 7.703 -11.537 1.00 0.00 N ATOM 46 CA SER A 4 111.298 7.400 -12.787 1.00 0.00 C ATOM 47 C SER A 4 110.044 6.595 -12.438 1.00 0.00 C ATOM 48 O SER A 4 109.697 6.442 -11.284 1.00 0.00 O ATOM 49 CB SER A 4 112.181 6.588 -13.738 1.00 0.00 C ATOM 50 OG SER A 4 111.371 5.691 -14.485 1.00 0.00 O ATOM 0 H SER A 4 111.503 7.660 -10.679 1.00 0.00 H new ATOM 0 HA SER A 4 111.010 8.332 -13.273 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.719 7.255 -14.411 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.930 6.034 -13.172 1.00 0.00 H new ATOM 0 HG SER A 4 111.336 5.983 -15.420 1.00 0.00 H new ATOM 56 N THR A 5 109.362 6.076 -13.424 1.00 0.00 N ATOM 57 CA THR A 5 108.135 5.282 -13.140 1.00 0.00 C ATOM 58 C THR A 5 108.526 3.830 -12.867 1.00 0.00 C ATOM 59 O THR A 5 109.511 3.336 -13.379 1.00 0.00 O ATOM 60 CB THR A 5 107.197 5.341 -14.349 1.00 0.00 C ATOM 61 OG1 THR A 5 106.825 6.692 -14.592 1.00 0.00 O ATOM 62 CG2 THR A 5 105.946 4.508 -14.068 1.00 0.00 C ATOM 0 H THR A 5 109.602 6.168 -14.411 1.00 0.00 H new ATOM 0 HA THR A 5 107.627 5.693 -12.268 1.00 0.00 H new ATOM 0 HB THR A 5 107.707 4.941 -15.225 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.226 6.732 -15.367 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.279 4.551 -14.929 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.232 3.473 -13.882 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.433 4.906 -13.192 1.00 0.00 H new ATOM 70 N TRP A 6 107.769 3.140 -12.059 1.00 0.00 N ATOM 71 CA TRP A 6 108.111 1.724 -11.753 1.00 0.00 C ATOM 72 C TRP A 6 106.837 0.941 -11.429 1.00 0.00 C ATOM 73 O TRP A 6 105.780 1.508 -11.236 1.00 0.00 O ATOM 74 CB TRP A 6 109.052 1.681 -10.552 1.00 0.00 C ATOM 75 CG TRP A 6 110.115 2.721 -10.708 1.00 0.00 C ATOM 76 CD1 TRP A 6 109.969 4.035 -10.421 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.483 2.554 -11.176 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.163 4.684 -10.682 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.127 3.812 -11.151 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.218 1.442 -11.615 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.459 3.957 -11.547 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.555 1.581 -12.012 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.176 2.836 -11.978 1.00 0.00 C ATOM 0 H TRP A 6 106.931 3.495 -11.599 1.00 0.00 H new ATOM 0 HA TRP A 6 108.598 1.275 -12.619 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.492 1.854 -9.633 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.505 0.693 -10.468 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.068 4.501 -10.049 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.313 5.684 -10.545 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.749 0.470 -11.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 113.932 4.928 -11.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.109 0.716 -12.346 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.207 2.938 -12.284 1.00 0.00 H new ATOM 94 N LYS A 7 106.927 -0.362 -11.370 1.00 0.00 N ATOM 95 CA LYS A 7 105.723 -1.177 -11.059 1.00 0.00 C ATOM 96 C LYS A 7 106.150 -2.494 -10.415 1.00 0.00 C ATOM 97 O LYS A 7 106.953 -3.225 -10.958 1.00 0.00 O ATOM 98 CB LYS A 7 104.955 -1.466 -12.352 1.00 0.00 C ATOM 99 CG LYS A 7 105.665 -2.572 -13.137 1.00 0.00 C ATOM 100 CD LYS A 7 105.140 -2.593 -14.573 1.00 0.00 C ATOM 101 CE LYS A 7 105.591 -3.884 -15.262 1.00 0.00 C ATOM 102 NZ LYS A 7 104.905 -5.047 -14.632 1.00 0.00 N ATOM 0 H LYS A 7 107.784 -0.894 -11.524 1.00 0.00 H new ATOM 0 HA LYS A 7 105.081 -0.628 -10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.934 -1.769 -12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.889 -0.562 -12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.742 -2.401 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.494 -3.538 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.052 -2.528 -14.575 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.512 -1.727 -15.120 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.357 -3.842 -16.326 1.00 0.00 H new ATOM 0 HE3 LYS A 7 106.672 -3.996 -15.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 104.409 -5.596 -15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.608 -5.652 -14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.218 -4.706 -13.930 1.00 0.00 H new ATOM 116 N VAL A 8 105.621 -2.806 -9.262 1.00 0.00 N ATOM 117 CA VAL A 8 106.001 -4.079 -8.596 1.00 0.00 C ATOM 118 C VAL A 8 106.180 -5.172 -9.646 1.00 0.00 C ATOM 119 O VAL A 8 105.229 -5.675 -10.210 1.00 0.00 O ATOM 120 CB VAL A 8 104.911 -4.479 -7.595 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.554 -3.978 -8.091 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.874 -6.004 -7.452 1.00 0.00 C ATOM 0 H VAL A 8 104.944 -2.234 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 8 106.941 -3.946 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 8 105.131 -4.033 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.779 -4.262 -7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.579 -2.892 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.335 -4.422 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.098 -6.284 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.657 -6.455 -8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 8 105.840 -6.359 -7.094 1.00 0.00 H new ATOM 132 N ASP A 9 107.401 -5.546 -9.904 1.00 0.00 N ATOM 133 CA ASP A 9 107.659 -6.612 -10.905 1.00 0.00 C ATOM 134 C ASP A 9 107.904 -7.920 -10.163 1.00 0.00 C ATOM 135 O ASP A 9 107.630 -8.993 -10.664 1.00 0.00 O ATOM 136 CB ASP A 9 108.893 -6.249 -11.735 1.00 0.00 C ATOM 137 CG ASP A 9 108.471 -5.391 -12.930 1.00 0.00 C ATOM 138 OD1 ASP A 9 108.339 -4.191 -12.756 1.00 0.00 O ATOM 139 OD2 ASP A 9 108.285 -5.949 -13.999 1.00 0.00 O ATOM 0 H ASP A 9 108.234 -5.157 -9.462 1.00 0.00 H new ATOM 0 HA ASP A 9 106.804 -6.716 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.611 -5.707 -11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.390 -7.155 -12.082 1.00 0.00 H new ATOM 144 N ARG A 10 108.419 -7.843 -8.964 1.00 0.00 N ATOM 145 CA ARG A 10 108.674 -9.089 -8.191 1.00 0.00 C ATOM 146 C ARG A 10 108.361 -8.864 -6.708 1.00 0.00 C ATOM 147 O ARG A 10 108.056 -7.769 -6.286 1.00 0.00 O ATOM 148 CB ARG A 10 110.137 -9.502 -8.357 1.00 0.00 C ATOM 149 CG ARG A 10 110.286 -10.332 -9.627 1.00 0.00 C ATOM 150 CD ARG A 10 111.692 -10.931 -9.687 1.00 0.00 C ATOM 151 NE ARG A 10 112.013 -11.306 -11.093 1.00 0.00 N ATOM 152 CZ ARG A 10 112.966 -12.163 -11.338 1.00 0.00 C ATOM 153 NH1 ARG A 10 113.248 -12.492 -12.569 1.00 0.00 N ATOM 154 NH2 ARG A 10 113.638 -12.690 -10.351 1.00 0.00 N ATOM 0 H ARG A 10 108.672 -6.976 -8.491 1.00 0.00 H new ATOM 0 HA ARG A 10 108.029 -9.882 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.772 -8.618 -8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.464 -10.078 -7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.540 -11.127 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.108 -9.709 -10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.422 -10.211 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.753 -11.808 -9.043 1.00 0.00 H new ATOM 0 HE ARG A 10 111.488 -10.893 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.723 -12.079 -13.340 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.993 -13.162 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 10 113.418 -12.432 -9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.383 -13.360 -10.542 1.00 0.00 H new ATOM 168 N SER A 11 108.429 -9.905 -5.921 1.00 0.00 N ATOM 169 CA SER A 11 108.132 -9.773 -4.465 1.00 0.00 C ATOM 170 C SER A 11 108.329 -11.134 -3.792 1.00 0.00 C ATOM 171 O SER A 11 108.647 -12.113 -4.438 1.00 0.00 O ATOM 172 CB SER A 11 106.686 -9.314 -4.278 1.00 0.00 C ATOM 173 OG SER A 11 106.302 -9.511 -2.924 1.00 0.00 O ATOM 0 H SER A 11 108.679 -10.846 -6.226 1.00 0.00 H new ATOM 0 HA SER A 11 108.802 -9.039 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.589 -8.262 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.026 -9.874 -4.940 1.00 0.00 H new ATOM 0 HG SER A 11 106.763 -8.860 -2.355 1.00 0.00 H new ATOM 179 N GLU A 12 108.147 -11.213 -2.500 1.00 0.00 N ATOM 180 CA GLU A 12 108.331 -12.521 -1.809 1.00 0.00 C ATOM 181 C GLU A 12 107.549 -12.527 -0.491 1.00 0.00 C ATOM 182 O GLU A 12 107.273 -11.494 0.086 1.00 0.00 O ATOM 183 CB GLU A 12 109.831 -12.748 -1.546 1.00 0.00 C ATOM 184 CG GLU A 12 110.102 -12.884 -0.042 1.00 0.00 C ATOM 185 CD GLU A 12 111.599 -13.102 0.187 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.139 -14.025 -0.398 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.178 -12.341 0.945 1.00 0.00 O ATOM 0 H GLU A 12 107.881 -10.434 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 12 107.953 -13.327 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.164 -13.647 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.407 -11.916 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.770 -11.987 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.535 -13.720 0.367 1.00 0.00 H new ATOM 194 N ASN A 13 107.196 -13.693 -0.015 1.00 0.00 N ATOM 195 CA ASN A 13 106.436 -13.789 1.265 1.00 0.00 C ATOM 196 C ASN A 13 105.145 -12.974 1.165 1.00 0.00 C ATOM 197 O ASN A 13 104.227 -13.330 0.454 1.00 0.00 O ATOM 198 CB ASN A 13 107.295 -13.250 2.411 1.00 0.00 C ATOM 199 CG ASN A 13 108.256 -14.341 2.887 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.419 -15.351 2.231 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.903 -14.181 4.008 1.00 0.00 N ATOM 0 H ASN A 13 107.403 -14.587 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 13 106.186 -14.833 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.856 -12.376 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.659 -12.926 3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.545 -14.903 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.767 -13.334 4.559 1.00 0.00 H new ATOM 208 N TYR A 14 105.070 -11.883 1.875 1.00 0.00 N ATOM 209 CA TYR A 14 103.841 -11.041 1.828 1.00 0.00 C ATOM 210 C TYR A 14 102.721 -11.714 2.617 1.00 0.00 C ATOM 211 O TYR A 14 102.121 -11.113 3.485 1.00 0.00 O ATOM 212 CB TYR A 14 103.411 -10.842 0.370 1.00 0.00 C ATOM 213 CG TYR A 14 102.947 -9.418 0.163 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.712 -8.350 0.651 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.752 -9.166 -0.520 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.280 -7.033 0.457 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.320 -7.849 -0.716 1.00 0.00 C ATOM 218 CZ TYR A 14 102.084 -6.782 -0.227 1.00 0.00 C ATOM 219 OH TYR A 14 101.658 -5.483 -0.419 1.00 0.00 O ATOM 0 H TYR A 14 105.809 -11.537 2.488 1.00 0.00 H new ATOM 0 HA TYR A 14 104.051 -10.069 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.243 -11.064 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.608 -11.536 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.635 -8.543 1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.162 -9.989 -0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.869 -6.210 0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.398 -7.656 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 14 101.671 -5.273 -1.376 1.00 0.00 H new ATOM 229 N ASP A 15 102.429 -12.950 2.337 1.00 0.00 N ATOM 230 CA ASP A 15 101.346 -13.626 3.097 1.00 0.00 C ATOM 231 C ASP A 15 101.687 -13.575 4.581 1.00 0.00 C ATOM 232 O ASP A 15 100.878 -13.187 5.402 1.00 0.00 O ATOM 233 CB ASP A 15 101.216 -15.081 2.640 1.00 0.00 C ATOM 234 CG ASP A 15 100.819 -15.118 1.163 1.00 0.00 C ATOM 235 OD1 ASP A 15 100.480 -16.189 0.688 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.860 -14.075 0.532 1.00 0.00 O ATOM 0 H ASP A 15 102.887 -13.516 1.623 1.00 0.00 H new ATOM 0 HA ASP A 15 100.397 -13.121 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 15 102.160 -15.605 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.468 -15.597 3.242 1.00 0.00 H new ATOM 241 N LYS A 16 102.885 -13.941 4.932 1.00 0.00 N ATOM 242 CA LYS A 16 103.280 -13.887 6.364 1.00 0.00 C ATOM 243 C LYS A 16 103.170 -12.438 6.827 1.00 0.00 C ATOM 244 O LYS A 16 102.806 -12.155 7.951 1.00 0.00 O ATOM 245 CB LYS A 16 104.722 -14.376 6.524 1.00 0.00 C ATOM 246 CG LYS A 16 104.865 -15.778 5.913 1.00 0.00 C ATOM 247 CD LYS A 16 105.168 -16.798 7.014 1.00 0.00 C ATOM 248 CE LYS A 16 106.636 -16.682 7.431 1.00 0.00 C ATOM 249 NZ LYS A 16 107.110 -15.288 7.201 1.00 0.00 N ATOM 0 H LYS A 16 103.606 -14.274 4.292 1.00 0.00 H new ATOM 0 HA LYS A 16 102.630 -14.526 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.407 -13.684 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.993 -14.400 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 16 103.947 -16.053 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.664 -15.781 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 16 104.520 -16.624 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 104.959 -17.807 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 16 106.748 -16.947 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 16 107.244 -17.383 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 108.038 -15.158 7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 107.194 -15.114 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 106.429 -14.618 7.612 1.00 0.00 H new ATOM 263 N PHE A 17 103.470 -11.516 5.954 1.00 0.00 N ATOM 264 CA PHE A 17 103.374 -10.082 6.315 1.00 0.00 C ATOM 265 C PHE A 17 101.908 -9.715 6.488 1.00 0.00 C ATOM 266 O PHE A 17 101.453 -9.365 7.561 1.00 0.00 O ATOM 267 CB PHE A 17 103.959 -9.269 5.172 1.00 0.00 C ATOM 268 CG PHE A 17 104.088 -7.828 5.578 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.124 -7.448 6.424 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.181 -6.875 5.102 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.264 -6.110 6.804 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.314 -5.535 5.481 1.00 0.00 C ATOM 273 CZ PHE A 17 104.357 -5.151 6.333 1.00 0.00 C ATOM 0 H PHE A 17 103.779 -11.701 5.000 1.00 0.00 H new ATOM 0 HA PHE A 17 103.913 -9.881 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 17 104.936 -9.666 4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.321 -9.352 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.822 -8.188 6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.379 -7.173 4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 17 106.070 -5.816 7.460 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.614 -4.798 5.117 1.00 0.00 H new ATOM 0 HZ PHE A 17 104.462 -4.117 6.627 1.00 0.00 H new ATOM 283 N MET A 18 101.167 -9.804 5.426 1.00 0.00 N ATOM 284 CA MET A 18 99.718 -9.472 5.497 1.00 0.00 C ATOM 285 C MET A 18 99.055 -10.339 6.569 1.00 0.00 C ATOM 286 O MET A 18 98.006 -10.010 7.083 1.00 0.00 O ATOM 287 CB MET A 18 99.064 -9.741 4.141 1.00 0.00 C ATOM 288 CG MET A 18 99.532 -8.691 3.131 1.00 0.00 C ATOM 289 SD MET A 18 98.715 -7.114 3.478 1.00 0.00 S ATOM 290 CE MET A 18 99.888 -6.053 2.600 1.00 0.00 C ATOM 0 H MET A 18 101.501 -10.093 4.507 1.00 0.00 H new ATOM 0 HA MET A 18 99.595 -8.419 5.752 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.326 -10.740 3.791 1.00 0.00 H new ATOM 0 HB3 MET A 18 97.979 -9.711 4.236 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.614 -8.573 3.188 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.300 -9.017 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.655 -5.008 2.802 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.901 -6.271 2.939 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.816 -6.240 1.529 1.00 0.00 H new ATOM 300 N GLU A 19 99.659 -11.444 6.913 1.00 0.00 N ATOM 301 CA GLU A 19 99.059 -12.321 7.956 1.00 0.00 C ATOM 302 C GLU A 19 99.353 -11.735 9.335 1.00 0.00 C ATOM 303 O GLU A 19 98.546 -11.815 10.240 1.00 0.00 O ATOM 304 CB GLU A 19 99.662 -13.725 7.855 1.00 0.00 C ATOM 305 CG GLU A 19 99.094 -14.605 8.969 1.00 0.00 C ATOM 306 CD GLU A 19 99.629 -16.031 8.814 1.00 0.00 C ATOM 307 OE1 GLU A 19 100.375 -16.459 9.679 1.00 0.00 O ATOM 308 OE2 GLU A 19 99.283 -16.669 7.835 1.00 0.00 O ATOM 0 H GLU A 19 100.539 -11.776 6.518 1.00 0.00 H new ATOM 0 HA GLU A 19 97.981 -12.382 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.436 -14.160 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.748 -13.673 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.374 -14.204 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.005 -14.607 8.926 1.00 0.00 H new ATOM 315 N LYS A 20 100.501 -11.140 9.501 1.00 0.00 N ATOM 316 CA LYS A 20 100.843 -10.542 10.820 1.00 0.00 C ATOM 317 C LYS A 20 99.919 -9.357 11.087 1.00 0.00 C ATOM 318 O LYS A 20 99.394 -9.198 12.172 1.00 0.00 O ATOM 319 CB LYS A 20 102.297 -10.069 10.805 1.00 0.00 C ATOM 320 CG LYS A 20 103.228 -11.284 10.813 1.00 0.00 C ATOM 321 CD LYS A 20 103.463 -11.738 12.256 1.00 0.00 C ATOM 322 CE LYS A 20 104.458 -12.902 12.276 1.00 0.00 C ATOM 323 NZ LYS A 20 105.400 -12.729 13.418 1.00 0.00 N ATOM 0 H LYS A 20 101.216 -11.042 8.781 1.00 0.00 H new ATOM 0 HA LYS A 20 100.717 -11.287 11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.484 -9.460 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.495 -9.440 11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.789 -12.095 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.177 -11.031 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.847 -10.909 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.520 -12.045 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 20 103.925 -13.848 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.010 -12.939 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.076 -13.519 13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 105.916 -11.833 13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 104.865 -12.714 14.310 1.00 0.00 H new ATOM 337 N MET A 21 99.710 -8.527 10.105 1.00 0.00 N ATOM 338 CA MET A 21 98.811 -7.357 10.304 1.00 0.00 C ATOM 339 C MET A 21 97.398 -7.860 10.611 1.00 0.00 C ATOM 340 O MET A 21 96.523 -7.100 10.974 1.00 0.00 O ATOM 341 CB MET A 21 98.792 -6.500 9.031 1.00 0.00 C ATOM 342 CG MET A 21 99.438 -5.141 9.311 1.00 0.00 C ATOM 343 SD MET A 21 99.145 -4.034 7.908 1.00 0.00 S ATOM 344 CE MET A 21 100.737 -4.288 7.084 1.00 0.00 C ATOM 0 H MET A 21 100.121 -8.607 9.175 1.00 0.00 H new ATOM 0 HA MET A 21 99.172 -6.751 11.135 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.328 -7.010 8.230 1.00 0.00 H new ATOM 0 HB3 MET A 21 97.766 -6.362 8.690 1.00 0.00 H new ATOM 0 HG2 MET A 21 99.023 -4.709 10.222 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.509 -5.262 9.475 1.00 0.00 H new ATOM 0 HE1 MET A 21 100.613 -4.166 6.008 1.00 0.00 H new ATOM 0 HE2 MET A 21 101.458 -3.557 7.452 1.00 0.00 H new ATOM 0 HE3 MET A 21 101.100 -5.294 7.296 1.00 0.00 H new ATOM 354 N GLY A 22 97.168 -9.138 10.468 1.00 0.00 N ATOM 355 CA GLY A 22 95.812 -9.687 10.751 1.00 0.00 C ATOM 356 C GLY A 22 94.895 -9.417 9.557 1.00 0.00 C ATOM 357 O GLY A 22 93.707 -9.215 9.706 1.00 0.00 O ATOM 0 H GLY A 22 97.860 -9.824 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 22 95.874 -10.759 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.402 -9.227 11.650 1.00 0.00 H new ATOM 361 N VAL A 23 95.442 -9.409 8.372 1.00 0.00 N ATOM 362 CA VAL A 23 94.607 -9.150 7.166 1.00 0.00 C ATOM 363 C VAL A 23 93.796 -10.402 6.826 1.00 0.00 C ATOM 364 O VAL A 23 94.314 -11.501 6.800 1.00 0.00 O ATOM 365 CB VAL A 23 95.516 -8.794 5.988 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.667 -8.278 4.826 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.506 -7.707 6.416 1.00 0.00 C ATOM 0 H VAL A 23 96.432 -9.571 8.187 1.00 0.00 H new ATOM 0 HA VAL A 23 93.926 -8.322 7.365 1.00 0.00 H new ATOM 0 HB VAL A 23 96.064 -9.682 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.315 -8.024 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.962 -9.051 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.118 -7.391 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.153 -7.454 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 23 95.958 -6.820 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.113 -8.073 7.244 1.00 0.00 H new ATOM 377 N ASN A 24 92.526 -10.245 6.564 1.00 0.00 N ATOM 378 CA ASN A 24 91.684 -11.427 6.223 1.00 0.00 C ATOM 379 C ASN A 24 92.410 -12.287 5.186 1.00 0.00 C ATOM 380 O ASN A 24 93.463 -11.929 4.698 1.00 0.00 O ATOM 381 CB ASN A 24 90.348 -10.953 5.647 1.00 0.00 C ATOM 382 CG ASN A 24 89.347 -12.108 5.659 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.256 -12.858 4.706 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.587 -12.287 6.704 1.00 0.00 N ATOM 0 H ASN A 24 92.036 -9.350 6.571 1.00 0.00 H new ATOM 0 HA ASN A 24 91.503 -12.016 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 24 89.963 -10.119 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 24 90.488 -10.590 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 24 87.917 -13.056 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 24 88.663 -11.658 7.504 1.00 0.00 H new ATOM 391 N ILE A 25 91.858 -13.421 4.847 1.00 0.00 N ATOM 392 CA ILE A 25 92.524 -14.297 3.844 1.00 0.00 C ATOM 393 C ILE A 25 92.124 -13.852 2.444 1.00 0.00 C ATOM 394 O ILE A 25 92.575 -14.378 1.445 1.00 0.00 O ATOM 395 CB ILE A 25 92.103 -15.751 4.078 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.027 -16.389 5.123 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.186 -16.538 2.767 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.327 -16.851 4.459 1.00 0.00 C ATOM 0 H ILE A 25 90.978 -13.777 5.220 1.00 0.00 H new ATOM 0 HA ILE A 25 93.607 -14.222 3.946 1.00 0.00 H new ATOM 0 HB ILE A 25 91.075 -15.772 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.247 -15.671 5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.528 -17.236 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.885 -17.571 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.522 -16.087 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.210 -16.517 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.977 -17.303 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.100 -17.585 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.831 -15.995 4.010 1.00 0.00 H new ATOM 410 N VAL A 26 91.288 -12.876 2.380 1.00 0.00 N ATOM 411 CA VAL A 26 90.837 -12.354 1.062 1.00 0.00 C ATOM 412 C VAL A 26 91.899 -11.408 0.511 1.00 0.00 C ATOM 413 O VAL A 26 92.461 -11.632 -0.543 1.00 0.00 O ATOM 414 CB VAL A 26 89.515 -11.603 1.230 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.059 -11.062 -0.126 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.453 -12.559 1.779 1.00 0.00 C ATOM 0 H VAL A 26 90.886 -12.404 3.190 1.00 0.00 H new ATOM 0 HA VAL A 26 90.690 -13.183 0.370 1.00 0.00 H new ATOM 0 HB VAL A 26 89.654 -10.774 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.117 -10.527 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.815 -10.382 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.920 -11.891 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.510 -12.025 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.315 -13.387 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.777 -12.946 2.745 1.00 0.00 H new ATOM 426 N LYS A 27 92.191 -10.360 1.224 1.00 0.00 N ATOM 427 CA LYS A 27 93.232 -9.409 0.752 1.00 0.00 C ATOM 428 C LYS A 27 94.582 -10.124 0.770 1.00 0.00 C ATOM 429 O LYS A 27 95.504 -9.754 0.072 1.00 0.00 O ATOM 430 CB LYS A 27 93.278 -8.193 1.682 1.00 0.00 C ATOM 431 CG LYS A 27 92.340 -7.107 1.153 1.00 0.00 C ATOM 432 CD LYS A 27 90.901 -7.625 1.168 1.00 0.00 C ATOM 433 CE LYS A 27 89.932 -6.447 1.049 1.00 0.00 C ATOM 434 NZ LYS A 27 89.872 -5.721 2.349 1.00 0.00 N ATOM 0 H LYS A 27 91.754 -10.120 2.114 1.00 0.00 H new ATOM 0 HA LYS A 27 93.002 -9.071 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.983 -8.483 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 94.296 -7.809 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.421 -6.210 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 27 92.626 -6.826 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.746 -8.322 0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.711 -8.174 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.258 -5.772 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.940 -6.805 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.992 -5.169 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.895 -6.406 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 90.687 -5.080 2.427 1.00 0.00 H new ATOM 448 N ARG A 28 94.697 -11.155 1.563 1.00 0.00 N ATOM 449 CA ARG A 28 95.978 -11.909 1.632 1.00 0.00 C ATOM 450 C ARG A 28 96.138 -12.750 0.365 1.00 0.00 C ATOM 451 O ARG A 28 97.207 -12.829 -0.207 1.00 0.00 O ATOM 452 CB ARG A 28 95.962 -12.829 2.855 1.00 0.00 C ATOM 453 CG ARG A 28 97.394 -13.239 3.208 1.00 0.00 C ATOM 454 CD ARG A 28 97.367 -14.519 4.043 1.00 0.00 C ATOM 455 NE ARG A 28 96.503 -14.314 5.239 1.00 0.00 N ATOM 456 CZ ARG A 28 96.646 -15.077 6.288 1.00 0.00 C ATOM 457 NH1 ARG A 28 95.889 -14.896 7.335 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.545 -16.022 6.289 1.00 0.00 N ATOM 0 H ARG A 28 93.955 -11.507 2.168 1.00 0.00 H new ATOM 0 HA ARG A 28 96.810 -11.210 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.500 -12.319 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.360 -13.714 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.973 -13.398 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.886 -12.440 3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 28 96.988 -15.348 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 28 98.378 -14.785 4.353 1.00 0.00 H new ATOM 0 HE ARG A 28 95.799 -13.576 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 28 95.185 -14.158 7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 28 96.001 -15.493 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.136 -16.164 5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 28 97.657 -16.618 7.109 1.00 0.00 H new ATOM 472 N LYS A 29 95.083 -13.382 -0.078 1.00 0.00 N ATOM 473 CA LYS A 29 95.180 -14.216 -1.308 1.00 0.00 C ATOM 474 C LYS A 29 95.293 -13.308 -2.534 1.00 0.00 C ATOM 475 O LYS A 29 95.957 -13.631 -3.500 1.00 0.00 O ATOM 476 CB LYS A 29 93.931 -15.090 -1.433 1.00 0.00 C ATOM 477 CG LYS A 29 94.011 -15.918 -2.717 1.00 0.00 C ATOM 478 CD LYS A 29 92.817 -16.871 -2.786 1.00 0.00 C ATOM 479 CE LYS A 29 93.012 -17.850 -3.945 1.00 0.00 C ATOM 480 NZ LYS A 29 94.340 -18.514 -3.817 1.00 0.00 N ATOM 0 H LYS A 29 94.162 -13.356 0.359 1.00 0.00 H new ATOM 0 HA LYS A 29 96.063 -14.852 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.847 -15.748 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 29 93.038 -14.466 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.016 -15.261 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 29 94.943 -16.483 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.719 -17.417 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 29 91.895 -16.306 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.218 -18.597 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.948 -17.321 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 94.266 -19.501 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 95.037 -18.012 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.645 -18.492 -2.823 1.00 0.00 H new ATOM 494 N LEU A 30 94.647 -12.177 -2.505 1.00 0.00 N ATOM 495 CA LEU A 30 94.712 -11.249 -3.669 1.00 0.00 C ATOM 496 C LEU A 30 95.932 -10.351 -3.537 1.00 0.00 C ATOM 497 O LEU A 30 96.334 -9.672 -4.461 1.00 0.00 O ATOM 498 CB LEU A 30 93.442 -10.399 -3.732 1.00 0.00 C ATOM 499 CG LEU A 30 92.230 -11.307 -3.950 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.976 -10.629 -3.394 1.00 0.00 C ATOM 501 CD2 LEU A 30 92.046 -11.562 -5.448 1.00 0.00 C ATOM 0 H LEU A 30 94.075 -11.854 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 30 94.792 -11.831 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 30 93.324 -9.833 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 30 93.517 -9.674 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 30 92.391 -12.254 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 30 90.113 -11.276 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 30 91.104 -10.445 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.816 -9.681 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 30 91.183 -12.209 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.886 -10.614 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 92.938 -12.045 -5.847 1.00 0.00 H new ATOM 513 N ALA A 31 96.510 -10.352 -2.389 1.00 0.00 N ATOM 514 CA ALA A 31 97.713 -9.506 -2.143 1.00 0.00 C ATOM 515 C ALA A 31 98.920 -10.107 -2.869 1.00 0.00 C ATOM 516 O ALA A 31 99.599 -9.437 -3.621 1.00 0.00 O ATOM 517 CB ALA A 31 97.997 -9.448 -0.641 1.00 0.00 C ATOM 0 H ALA A 31 96.205 -10.907 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 31 97.530 -8.499 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.876 -8.830 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 31 97.139 -9.018 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 31 98.179 -10.455 -0.266 1.00 0.00 H new ATOM 523 N ALA A 32 99.196 -11.363 -2.646 1.00 0.00 N ATOM 524 CA ALA A 32 100.361 -12.001 -3.322 1.00 0.00 C ATOM 525 C ALA A 32 100.416 -11.550 -4.783 1.00 0.00 C ATOM 526 O ALA A 32 101.447 -11.609 -5.422 1.00 0.00 O ATOM 527 CB ALA A 32 100.215 -13.523 -3.263 1.00 0.00 C ATOM 0 H ALA A 32 98.666 -11.974 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 32 101.280 -11.704 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 32 101.067 -13.990 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.178 -13.845 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.295 -13.820 -3.767 1.00 0.00 H new ATOM 533 N HIS A 33 99.313 -11.099 -5.317 1.00 0.00 N ATOM 534 CA HIS A 33 99.304 -10.645 -6.735 1.00 0.00 C ATOM 535 C HIS A 33 99.603 -9.144 -6.791 1.00 0.00 C ATOM 536 O HIS A 33 98.938 -8.395 -7.478 1.00 0.00 O ATOM 537 CB HIS A 33 97.928 -10.915 -7.349 1.00 0.00 C ATOM 538 CG HIS A 33 98.062 -11.063 -8.840 1.00 0.00 C ATOM 539 ND1 HIS A 33 99.277 -10.910 -9.493 1.00 0.00 N ATOM 540 CD2 HIS A 33 97.143 -11.351 -9.819 1.00 0.00 C ATOM 541 CE1 HIS A 33 99.059 -11.104 -10.807 1.00 0.00 C ATOM 542 NE2 HIS A 33 97.777 -11.375 -11.056 1.00 0.00 N ATOM 0 H HIS A 33 98.419 -11.026 -4.832 1.00 0.00 H new ATOM 0 HA HIS A 33 100.064 -11.189 -7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 33 97.499 -11.821 -6.920 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.247 -10.097 -7.114 1.00 0.00 H new ATOM 0 HD2 HIS A 33 96.091 -11.531 -9.654 1.00 0.00 H new ATOM 0 HE1 HIS A 33 99.826 -11.047 -11.565 1.00 0.00 H new ATOM 0 HE2 HIS A 33 97.351 -11.561 -11.964 1.00 0.00 H new ATOM 550 N ASP A 34 100.597 -8.701 -6.070 1.00 0.00 N ATOM 551 CA ASP A 34 100.934 -7.250 -6.079 1.00 0.00 C ATOM 552 C ASP A 34 101.348 -6.826 -7.489 1.00 0.00 C ATOM 553 O ASP A 34 102.290 -7.343 -8.054 1.00 0.00 O ATOM 554 CB ASP A 34 102.088 -6.987 -5.110 1.00 0.00 C ATOM 555 CG ASP A 34 101.570 -7.028 -3.673 1.00 0.00 C ATOM 556 OD1 ASP A 34 100.388 -7.273 -3.497 1.00 0.00 O ATOM 557 OD2 ASP A 34 102.363 -6.814 -2.771 1.00 0.00 O ATOM 0 H ASP A 34 101.189 -9.281 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 34 100.060 -6.676 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 34 102.869 -7.735 -5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 34 102.537 -6.016 -5.318 1.00 0.00 H new ATOM 562 N ASN A 35 100.650 -5.883 -8.058 1.00 0.00 N ATOM 563 CA ASN A 35 100.995 -5.412 -9.427 1.00 0.00 C ATOM 564 C ASN A 35 100.652 -3.925 -9.544 1.00 0.00 C ATOM 565 O ASN A 35 100.085 -3.485 -10.524 1.00 0.00 O ATOM 566 CB ASN A 35 100.188 -6.204 -10.459 1.00 0.00 C ATOM 567 CG ASN A 35 100.789 -7.603 -10.613 1.00 0.00 C ATOM 568 OD1 ASN A 35 101.969 -7.746 -10.861 1.00 0.00 O ATOM 569 ND2 ASN A 35 100.018 -8.648 -10.477 1.00 0.00 N ATOM 0 H ASN A 35 99.851 -5.416 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 35 102.059 -5.561 -9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.147 -6.277 -10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.196 -5.686 -11.418 1.00 0.00 H new ATOM 0 HD21 ASN A 35 100.407 -9.585 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 35 99.027 -8.527 -10.269 1.00 0.00 H new ATOM 576 N LEU A 36 100.969 -3.148 -8.541 1.00 0.00 N ATOM 577 CA LEU A 36 100.634 -1.697 -8.593 1.00 0.00 C ATOM 578 C LEU A 36 101.750 -0.899 -9.271 1.00 0.00 C ATOM 579 O LEU A 36 102.877 -1.351 -9.405 1.00 0.00 O ATOM 580 CB LEU A 36 100.415 -1.164 -7.171 1.00 0.00 C ATOM 581 CG LEU A 36 101.754 -1.043 -6.430 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.738 0.206 -5.545 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.968 -2.281 -5.554 1.00 0.00 C ATOM 0 H LEU A 36 101.443 -3.455 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 36 99.721 -1.579 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.926 -0.191 -7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.749 -1.832 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 36 102.563 -0.965 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.689 0.291 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.586 1.089 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.928 0.128 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.919 -2.195 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.158 -2.358 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.980 -3.173 -6.181 1.00 0.00 H new ATOM 595 N LYS A 37 101.430 0.300 -9.684 1.00 0.00 N ATOM 596 CA LYS A 37 102.433 1.177 -10.347 1.00 0.00 C ATOM 597 C LYS A 37 102.690 2.395 -9.459 1.00 0.00 C ATOM 598 O LYS A 37 101.787 2.918 -8.838 1.00 0.00 O ATOM 599 CB LYS A 37 101.877 1.646 -11.697 1.00 0.00 C ATOM 600 CG LYS A 37 102.670 1.003 -12.838 1.00 0.00 C ATOM 601 CD LYS A 37 102.079 1.438 -14.182 1.00 0.00 C ATOM 602 CE LYS A 37 102.722 2.755 -14.622 1.00 0.00 C ATOM 603 NZ LYS A 37 104.102 2.491 -15.120 1.00 0.00 N ATOM 0 H LYS A 37 100.502 0.712 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 37 103.362 0.628 -10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 37 100.823 1.379 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.937 2.732 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.718 1.297 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.638 -0.083 -12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 37 102.252 0.668 -14.934 1.00 0.00 H new ATOM 0 HD3 LYS A 37 100.999 1.560 -14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 37 102.124 3.220 -15.405 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.753 3.454 -13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 104.393 3.258 -15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 104.758 2.443 -14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 104.118 1.587 -15.635 1.00 0.00 H new ATOM 617 N LEU A 38 103.907 2.855 -9.392 1.00 0.00 N ATOM 618 CA LEU A 38 104.196 4.041 -8.542 1.00 0.00 C ATOM 619 C LEU A 38 105.362 4.833 -9.130 1.00 0.00 C ATOM 620 O LEU A 38 106.306 4.278 -9.658 1.00 0.00 O ATOM 621 CB LEU A 38 104.551 3.580 -7.125 1.00 0.00 C ATOM 622 CG LEU A 38 105.891 2.838 -7.134 1.00 0.00 C ATOM 623 CD1 LEU A 38 106.271 2.450 -5.702 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.771 1.577 -7.995 1.00 0.00 C ATOM 0 H LEU A 38 104.709 2.464 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 38 103.313 4.680 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 38 104.607 4.440 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 38 103.768 2.928 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 38 106.663 3.486 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 38 107.225 1.922 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 38 106.359 3.349 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 38 105.501 1.802 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 106.724 1.049 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 38 104.999 0.927 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 38 105.504 1.856 -9.014 1.00 0.00 H new ATOM 636 N THR A 39 105.306 6.133 -9.030 1.00 0.00 N ATOM 637 CA THR A 39 106.412 6.973 -9.565 1.00 0.00 C ATOM 638 C THR A 39 107.256 7.465 -8.391 1.00 0.00 C ATOM 639 O THR A 39 106.742 7.754 -7.329 1.00 0.00 O ATOM 640 CB THR A 39 105.831 8.170 -10.321 1.00 0.00 C ATOM 641 OG1 THR A 39 104.691 7.755 -11.059 1.00 0.00 O ATOM 642 CG2 THR A 39 106.885 8.731 -11.277 1.00 0.00 C ATOM 0 H THR A 39 104.539 6.650 -8.599 1.00 0.00 H new ATOM 0 HA THR A 39 107.028 6.390 -10.250 1.00 0.00 H new ATOM 0 HB THR A 39 105.540 8.943 -9.610 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.317 8.521 -11.542 1.00 0.00 H new ATOM 0 HG21 THR A 39 106.471 9.584 -11.815 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.759 9.050 -10.709 1.00 0.00 H new ATOM 0 HG23 THR A 39 107.178 7.960 -11.989 1.00 0.00 H new ATOM 650 N ILE A 40 108.546 7.554 -8.560 1.00 0.00 N ATOM 651 CA ILE A 40 109.404 8.019 -7.432 1.00 0.00 C ATOM 652 C ILE A 40 110.382 9.085 -7.920 1.00 0.00 C ATOM 653 O ILE A 40 111.084 8.906 -8.896 1.00 0.00 O ATOM 654 CB ILE A 40 110.176 6.827 -6.861 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.244 6.008 -5.962 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.364 7.331 -6.037 1.00 0.00 C ATOM 657 CD1 ILE A 40 109.665 4.540 -5.990 1.00 0.00 C ATOM 0 H ILE A 40 109.041 7.327 -9.422 1.00 0.00 H new ATOM 0 HA ILE A 40 108.774 8.453 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 40 110.542 6.204 -7.677 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.281 6.388 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.213 6.108 -6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.912 6.481 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 40 112.025 7.919 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 40 111.001 7.953 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.001 3.959 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.606 4.164 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.689 4.448 -5.629 1.00 0.00 H new ATOM 669 N THR A 41 110.433 10.198 -7.237 1.00 0.00 N ATOM 670 CA THR A 41 111.357 11.285 -7.635 1.00 0.00 C ATOM 671 C THR A 41 112.128 11.755 -6.403 1.00 0.00 C ATOM 672 O THR A 41 111.652 11.656 -5.289 1.00 0.00 O ATOM 673 CB THR A 41 110.556 12.454 -8.203 1.00 0.00 C ATOM 674 OG1 THR A 41 109.433 11.954 -8.918 1.00 0.00 O ATOM 675 CG2 THR A 41 111.440 13.275 -9.143 1.00 0.00 C ATOM 0 H THR A 41 109.866 10.397 -6.413 1.00 0.00 H new ATOM 0 HA THR A 41 112.050 10.919 -8.392 1.00 0.00 H new ATOM 0 HB THR A 41 110.213 13.090 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.917 12.703 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.866 14.109 -9.547 1.00 0.00 H new ATOM 0 HG22 THR A 41 112.299 13.659 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 41 111.787 12.643 -9.961 1.00 0.00 H new ATOM 683 N GLN A 42 113.311 12.263 -6.589 1.00 0.00 N ATOM 684 CA GLN A 42 114.108 12.736 -5.425 1.00 0.00 C ATOM 685 C GLN A 42 114.662 14.130 -5.721 1.00 0.00 C ATOM 686 O GLN A 42 115.172 14.390 -6.792 1.00 0.00 O ATOM 687 CB GLN A 42 115.271 11.769 -5.177 1.00 0.00 C ATOM 688 CG GLN A 42 116.107 12.257 -3.992 1.00 0.00 C ATOM 689 CD GLN A 42 117.376 11.410 -3.879 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.755 11.001 -2.799 1.00 0.00 O ATOM 691 NE2 GLN A 42 118.055 11.130 -4.958 1.00 0.00 N ATOM 0 H GLN A 42 113.762 12.372 -7.497 1.00 0.00 H new ATOM 0 HA GLN A 42 113.472 12.776 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.888 10.769 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.894 11.698 -6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.368 13.307 -4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.528 12.188 -3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.737 11.473 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.904 10.568 -4.895 1.00 0.00 H new ATOM 700 N GLU A 43 114.570 15.030 -4.779 1.00 0.00 N ATOM 701 CA GLU A 43 115.097 16.404 -5.007 1.00 0.00 C ATOM 702 C GLU A 43 116.009 16.800 -3.844 1.00 0.00 C ATOM 703 O GLU A 43 115.621 17.535 -2.958 1.00 0.00 O ATOM 704 CB GLU A 43 113.930 17.391 -5.101 1.00 0.00 C ATOM 705 CG GLU A 43 113.376 17.393 -6.526 1.00 0.00 C ATOM 706 CD GLU A 43 114.301 18.207 -7.433 1.00 0.00 C ATOM 707 OE1 GLU A 43 115.043 17.599 -8.188 1.00 0.00 O ATOM 708 OE2 GLU A 43 114.253 19.423 -7.357 1.00 0.00 O ATOM 0 H GLU A 43 114.152 14.872 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 43 115.665 16.425 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 43 113.147 17.113 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.264 18.392 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 43 113.293 16.371 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 43 112.372 17.818 -6.537 1.00 0.00 H new ATOM 715 N GLY A 44 117.224 16.322 -3.849 1.00 0.00 N ATOM 716 CA GLY A 44 118.174 16.671 -2.755 1.00 0.00 C ATOM 717 C GLY A 44 117.558 16.351 -1.389 1.00 0.00 C ATOM 718 O GLY A 44 117.873 15.353 -0.773 1.00 0.00 O ATOM 0 H GLY A 44 117.600 15.703 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 44 119.103 16.115 -2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.426 17.730 -2.808 1.00 0.00 H new ATOM 722 N ASN A 45 116.695 17.204 -0.905 1.00 0.00 N ATOM 723 CA ASN A 45 116.069 16.968 0.431 1.00 0.00 C ATOM 724 C ASN A 45 114.545 16.970 0.302 1.00 0.00 C ATOM 725 O ASN A 45 113.835 17.311 1.225 1.00 0.00 O ATOM 726 CB ASN A 45 116.506 18.067 1.407 1.00 0.00 C ATOM 727 CG ASN A 45 117.701 18.824 0.828 1.00 0.00 C ATOM 728 OD1 ASN A 45 117.533 19.772 0.086 1.00 0.00 O ATOM 729 ND2 ASN A 45 118.911 18.445 1.136 1.00 0.00 N ATOM 0 H ASN A 45 116.395 18.057 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 45 116.393 15.998 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.680 18.755 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.772 17.628 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.714 18.944 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 45 119.053 17.650 1.759 1.00 0.00 H new ATOM 736 N LYS A 46 114.036 16.585 -0.832 1.00 0.00 N ATOM 737 CA LYS A 46 112.573 16.553 -1.019 1.00 0.00 C ATOM 738 C LYS A 46 112.238 15.372 -1.916 1.00 0.00 C ATOM 739 O LYS A 46 112.533 15.352 -3.094 1.00 0.00 O ATOM 740 CB LYS A 46 112.104 17.853 -1.679 1.00 0.00 C ATOM 741 CG LYS A 46 111.970 18.959 -0.621 1.00 0.00 C ATOM 742 CD LYS A 46 113.027 20.039 -0.870 1.00 0.00 C ATOM 743 CE LYS A 46 112.890 21.139 0.183 1.00 0.00 C ATOM 744 NZ LYS A 46 114.190 21.855 0.323 1.00 0.00 N ATOM 0 H LYS A 46 114.581 16.289 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 46 112.072 16.452 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 46 112.814 18.157 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.146 17.694 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 46 110.972 19.396 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 46 112.093 18.538 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 46 114.025 19.603 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 46 112.905 20.459 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 46 112.106 21.839 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 46 112.595 20.707 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 114.099 22.604 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 114.927 21.183 0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 114.453 22.279 -0.590 1.00 0.00 H new ATOM 758 N PHE A 47 111.620 14.392 -1.351 1.00 0.00 N ATOM 759 CA PHE A 47 111.241 13.181 -2.129 1.00 0.00 C ATOM 760 C PHE A 47 109.802 13.332 -2.609 1.00 0.00 C ATOM 761 O PHE A 47 109.034 14.097 -2.062 1.00 0.00 O ATOM 762 CB PHE A 47 111.340 11.945 -1.232 1.00 0.00 C ATOM 763 CG PHE A 47 112.757 11.426 -1.227 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.778 12.183 -0.641 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.050 10.185 -1.804 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.091 11.700 -0.631 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.364 9.701 -1.796 1.00 0.00 C ATOM 768 CZ PHE A 47 115.385 10.459 -1.209 1.00 0.00 C ATOM 0 H PHE A 47 111.353 14.370 -0.367 1.00 0.00 H new ATOM 0 HA PHE A 47 111.911 13.068 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.032 12.196 -0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.661 11.171 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.552 13.141 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.262 9.600 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.878 12.284 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.590 8.744 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.399 10.086 -1.202 1.00 0.00 H new ATOM 778 N THR A 48 109.418 12.598 -3.614 1.00 0.00 N ATOM 779 CA THR A 48 108.028 12.697 -4.100 1.00 0.00 C ATOM 780 C THR A 48 107.644 11.359 -4.728 1.00 0.00 C ATOM 781 O THR A 48 108.042 11.038 -5.830 1.00 0.00 O ATOM 782 CB THR A 48 107.932 13.802 -5.153 1.00 0.00 C ATOM 783 OG1 THR A 48 108.430 15.017 -4.610 1.00 0.00 O ATOM 784 CG2 THR A 48 106.473 13.988 -5.581 1.00 0.00 C ATOM 0 H THR A 48 110.011 11.936 -4.115 1.00 0.00 H new ATOM 0 HA THR A 48 107.356 12.933 -3.275 1.00 0.00 H new ATOM 0 HB THR A 48 108.525 13.523 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 48 108.370 15.725 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 48 106.412 14.776 -6.331 1.00 0.00 H new ATOM 0 HG22 THR A 48 106.096 13.056 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.872 14.264 -4.715 1.00 0.00 H new ATOM 792 N VAL A 49 106.883 10.578 -4.026 1.00 0.00 N ATOM 793 CA VAL A 49 106.469 9.251 -4.556 1.00 0.00 C ATOM 794 C VAL A 49 104.970 9.265 -4.865 1.00 0.00 C ATOM 795 O VAL A 49 104.163 9.672 -4.055 1.00 0.00 O ATOM 796 CB VAL A 49 106.776 8.173 -3.514 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.443 8.702 -2.119 1.00 0.00 C ATOM 798 CG2 VAL A 49 105.938 6.925 -3.800 1.00 0.00 C ATOM 0 H VAL A 49 106.525 10.801 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 49 107.018 9.035 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 49 107.834 7.916 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.662 7.934 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 49 107.044 9.588 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.386 8.962 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 49 106.159 6.160 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 49 104.879 7.180 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.178 6.545 -4.793 1.00 0.00 H new ATOM 808 N LYS A 50 104.595 8.821 -6.036 1.00 0.00 N ATOM 809 CA LYS A 50 103.152 8.803 -6.405 1.00 0.00 C ATOM 810 C LYS A 50 102.715 7.365 -6.696 1.00 0.00 C ATOM 811 O LYS A 50 102.958 6.837 -7.763 1.00 0.00 O ATOM 812 CB LYS A 50 102.935 9.663 -7.651 1.00 0.00 C ATOM 813 CG LYS A 50 101.524 9.430 -8.194 1.00 0.00 C ATOM 814 CD LYS A 50 101.162 10.547 -9.175 1.00 0.00 C ATOM 815 CE LYS A 50 99.911 10.151 -9.962 1.00 0.00 C ATOM 816 NZ LYS A 50 100.218 8.977 -10.825 1.00 0.00 N ATOM 0 H LYS A 50 105.229 8.469 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 50 102.562 9.201 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.073 10.716 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.675 9.413 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.470 8.462 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 50 100.807 9.406 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.985 11.477 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.992 10.728 -9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.099 9.909 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.574 10.987 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.556 8.953 -11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 101.192 9.054 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.122 8.103 -10.269 1.00 0.00 H new ATOM 830 N GLU A 51 102.068 6.729 -5.757 1.00 0.00 N ATOM 831 CA GLU A 51 101.613 5.327 -5.984 1.00 0.00 C ATOM 832 C GLU A 51 100.392 5.337 -6.904 1.00 0.00 C ATOM 833 O GLU A 51 99.672 6.313 -6.982 1.00 0.00 O ATOM 834 CB GLU A 51 101.237 4.690 -4.643 1.00 0.00 C ATOM 835 CG GLU A 51 102.460 4.676 -3.723 1.00 0.00 C ATOM 836 CD GLU A 51 102.009 4.455 -2.278 1.00 0.00 C ATOM 837 OE1 GLU A 51 101.624 3.342 -1.962 1.00 0.00 O ATOM 838 OE2 GLU A 51 102.055 5.405 -1.512 1.00 0.00 O ATOM 0 H GLU A 51 101.835 7.119 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 51 102.415 4.751 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.425 5.249 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.875 3.674 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.147 3.886 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.002 5.618 -3.806 1.00 0.00 H new ATOM 845 N SER A 52 100.141 4.254 -7.592 1.00 0.00 N ATOM 846 CA SER A 52 98.966 4.204 -8.489 1.00 0.00 C ATOM 847 C SER A 52 98.604 2.751 -8.743 1.00 0.00 C ATOM 848 O SER A 52 99.269 2.036 -9.465 1.00 0.00 O ATOM 849 CB SER A 52 99.298 4.891 -9.815 1.00 0.00 C ATOM 850 OG SER A 52 100.025 6.084 -9.557 1.00 0.00 O ATOM 0 H SER A 52 100.704 3.404 -7.566 1.00 0.00 H new ATOM 0 HA SER A 52 98.125 4.719 -8.024 1.00 0.00 H new ATOM 0 HB2 SER A 52 99.884 4.224 -10.447 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.381 5.120 -10.358 1.00 0.00 H new ATOM 0 HG SER A 52 99.684 6.505 -8.740 1.00 0.00 H new ATOM 856 N SER A 53 97.537 2.324 -8.150 1.00 0.00 N ATOM 857 CA SER A 53 97.074 0.928 -8.329 1.00 0.00 C ATOM 858 C SER A 53 95.570 0.949 -8.599 1.00 0.00 C ATOM 859 O SER A 53 94.847 1.761 -8.059 1.00 0.00 O ATOM 860 CB SER A 53 97.353 0.130 -7.055 1.00 0.00 C ATOM 861 OG SER A 53 96.135 -0.075 -6.352 1.00 0.00 O ATOM 0 H SER A 53 96.953 2.892 -7.536 1.00 0.00 H new ATOM 0 HA SER A 53 97.599 0.462 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.808 -0.829 -7.305 1.00 0.00 H new ATOM 0 HB3 SER A 53 98.064 0.665 -6.425 1.00 0.00 H new ATOM 0 HG SER A 53 96.291 0.027 -5.390 1.00 0.00 H new ATOM 867 N ALA A 54 95.090 0.068 -9.426 1.00 0.00 N ATOM 868 CA ALA A 54 93.631 0.048 -9.718 1.00 0.00 C ATOM 869 C ALA A 54 92.854 -0.148 -8.415 1.00 0.00 C ATOM 870 O ALA A 54 91.656 -0.355 -8.424 1.00 0.00 O ATOM 871 CB ALA A 54 93.319 -1.102 -10.678 1.00 0.00 C ATOM 0 H ALA A 54 95.642 -0.638 -9.912 1.00 0.00 H new ATOM 0 HA ALA A 54 93.338 0.992 -10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.250 -1.117 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.873 -0.962 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.611 -2.047 -10.220 1.00 0.00 H new ATOM 877 N PHE A 55 93.526 -0.106 -7.292 1.00 0.00 N ATOM 878 CA PHE A 55 92.824 -0.313 -5.996 1.00 0.00 C ATOM 879 C PHE A 55 92.827 0.968 -5.151 1.00 0.00 C ATOM 880 O PHE A 55 92.027 1.104 -4.249 1.00 0.00 O ATOM 881 CB PHE A 55 93.518 -1.432 -5.217 1.00 0.00 C ATOM 882 CG PHE A 55 93.171 -2.765 -5.835 1.00 0.00 C ATOM 883 CD1 PHE A 55 94.028 -3.342 -6.781 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.994 -3.425 -5.463 1.00 0.00 C ATOM 885 CE1 PHE A 55 93.706 -4.578 -7.354 1.00 0.00 C ATOM 886 CE2 PHE A 55 91.674 -4.661 -6.036 1.00 0.00 C ATOM 887 CZ PHE A 55 92.529 -5.238 -6.982 1.00 0.00 C ATOM 0 H PHE A 55 94.529 0.063 -7.220 1.00 0.00 H new ATOM 0 HA PHE A 55 91.789 -0.583 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.598 -1.283 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.206 -1.411 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.937 -2.834 -7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.333 -2.980 -4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 55 94.366 -5.023 -8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.766 -5.170 -5.748 1.00 0.00 H new ATOM 0 HZ PHE A 55 92.281 -6.191 -7.424 1.00 0.00 H new ATOM 897 N ARG A 56 93.707 1.908 -5.415 1.00 0.00 N ATOM 898 CA ARG A 56 93.722 3.154 -4.596 1.00 0.00 C ATOM 899 C ARG A 56 95.065 3.861 -4.771 1.00 0.00 C ATOM 900 O ARG A 56 95.990 3.658 -4.010 1.00 0.00 O ATOM 901 CB ARG A 56 93.523 2.811 -3.111 1.00 0.00 C ATOM 902 CG ARG A 56 92.097 3.172 -2.681 1.00 0.00 C ATOM 903 CD ARG A 56 92.052 4.638 -2.250 1.00 0.00 C ATOM 904 NE ARG A 56 90.642 5.028 -1.965 1.00 0.00 N ATOM 905 CZ ARG A 56 90.390 6.036 -1.175 1.00 0.00 C ATOM 906 NH1 ARG A 56 89.156 6.376 -0.924 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.373 6.706 -0.638 1.00 0.00 N ATOM 0 H ARG A 56 94.407 1.863 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 56 92.913 3.806 -4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.704 1.749 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 56 94.245 3.356 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.403 3.002 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.780 2.530 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.668 4.787 -1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.465 5.272 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 56 89.874 4.507 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 56 88.387 5.854 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 56 88.960 7.164 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.338 6.442 -0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 56 91.176 7.494 -0.021 1.00 0.00 H new ATOM 921 N ASN A 57 95.176 4.689 -5.766 1.00 0.00 N ATOM 922 CA ASN A 57 96.457 5.413 -5.993 1.00 0.00 C ATOM 923 C ASN A 57 96.750 6.320 -4.796 1.00 0.00 C ATOM 924 O ASN A 57 95.853 6.841 -4.166 1.00 0.00 O ATOM 925 CB ASN A 57 96.343 6.265 -7.260 1.00 0.00 C ATOM 926 CG ASN A 57 95.272 7.338 -7.058 1.00 0.00 C ATOM 927 OD1 ASN A 57 95.507 8.503 -7.312 1.00 0.00 O ATOM 928 ND2 ASN A 57 94.097 6.992 -6.609 1.00 0.00 N ATOM 0 H ASN A 57 94.435 4.898 -6.435 1.00 0.00 H new ATOM 0 HA ASN A 57 97.266 4.692 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.302 6.731 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.087 5.636 -8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 57 93.375 7.699 -6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 57 93.900 6.014 -6.396 1.00 0.00 H new ATOM 935 N ILE A 58 98.003 6.501 -4.470 1.00 0.00 N ATOM 936 CA ILE A 58 98.359 7.358 -3.307 1.00 0.00 C ATOM 937 C ILE A 58 99.522 8.277 -3.668 1.00 0.00 C ATOM 938 O ILE A 58 100.107 8.183 -4.729 1.00 0.00 O ATOM 939 CB ILE A 58 98.773 6.492 -2.128 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.970 5.195 -2.133 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.517 7.247 -0.818 1.00 0.00 C ATOM 942 CD1 ILE A 58 98.052 4.563 -0.748 1.00 0.00 C ATOM 0 H ILE A 58 98.796 6.090 -4.963 1.00 0.00 H new ATOM 0 HA ILE A 58 97.486 7.954 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 58 99.835 6.259 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.931 5.395 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 58 98.363 4.510 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.815 6.624 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 58 99.098 8.169 -0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.456 7.485 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 58 97.482 3.634 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 58 99.094 4.352 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.639 5.250 -0.009 1.00 0.00 H new ATOM 954 N GLU A 59 99.856 9.162 -2.777 1.00 0.00 N ATOM 955 CA GLU A 59 100.982 10.103 -3.031 1.00 0.00 C ATOM 956 C GLU A 59 101.599 10.532 -1.698 1.00 0.00 C ATOM 957 O GLU A 59 100.915 10.674 -0.704 1.00 0.00 O ATOM 958 CB GLU A 59 100.460 11.334 -3.777 1.00 0.00 C ATOM 959 CG GLU A 59 99.777 12.283 -2.789 1.00 0.00 C ATOM 960 CD GLU A 59 98.715 13.107 -3.520 1.00 0.00 C ATOM 961 OE1 GLU A 59 97.564 12.705 -3.501 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.072 14.127 -4.088 1.00 0.00 O ATOM 0 H GLU A 59 99.394 9.277 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 59 101.741 9.608 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.283 11.845 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.755 11.031 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.318 11.714 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.515 12.944 -2.334 1.00 0.00 H new ATOM 969 N CYS A 60 102.886 10.740 -1.671 1.00 0.00 N ATOM 970 CA CYS A 60 103.544 11.159 -0.403 1.00 0.00 C ATOM 971 C CYS A 60 104.796 11.981 -0.718 1.00 0.00 C ATOM 972 O CYS A 60 105.784 11.464 -1.201 1.00 0.00 O ATOM 973 CB CYS A 60 103.942 9.916 0.400 1.00 0.00 C ATOM 974 SG CYS A 60 102.543 9.368 1.408 1.00 0.00 S ATOM 0 H CYS A 60 103.510 10.638 -2.472 1.00 0.00 H new ATOM 0 HA CYS A 60 102.850 11.765 0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 60 104.251 9.118 -0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.796 10.142 1.038 1.00 0.00 H new ATOM 980 N VAL A 61 104.766 13.257 -0.439 1.00 0.00 N ATOM 981 CA VAL A 61 105.950 14.114 -0.710 1.00 0.00 C ATOM 982 C VAL A 61 106.561 14.541 0.621 1.00 0.00 C ATOM 983 O VAL A 61 105.857 14.853 1.560 1.00 0.00 O ATOM 984 CB VAL A 61 105.512 15.359 -1.477 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.590 15.757 -2.486 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.202 15.073 -2.214 1.00 0.00 C ATOM 0 H VAL A 61 103.966 13.742 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 61 106.680 13.559 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 61 105.362 16.177 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.270 16.646 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.521 15.969 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.749 14.940 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 61 103.891 15.963 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.350 14.250 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.431 14.802 -1.493 1.00 0.00 H new ATOM 996 N PHE A 62 107.858 14.567 0.719 1.00 0.00 N ATOM 997 CA PHE A 62 108.471 14.990 2.014 1.00 0.00 C ATOM 998 C PHE A 62 109.994 14.850 1.969 1.00 0.00 C ATOM 999 O PHE A 62 110.547 14.185 1.117 1.00 0.00 O ATOM 1000 CB PHE A 62 107.911 14.117 3.144 1.00 0.00 C ATOM 1001 CG PHE A 62 106.887 14.898 3.934 1.00 0.00 C ATOM 1002 CD1 PHE A 62 105.579 14.413 4.057 1.00 0.00 C ATOM 1003 CD2 PHE A 62 107.245 16.107 4.542 1.00 0.00 C ATOM 1004 CE1 PHE A 62 104.630 15.137 4.790 1.00 0.00 C ATOM 1005 CE2 PHE A 62 106.296 16.831 5.274 1.00 0.00 C ATOM 1006 CZ PHE A 62 104.989 16.346 5.397 1.00 0.00 C ATOM 0 H PHE A 62 108.513 14.320 -0.023 1.00 0.00 H new ATOM 0 HA PHE A 62 108.227 16.037 2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.455 13.218 2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.719 13.792 3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 62 105.302 13.481 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 62 108.253 16.481 4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 62 103.622 14.762 4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.573 17.763 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 62 104.257 16.905 5.961 1.00 0.00 H new ATOM 1016 N GLU A 63 110.668 15.462 2.905 1.00 0.00 N ATOM 1017 CA GLU A 63 112.154 15.366 2.956 1.00 0.00 C ATOM 1018 C GLU A 63 112.536 14.140 3.786 1.00 0.00 C ATOM 1019 O GLU A 63 111.703 13.544 4.438 1.00 0.00 O ATOM 1020 CB GLU A 63 112.720 16.625 3.618 1.00 0.00 C ATOM 1021 CG GLU A 63 114.235 16.485 3.782 1.00 0.00 C ATOM 1022 CD GLU A 63 114.859 17.869 3.966 1.00 0.00 C ATOM 1023 OE1 GLU A 63 115.875 17.955 4.635 1.00 0.00 O ATOM 1024 OE2 GLU A 63 114.311 18.820 3.434 1.00 0.00 O ATOM 0 H GLU A 63 110.249 16.029 3.642 1.00 0.00 H new ATOM 0 HA GLU A 63 112.559 15.275 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.490 17.501 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 63 112.252 16.778 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 63 114.462 15.855 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 63 114.662 15.995 2.907 1.00 0.00 H new ATOM 1031 N LEU A 64 113.781 13.752 3.776 1.00 0.00 N ATOM 1032 CA LEU A 64 114.183 12.561 4.576 1.00 0.00 C ATOM 1033 C LEU A 64 114.570 12.999 5.991 1.00 0.00 C ATOM 1034 O LEU A 64 115.338 13.922 6.178 1.00 0.00 O ATOM 1035 CB LEU A 64 115.368 11.860 3.901 1.00 0.00 C ATOM 1036 CG LEU A 64 116.645 12.689 4.081 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.419 12.191 5.307 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.525 12.543 2.835 1.00 0.00 C ATOM 0 H LEU A 64 114.532 14.203 3.253 1.00 0.00 H new ATOM 0 HA LEU A 64 113.346 11.865 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.506 10.868 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.162 11.722 2.840 1.00 0.00 H new ATOM 0 HG LEU A 64 116.377 13.736 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.326 12.783 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 116.796 12.291 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.686 11.144 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.434 13.132 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.788 11.494 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 64 116.980 12.899 1.961 1.00 0.00 H new ATOM 1050 N GLY A 65 114.042 12.343 6.991 1.00 0.00 N ATOM 1051 CA GLY A 65 114.379 12.718 8.396 1.00 0.00 C ATOM 1052 C GLY A 65 113.135 13.270 9.101 1.00 0.00 C ATOM 1053 O GLY A 65 113.011 13.189 10.308 1.00 0.00 O ATOM 0 H GLY A 65 113.392 11.563 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.756 11.848 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.173 13.465 8.402 1.00 0.00 H new ATOM 1057 N VAL A 66 112.217 13.834 8.365 1.00 0.00 N ATOM 1058 CA VAL A 66 110.990 14.393 9.001 1.00 0.00 C ATOM 1059 C VAL A 66 109.877 13.342 8.989 1.00 0.00 C ATOM 1060 O VAL A 66 109.427 12.915 7.945 1.00 0.00 O ATOM 1061 CB VAL A 66 110.532 15.630 8.228 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.416 16.332 9.004 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.713 16.590 8.057 1.00 0.00 C ATOM 0 H VAL A 66 112.263 13.932 7.351 1.00 0.00 H new ATOM 0 HA VAL A 66 111.213 14.670 10.031 1.00 0.00 H new ATOM 0 HB VAL A 66 110.161 15.329 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.089 17.214 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.575 15.650 9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.788 16.633 9.984 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.388 17.472 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.083 16.890 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.510 16.091 7.506 1.00 0.00 H new ATOM 1073 N THR A 67 109.428 12.924 10.142 1.00 0.00 N ATOM 1074 CA THR A 67 108.345 11.904 10.200 1.00 0.00 C ATOM 1075 C THR A 67 107.149 12.366 9.381 1.00 0.00 C ATOM 1076 O THR A 67 106.807 13.531 9.340 1.00 0.00 O ATOM 1077 CB THR A 67 107.906 11.704 11.649 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.015 11.908 12.513 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.363 10.284 11.833 1.00 0.00 C ATOM 0 H THR A 67 109.767 13.247 11.048 1.00 0.00 H new ATOM 0 HA THR A 67 108.724 10.966 9.794 1.00 0.00 H new ATOM 0 HB THR A 67 107.122 12.421 11.891 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.733 11.781 13.443 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.051 10.145 12.868 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.509 10.133 11.173 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.142 9.562 11.589 1.00 0.00 H new ATOM 1087 N PHE A 68 106.501 11.439 8.754 1.00 0.00 N ATOM 1088 CA PHE A 68 105.298 11.759 7.947 1.00 0.00 C ATOM 1089 C PHE A 68 104.404 10.529 7.955 1.00 0.00 C ATOM 1090 O PHE A 68 104.655 9.588 8.679 1.00 0.00 O ATOM 1091 CB PHE A 68 105.682 12.119 6.508 1.00 0.00 C ATOM 1092 CG PHE A 68 106.983 11.455 6.135 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.056 10.062 6.020 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.117 12.238 5.893 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.268 9.453 5.663 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.324 11.629 5.540 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.398 10.239 5.424 1.00 0.00 C ATOM 0 H PHE A 68 106.757 10.452 8.765 1.00 0.00 H new ATOM 0 HA PHE A 68 104.782 12.620 8.372 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.895 11.803 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.776 13.200 6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.181 9.457 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.059 13.313 5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.328 8.378 5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.200 12.233 5.357 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.331 9.771 5.149 1.00 0.00 H new ATOM 1107 N ASN A 69 103.366 10.511 7.173 1.00 0.00 N ATOM 1108 CA ASN A 69 102.484 9.319 7.180 1.00 0.00 C ATOM 1109 C ASN A 69 101.968 9.025 5.774 1.00 0.00 C ATOM 1110 O ASN A 69 101.811 9.907 4.953 1.00 0.00 O ATOM 1111 CB ASN A 69 101.299 9.568 8.115 1.00 0.00 C ATOM 1112 CG ASN A 69 100.330 10.555 7.461 1.00 0.00 C ATOM 1113 OD1 ASN A 69 99.695 10.236 6.474 1.00 0.00 O ATOM 1114 ND2 ASN A 69 100.188 11.747 7.970 1.00 0.00 N ATOM 0 H ASN A 69 103.093 11.260 6.537 1.00 0.00 H new ATOM 0 HA ASN A 69 103.058 8.461 7.529 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.788 8.629 8.330 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.651 9.965 9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.544 12.412 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 69 100.720 12.015 8.798 1.00 0.00 H new ATOM 1121 N CYS A 70 101.692 7.781 5.503 1.00 0.00 N ATOM 1122 CA CYS A 70 101.168 7.394 4.169 1.00 0.00 C ATOM 1123 C CYS A 70 100.207 6.222 4.359 1.00 0.00 C ATOM 1124 O CYS A 70 100.533 5.239 4.997 1.00 0.00 O ATOM 1125 CB CYS A 70 102.324 6.977 3.258 1.00 0.00 C ATOM 1126 SG CYS A 70 103.402 8.401 2.961 1.00 0.00 S ATOM 0 H CYS A 70 101.809 7.008 6.158 1.00 0.00 H new ATOM 0 HA CYS A 70 100.650 8.235 3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 70 102.891 6.168 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 70 101.937 6.597 2.313 1.00 0.00 H new ATOM 1132 N ASN A 71 99.017 6.322 3.840 1.00 0.00 N ATOM 1133 CA ASN A 71 98.042 5.215 4.026 1.00 0.00 C ATOM 1134 C ASN A 71 98.244 4.146 2.951 1.00 0.00 C ATOM 1135 O ASN A 71 98.541 4.444 1.812 1.00 0.00 O ATOM 1136 CB ASN A 71 96.616 5.767 3.942 1.00 0.00 C ATOM 1137 CG ASN A 71 96.624 7.254 4.304 1.00 0.00 C ATOM 1138 OD1 ASN A 71 96.842 7.613 5.443 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.391 8.140 3.374 1.00 0.00 N ATOM 0 H ASN A 71 98.679 7.117 3.298 1.00 0.00 H new ATOM 0 HA ASN A 71 98.201 4.764 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.219 5.628 2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 71 95.962 5.220 4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.392 9.134 3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.208 7.839 2.417 1.00 0.00 H new ATOM 1146 N LEU A 72 98.077 2.901 3.308 1.00 0.00 N ATOM 1147 CA LEU A 72 98.251 1.809 2.309 1.00 0.00 C ATOM 1148 C LEU A 72 96.885 1.418 1.742 1.00 0.00 C ATOM 1149 O LEU A 72 95.880 1.466 2.427 1.00 0.00 O ATOM 1150 CB LEU A 72 98.889 0.594 2.986 1.00 0.00 C ATOM 1151 CG LEU A 72 100.254 0.982 3.557 1.00 0.00 C ATOM 1152 CD1 LEU A 72 100.885 -0.234 4.238 1.00 0.00 C ATOM 1153 CD2 LEU A 72 101.165 1.461 2.424 1.00 0.00 C ATOM 0 H LEU A 72 97.828 2.594 4.248 1.00 0.00 H new ATOM 0 HA LEU A 72 98.896 2.154 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 72 98.241 0.227 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 72 99.002 -0.218 2.267 1.00 0.00 H new ATOM 0 HG LEU A 72 100.128 1.783 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 72 101.858 0.041 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.237 -0.576 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.010 -1.035 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 72 102.138 1.737 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 72 101.291 0.660 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 72 100.716 2.327 1.938 1.00 0.00 H new ATOM 1165 N ALA A 73 96.844 1.028 0.495 1.00 0.00 N ATOM 1166 CA ALA A 73 95.548 0.633 -0.127 1.00 0.00 C ATOM 1167 C ALA A 73 94.746 -0.228 0.848 1.00 0.00 C ATOM 1168 O ALA A 73 93.531 -0.226 0.837 1.00 0.00 O ATOM 1169 CB ALA A 73 95.819 -0.165 -1.405 1.00 0.00 C ATOM 0 H ALA A 73 97.655 0.966 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 73 94.977 1.530 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 73 94.872 -0.454 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 73 96.386 0.450 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 73 96.393 -1.059 -1.161 1.00 0.00 H new ATOM 1175 N ASP A 74 95.412 -0.963 1.694 1.00 0.00 N ATOM 1176 CA ASP A 74 94.683 -1.820 2.670 1.00 0.00 C ATOM 1177 C ASP A 74 93.959 -0.930 3.679 1.00 0.00 C ATOM 1178 O ASP A 74 93.582 -1.365 4.749 1.00 0.00 O ATOM 1179 CB ASP A 74 95.679 -2.720 3.404 1.00 0.00 C ATOM 1180 CG ASP A 74 96.065 -3.895 2.504 1.00 0.00 C ATOM 1181 OD1 ASP A 74 97.118 -3.826 1.892 1.00 0.00 O ATOM 1182 OD2 ASP A 74 95.302 -4.845 2.444 1.00 0.00 O ATOM 0 H ASP A 74 96.429 -1.007 1.752 1.00 0.00 H new ATOM 0 HA ASP A 74 93.958 -2.440 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 74 96.567 -2.150 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 74 95.239 -3.088 4.331 1.00 0.00 H new ATOM 1187 N GLY A 75 93.766 0.318 3.350 1.00 0.00 N ATOM 1188 CA GLY A 75 93.070 1.238 4.292 1.00 0.00 C ATOM 1189 C GLY A 75 93.886 1.347 5.579 1.00 0.00 C ATOM 1190 O GLY A 75 93.354 1.584 6.646 1.00 0.00 O ATOM 0 H GLY A 75 94.060 0.740 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 75 92.951 2.222 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 75 92.070 0.865 4.512 1.00 0.00 H new ATOM 1194 N THR A 76 95.176 1.171 5.487 1.00 0.00 N ATOM 1195 CA THR A 76 96.030 1.257 6.697 1.00 0.00 C ATOM 1196 C THR A 76 96.699 2.628 6.757 1.00 0.00 C ATOM 1197 O THR A 76 96.773 3.339 5.776 1.00 0.00 O ATOM 1198 CB THR A 76 97.110 0.179 6.644 1.00 0.00 C ATOM 1199 OG1 THR A 76 96.731 -0.830 5.718 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.296 -0.438 8.033 1.00 0.00 C ATOM 0 H THR A 76 95.674 0.971 4.620 1.00 0.00 H new ATOM 0 HA THR A 76 95.409 1.111 7.581 1.00 0.00 H new ATOM 0 HB THR A 76 98.050 0.628 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 76 97.426 -1.520 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.068 -1.207 7.989 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.595 0.337 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.357 -0.885 8.361 1.00 0.00 H new ATOM 1208 N GLU A 77 97.187 2.992 7.904 1.00 0.00 N ATOM 1209 CA GLU A 77 97.865 4.306 8.059 1.00 0.00 C ATOM 1210 C GLU A 77 99.226 4.081 8.719 1.00 0.00 C ATOM 1211 O GLU A 77 99.308 3.573 9.817 1.00 0.00 O ATOM 1212 CB GLU A 77 97.011 5.219 8.939 1.00 0.00 C ATOM 1213 CG GLU A 77 97.343 6.677 8.629 1.00 0.00 C ATOM 1214 CD GLU A 77 96.485 7.595 9.502 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.912 7.902 10.603 1.00 0.00 O ATOM 1216 OE2 GLU A 77 95.416 7.975 9.055 1.00 0.00 O ATOM 0 H GLU A 77 97.145 2.429 8.753 1.00 0.00 H new ATOM 0 HA GLU A 77 98.000 4.774 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 77 95.953 5.029 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 77 97.199 5.008 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.400 6.867 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.161 6.886 7.575 1.00 0.00 H new ATOM 1223 N LEU A 78 100.298 4.436 8.057 1.00 0.00 N ATOM 1224 CA LEU A 78 101.648 4.214 8.661 1.00 0.00 C ATOM 1225 C LEU A 78 102.437 5.526 8.697 1.00 0.00 C ATOM 1226 O LEU A 78 102.377 6.323 7.781 1.00 0.00 O ATOM 1227 CB LEU A 78 102.409 3.188 7.818 1.00 0.00 C ATOM 1228 CG LEU A 78 101.948 1.773 8.192 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.932 0.892 6.943 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.907 1.173 9.227 1.00 0.00 C ATOM 0 H LEU A 78 100.298 4.866 7.132 1.00 0.00 H new ATOM 0 HA LEU A 78 101.528 3.847 9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 78 102.233 3.371 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.481 3.288 7.985 1.00 0.00 H new ATOM 0 HG LEU A 78 100.945 1.823 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 78 101.604 -0.113 7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 78 101.246 1.314 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.935 0.845 6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 78 102.576 0.168 9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.912 1.126 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.915 1.798 10.120 1.00 0.00 H new ATOM 1242 N ARG A 79 103.181 5.756 9.751 1.00 0.00 N ATOM 1243 CA ARG A 79 103.977 7.015 9.845 1.00 0.00 C ATOM 1244 C ARG A 79 105.376 6.710 10.392 1.00 0.00 C ATOM 1245 O ARG A 79 105.551 5.833 11.216 1.00 0.00 O ATOM 1246 CB ARG A 79 103.250 8.007 10.770 1.00 0.00 C ATOM 1247 CG ARG A 79 103.934 8.054 12.141 1.00 0.00 C ATOM 1248 CD ARG A 79 103.075 8.864 13.116 1.00 0.00 C ATOM 1249 NE ARG A 79 102.186 9.784 12.352 1.00 0.00 N ATOM 1250 CZ ARG A 79 101.705 10.852 12.925 1.00 0.00 C ATOM 1251 NH1 ARG A 79 100.929 11.659 12.255 1.00 0.00 N ATOM 1252 NH2 ARG A 79 102.002 11.115 14.169 1.00 0.00 N ATOM 0 H ARG A 79 103.270 5.126 10.548 1.00 0.00 H new ATOM 0 HA ARG A 79 104.080 7.456 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.250 9.000 10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.208 7.710 10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 79 104.078 7.043 12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.922 8.505 12.050 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.477 8.194 13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 79 103.713 9.435 13.791 1.00 0.00 H new ATOM 0 HE ARG A 79 101.954 9.578 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.698 11.455 11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 79 100.553 12.494 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 79 102.610 10.485 14.692 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.626 11.950 14.617 1.00 0.00 H new ATOM 1266 N GLY A 80 106.375 7.427 9.933 1.00 0.00 N ATOM 1267 CA GLY A 80 107.749 7.191 10.413 1.00 0.00 C ATOM 1268 C GLY A 80 108.687 7.985 9.517 1.00 0.00 C ATOM 1269 O GLY A 80 108.565 9.184 9.397 1.00 0.00 O ATOM 0 H GLY A 80 106.283 8.170 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.852 7.506 11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 80 107.991 6.129 10.377 1.00 0.00 H new ATOM 1273 N THR A 81 109.597 7.334 8.861 1.00 0.00 N ATOM 1274 CA THR A 81 110.521 8.080 7.953 1.00 0.00 C ATOM 1275 C THR A 81 111.612 7.162 7.407 1.00 0.00 C ATOM 1276 O THR A 81 111.916 6.127 7.966 1.00 0.00 O ATOM 1277 CB THR A 81 111.191 9.233 8.716 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.697 9.285 10.046 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.905 10.556 8.007 1.00 0.00 C ATOM 0 H THR A 81 109.747 6.326 8.908 1.00 0.00 H new ATOM 0 HA THR A 81 109.930 8.469 7.124 1.00 0.00 H new ATOM 0 HB THR A 81 112.268 9.065 8.742 1.00 0.00 H new ATOM 0 HG1 THR A 81 109.866 9.804 10.066 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.382 11.371 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.300 10.518 6.992 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.829 10.724 7.971 1.00 0.00 H new ATOM 1287 N TRP A 82 112.219 7.562 6.323 1.00 0.00 N ATOM 1288 CA TRP A 82 113.318 6.746 5.733 1.00 0.00 C ATOM 1289 C TRP A 82 114.660 7.374 6.102 1.00 0.00 C ATOM 1290 O TRP A 82 114.810 8.580 6.106 1.00 0.00 O ATOM 1291 CB TRP A 82 113.196 6.711 4.207 1.00 0.00 C ATOM 1292 CG TRP A 82 111.783 6.442 3.819 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.843 7.389 3.621 1.00 0.00 C ATOM 1294 CD2 TRP A 82 111.138 5.163 3.566 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.655 6.777 3.277 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.786 5.401 3.226 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.591 3.831 3.604 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.913 4.352 2.931 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.717 2.774 3.307 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.380 3.034 2.972 1.00 0.00 C ATOM 0 H TRP A 82 112.000 8.421 5.819 1.00 0.00 H new ATOM 0 HA TRP A 82 113.251 5.730 6.123 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.524 7.661 3.785 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.848 5.939 3.799 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.996 8.454 3.716 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.787 7.278 3.084 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.618 3.621 3.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.884 4.557 2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 111.075 1.756 3.337 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.711 2.217 2.746 1.00 0.00 H new ATOM 1311 N SER A 83 115.640 6.570 6.409 1.00 0.00 N ATOM 1312 CA SER A 83 116.970 7.127 6.772 1.00 0.00 C ATOM 1313 C SER A 83 118.043 6.282 6.098 1.00 0.00 C ATOM 1314 O SER A 83 117.813 5.148 5.750 1.00 0.00 O ATOM 1315 CB SER A 83 117.152 7.076 8.289 1.00 0.00 C ATOM 1316 OG SER A 83 118.512 6.789 8.590 1.00 0.00 O ATOM 0 H SER A 83 115.576 5.552 6.424 1.00 0.00 H new ATOM 0 HA SER A 83 117.046 8.163 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.862 8.028 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 83 116.504 6.313 8.719 1.00 0.00 H new ATOM 0 HG SER A 83 118.629 6.741 9.562 1.00 0.00 H new ATOM 1322 N LEU A 84 119.211 6.807 5.890 1.00 0.00 N ATOM 1323 CA LEU A 84 120.255 5.989 5.239 1.00 0.00 C ATOM 1324 C LEU A 84 121.161 5.410 6.331 1.00 0.00 C ATOM 1325 O LEU A 84 121.651 6.118 7.188 1.00 0.00 O ATOM 1326 CB LEU A 84 121.054 6.868 4.265 1.00 0.00 C ATOM 1327 CG LEU A 84 122.549 6.592 4.409 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.863 5.179 3.912 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.337 7.611 3.583 1.00 0.00 C ATOM 0 H LEU A 84 119.485 7.757 6.140 1.00 0.00 H new ATOM 0 HA LEU A 84 119.812 5.171 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.737 6.669 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.851 7.920 4.463 1.00 0.00 H new ATOM 0 HG LEU A 84 122.832 6.676 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.931 4.986 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.303 4.453 4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.579 5.091 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.404 7.415 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.052 7.528 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.117 8.617 3.940 1.00 0.00 H new ATOM 1341 N GLU A 85 121.383 4.127 6.306 1.00 0.00 N ATOM 1342 CA GLU A 85 122.253 3.496 7.331 1.00 0.00 C ATOM 1343 C GLU A 85 123.206 2.538 6.629 1.00 0.00 C ATOM 1344 O GLU A 85 122.790 1.637 5.929 1.00 0.00 O ATOM 1345 CB GLU A 85 121.394 2.728 8.336 1.00 0.00 C ATOM 1346 CG GLU A 85 120.913 3.684 9.429 1.00 0.00 C ATOM 1347 CD GLU A 85 122.043 3.924 10.431 1.00 0.00 C ATOM 1348 OE1 GLU A 85 123.169 3.573 10.119 1.00 0.00 O ATOM 1349 OE2 GLU A 85 121.763 4.455 11.493 1.00 0.00 O ATOM 0 H GLU A 85 120.996 3.485 5.614 1.00 0.00 H new ATOM 0 HA GLU A 85 122.817 4.260 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.540 2.276 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.970 1.915 8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.598 4.629 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 85 120.045 3.265 9.937 1.00 0.00 H new ATOM 1356 N GLY A 86 124.482 2.727 6.789 1.00 0.00 N ATOM 1357 CA GLY A 86 125.443 1.827 6.102 1.00 0.00 C ATOM 1358 C GLY A 86 125.256 1.979 4.592 1.00 0.00 C ATOM 1359 O GLY A 86 125.579 3.000 4.019 1.00 0.00 O ATOM 0 H GLY A 86 124.900 3.461 7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.465 2.078 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.274 0.793 6.402 1.00 0.00 H new ATOM 1363 N ASN A 87 124.737 0.973 3.941 1.00 0.00 N ATOM 1364 CA ASN A 87 124.532 1.070 2.466 1.00 0.00 C ATOM 1365 C ASN A 87 123.075 0.770 2.102 1.00 0.00 C ATOM 1366 O ASN A 87 122.801 0.199 1.065 1.00 0.00 O ATOM 1367 CB ASN A 87 125.447 0.066 1.761 1.00 0.00 C ATOM 1368 CG ASN A 87 126.814 0.050 2.447 1.00 0.00 C ATOM 1369 OD1 ASN A 87 127.563 1.003 2.357 1.00 0.00 O ATOM 1370 ND2 ASN A 87 127.173 -0.999 3.135 1.00 0.00 N ATOM 0 H ASN A 87 124.447 0.091 4.364 1.00 0.00 H new ATOM 0 HA ASN A 87 124.771 2.084 2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 87 125.003 -0.929 1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 87 125.559 0.335 0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 87 128.082 -1.019 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 87 126.545 -1.799 3.211 1.00 0.00 H new ATOM 1377 N LYS A 88 122.129 1.135 2.929 1.00 0.00 N ATOM 1378 CA LYS A 88 120.713 0.839 2.585 1.00 0.00 C ATOM 1379 C LYS A 88 119.802 1.962 3.084 1.00 0.00 C ATOM 1380 O LYS A 88 120.142 2.697 3.990 1.00 0.00 O ATOM 1381 CB LYS A 88 120.306 -0.478 3.242 1.00 0.00 C ATOM 1382 CG LYS A 88 121.114 -0.677 4.524 1.00 0.00 C ATOM 1383 CD LYS A 88 120.325 -1.555 5.495 1.00 0.00 C ATOM 1384 CE LYS A 88 121.204 -1.912 6.696 1.00 0.00 C ATOM 1385 NZ LYS A 88 120.711 -3.176 7.313 1.00 0.00 N ATOM 0 H LYS A 88 122.276 1.619 3.815 1.00 0.00 H new ATOM 0 HA LYS A 88 120.614 0.761 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.240 -0.470 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.480 -1.308 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 88 122.072 -1.142 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 88 121.330 0.288 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 88 119.430 -1.031 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 88 119.993 -2.463 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.241 -2.029 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.183 -1.105 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 121.308 -3.420 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 119.728 -3.048 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 120.753 -3.944 6.612 1.00 0.00 H new ATOM 1399 N LEU A 89 118.637 2.088 2.505 1.00 0.00 N ATOM 1400 CA LEU A 89 117.693 3.149 2.950 1.00 0.00 C ATOM 1401 C LEU A 89 116.683 2.523 3.911 1.00 0.00 C ATOM 1402 O LEU A 89 115.854 1.724 3.522 1.00 0.00 O ATOM 1403 CB LEU A 89 116.965 3.733 1.735 1.00 0.00 C ATOM 1404 CG LEU A 89 117.644 5.035 1.305 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.343 5.306 -0.169 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.112 6.191 2.154 1.00 0.00 C ATOM 0 H LEU A 89 118.300 1.500 1.742 1.00 0.00 H new ATOM 0 HA LEU A 89 118.236 3.951 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.976 3.017 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.920 3.920 1.980 1.00 0.00 H new ATOM 0 HG LEU A 89 118.721 4.946 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.827 6.234 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.721 4.483 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.266 5.395 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.595 7.119 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.035 6.279 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.327 5.999 3.205 1.00 0.00 H new ATOM 1418 N ILE A 90 116.752 2.866 5.165 1.00 0.00 N ATOM 1419 CA ILE A 90 115.806 2.273 6.148 1.00 0.00 C ATOM 1420 C ILE A 90 114.449 2.959 6.060 1.00 0.00 C ATOM 1421 O ILE A 90 114.302 4.014 5.481 1.00 0.00 O ATOM 1422 CB ILE A 90 116.352 2.405 7.562 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.214 3.649 7.671 1.00 0.00 C ATOM 1424 CG2 ILE A 90 117.197 1.175 7.903 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.551 3.874 9.134 1.00 0.00 C ATOM 0 H ILE A 90 117.422 3.531 5.552 1.00 0.00 H new ATOM 0 HA ILE A 90 115.689 1.216 5.910 1.00 0.00 H new ATOM 0 HB ILE A 90 115.517 2.482 8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.126 3.530 7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.686 4.513 7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.587 1.271 8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.580 0.279 7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 90 118.027 1.097 7.200 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.171 4.765 9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.631 4.008 9.703 1.00 0.00 H new ATOM 0 HD13 ILE A 90 118.093 3.011 9.519 1.00 0.00 H new ATOM 1437 N GLY A 91 113.459 2.345 6.637 1.00 0.00 N ATOM 1438 CA GLY A 91 112.085 2.915 6.618 1.00 0.00 C ATOM 1439 C GLY A 91 111.383 2.536 7.921 1.00 0.00 C ATOM 1440 O GLY A 91 110.818 1.469 8.049 1.00 0.00 O ATOM 0 H GLY A 91 113.544 1.456 7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.126 3.999 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.528 2.532 5.763 1.00 0.00 H new ATOM 1444 N LYS A 92 111.419 3.397 8.890 1.00 0.00 N ATOM 1445 CA LYS A 92 110.757 3.082 10.183 1.00 0.00 C ATOM 1446 C LYS A 92 109.291 3.484 10.095 1.00 0.00 C ATOM 1447 O LYS A 92 108.961 4.643 10.181 1.00 0.00 O ATOM 1448 CB LYS A 92 111.437 3.860 11.313 1.00 0.00 C ATOM 1449 CG LYS A 92 112.584 3.029 11.890 1.00 0.00 C ATOM 1450 CD LYS A 92 113.370 3.872 12.896 1.00 0.00 C ATOM 1451 CE LYS A 92 114.205 2.954 13.791 1.00 0.00 C ATOM 1452 NZ LYS A 92 114.933 1.965 12.947 1.00 0.00 N ATOM 0 H LYS A 92 111.878 4.307 8.846 1.00 0.00 H new ATOM 0 HA LYS A 92 110.837 2.015 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.816 4.810 10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.714 4.092 12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 92 112.191 2.136 12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 92 113.242 2.692 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 92 114.019 4.573 12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.686 4.465 13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 92 114.914 3.543 14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 92 113.560 2.437 14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 115.746 1.589 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 114.293 1.185 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 115.270 2.430 12.080 1.00 0.00 H new ATOM 1466 N PHE A 93 108.414 2.536 9.912 1.00 0.00 N ATOM 1467 CA PHE A 93 106.966 2.862 9.803 1.00 0.00 C ATOM 1468 C PHE A 93 106.198 2.220 10.948 1.00 0.00 C ATOM 1469 O PHE A 93 106.554 1.174 11.450 1.00 0.00 O ATOM 1470 CB PHE A 93 106.418 2.326 8.473 1.00 0.00 C ATOM 1471 CG PHE A 93 106.663 3.313 7.350 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.209 4.575 7.614 1.00 0.00 C ATOM 1473 CD2 PHE A 93 106.337 2.957 6.035 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.429 5.478 6.567 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.557 3.861 4.988 1.00 0.00 C ATOM 1476 CZ PHE A 93 107.102 5.121 5.254 1.00 0.00 C ATOM 0 H PHE A 93 108.640 1.545 9.833 1.00 0.00 H new ATOM 0 HA PHE A 93 106.845 3.944 9.847 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.894 1.374 8.236 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.349 2.134 8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.461 4.852 8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.916 1.984 5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.851 6.451 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 93 106.306 3.585 3.975 1.00 0.00 H new ATOM 0 HZ PHE A 93 107.270 5.818 4.447 1.00 0.00 H new ATOM 1486 N LYS A 94 105.136 2.847 11.355 1.00 0.00 N ATOM 1487 CA LYS A 94 104.319 2.283 12.461 1.00 0.00 C ATOM 1488 C LYS A 94 102.840 2.553 12.191 1.00 0.00 C ATOM 1489 O LYS A 94 102.428 3.681 12.004 1.00 0.00 O ATOM 1490 CB LYS A 94 104.729 2.924 13.789 1.00 0.00 C ATOM 1491 CG LYS A 94 104.141 4.332 13.882 1.00 0.00 C ATOM 1492 CD LYS A 94 104.845 5.108 14.996 1.00 0.00 C ATOM 1493 CE LYS A 94 106.101 5.780 14.437 1.00 0.00 C ATOM 1494 NZ LYS A 94 107.070 6.023 15.545 1.00 0.00 N ATOM 0 H LYS A 94 104.796 3.728 10.969 1.00 0.00 H new ATOM 0 HA LYS A 94 104.485 1.207 12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.376 2.316 14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 94 105.816 2.967 13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 94 104.261 4.851 12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 94 103.071 4.278 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 94 104.173 5.859 15.411 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.112 4.434 15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 94 106.556 5.148 13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 94 105.839 6.722 13.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 107.924 6.480 15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 106.634 6.642 16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.329 5.117 15.985 1.00 0.00 H new ATOM 1508 N ARG A 95 102.037 1.523 12.164 1.00 0.00 N ATOM 1509 CA ARG A 95 100.587 1.723 11.904 1.00 0.00 C ATOM 1510 C ARG A 95 100.077 2.850 12.800 1.00 0.00 C ATOM 1511 O ARG A 95 100.072 2.741 14.008 1.00 0.00 O ATOM 1512 CB ARG A 95 99.824 0.431 12.218 1.00 0.00 C ATOM 1513 CG ARG A 95 99.687 -0.410 10.944 1.00 0.00 C ATOM 1514 CD ARG A 95 98.728 -1.574 11.203 1.00 0.00 C ATOM 1515 NE ARG A 95 97.427 -1.043 11.698 1.00 0.00 N ATOM 1516 CZ ARG A 95 96.568 -1.846 12.265 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.429 -1.381 12.700 1.00 0.00 N ATOM 1518 NH2 ARG A 95 96.848 -3.114 12.396 1.00 0.00 N ATOM 0 H ARG A 95 102.324 0.555 12.311 1.00 0.00 H new ATOM 0 HA ARG A 95 100.431 1.983 10.857 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.351 -0.137 12.985 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.838 0.667 12.617 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.315 0.207 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.662 -0.789 10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 95 98.575 -2.145 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.157 -2.257 11.936 1.00 0.00 H new ATOM 0 HE ARG A 95 97.208 -0.052 11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.210 -0.390 12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 95 94.758 -2.008 13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 95 97.738 -3.478 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.177 -3.741 12.839 1.00 0.00 H new ATOM 1532 N THR A 96 99.656 3.936 12.221 1.00 0.00 N ATOM 1533 CA THR A 96 99.157 5.069 13.047 1.00 0.00 C ATOM 1534 C THR A 96 97.828 4.689 13.669 1.00 0.00 C ATOM 1535 O THR A 96 97.271 5.389 14.493 1.00 0.00 O ATOM 1536 CB THR A 96 98.978 6.295 12.158 1.00 0.00 C ATOM 1537 OG1 THR A 96 99.157 5.920 10.799 1.00 0.00 O ATOM 1538 CG2 THR A 96 100.008 7.352 12.536 1.00 0.00 C ATOM 0 H THR A 96 99.635 4.089 11.213 1.00 0.00 H new ATOM 0 HA THR A 96 99.873 5.295 13.837 1.00 0.00 H new ATOM 0 HB THR A 96 97.976 6.703 12.294 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.902 6.428 10.415 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.880 8.228 11.901 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.871 7.637 13.579 1.00 0.00 H new ATOM 0 HG23 THR A 96 101.011 6.948 12.399 1.00 0.00 H new ATOM 1546 N ASP A 97 97.335 3.583 13.264 1.00 0.00 N ATOM 1547 CA ASP A 97 96.034 3.087 13.787 1.00 0.00 C ATOM 1548 C ASP A 97 96.270 2.227 15.030 1.00 0.00 C ATOM 1549 O ASP A 97 95.546 2.312 16.002 1.00 0.00 O ATOM 1550 CB ASP A 97 95.337 2.250 12.712 1.00 0.00 C ATOM 1551 CG ASP A 97 94.907 3.156 11.557 1.00 0.00 C ATOM 1552 OD1 ASP A 97 94.563 2.629 10.513 1.00 0.00 O ATOM 1553 OD2 ASP A 97 94.930 4.363 11.738 1.00 0.00 O ATOM 0 H ASP A 97 97.778 2.975 12.575 1.00 0.00 H new ATOM 0 HA ASP A 97 95.405 3.937 14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 97 96.010 1.474 12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 97 94.468 1.746 13.135 1.00 0.00 H new ATOM 1558 N ASN A 98 97.276 1.396 15.004 1.00 0.00 N ATOM 1559 CA ASN A 98 97.557 0.526 16.179 1.00 0.00 C ATOM 1560 C ASN A 98 99.047 0.588 16.530 1.00 0.00 C ATOM 1561 O ASN A 98 99.531 -0.166 17.350 1.00 0.00 O ATOM 1562 CB ASN A 98 97.171 -0.918 15.850 1.00 0.00 C ATOM 1563 CG ASN A 98 95.681 -1.125 16.129 1.00 0.00 C ATOM 1564 OD1 ASN A 98 94.930 -0.173 16.223 1.00 0.00 O ATOM 1565 ND2 ASN A 98 95.217 -2.337 16.269 1.00 0.00 N ATOM 0 H ASN A 98 97.916 1.283 14.218 1.00 0.00 H new ATOM 0 HA ASN A 98 96.973 0.876 17.030 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.389 -1.135 14.804 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.763 -1.609 16.449 1.00 0.00 H new ATOM 0 HD21 ASN A 98 94.225 -2.485 16.457 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.846 -3.136 16.190 1.00 0.00 H new ATOM 1572 N GLY A 99 99.779 1.476 15.917 1.00 0.00 N ATOM 1573 CA GLY A 99 101.236 1.578 16.221 1.00 0.00 C ATOM 1574 C GLY A 99 101.852 0.178 16.234 1.00 0.00 C ATOM 1575 O GLY A 99 102.649 -0.152 17.090 1.00 0.00 O ATOM 0 H GLY A 99 99.433 2.135 15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.732 2.198 15.474 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.384 2.061 17.187 1.00 0.00 H new ATOM 1579 N ASN A 100 101.489 -0.649 15.292 1.00 0.00 N ATOM 1580 CA ASN A 100 102.054 -2.029 15.252 1.00 0.00 C ATOM 1581 C ASN A 100 103.486 -1.980 14.728 1.00 0.00 C ATOM 1582 O ASN A 100 104.041 -2.973 14.307 1.00 0.00 O ATOM 1583 CB ASN A 100 101.204 -2.899 14.332 1.00 0.00 C ATOM 1584 CG ASN A 100 99.945 -3.353 15.072 1.00 0.00 C ATOM 1585 OD1 ASN A 100 98.852 -2.936 14.747 1.00 0.00 O ATOM 1586 ND2 ASN A 100 100.053 -4.196 16.063 1.00 0.00 N ATOM 0 H ASN A 100 100.826 -0.430 14.548 1.00 0.00 H new ATOM 0 HA ASN A 100 102.051 -2.451 16.257 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.930 -2.340 13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.777 -3.766 14.003 1.00 0.00 H new ATOM 0 HD21 ASN A 100 99.219 -4.504 16.564 1.00 0.00 H new ATOM 0 HD22 ASN A 100 100.971 -4.547 16.336 1.00 0.00 H new ATOM 1593 N GLU A 101 104.073 -0.824 14.771 1.00 0.00 N ATOM 1594 CA GLU A 101 105.482 -0.635 14.300 1.00 0.00 C ATOM 1595 C GLU A 101 105.769 -1.467 13.040 1.00 0.00 C ATOM 1596 O GLU A 101 105.168 -2.491 12.793 1.00 0.00 O ATOM 1597 CB GLU A 101 106.453 -1.034 15.418 1.00 0.00 C ATOM 1598 CG GLU A 101 106.560 -2.556 15.509 1.00 0.00 C ATOM 1599 CD GLU A 101 107.576 -2.934 16.588 1.00 0.00 C ATOM 1600 OE1 GLU A 101 107.341 -3.910 17.280 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.572 -2.238 16.704 1.00 0.00 O ATOM 0 H GLU A 101 103.630 0.025 15.121 1.00 0.00 H new ATOM 0 HA GLU A 101 105.619 0.416 14.047 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.436 -0.604 15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.109 -0.629 16.370 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.587 -2.986 15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.865 -2.968 14.547 1.00 0.00 H new ATOM 1608 N LEU A 102 106.712 -1.028 12.252 1.00 0.00 N ATOM 1609 CA LEU A 102 107.088 -1.769 11.018 1.00 0.00 C ATOM 1610 C LEU A 102 108.545 -1.437 10.701 1.00 0.00 C ATOM 1611 O LEU A 102 108.926 -0.284 10.657 1.00 0.00 O ATOM 1612 CB LEU A 102 106.182 -1.341 9.851 1.00 0.00 C ATOM 1613 CG LEU A 102 106.824 -1.731 8.512 1.00 0.00 C ATOM 1614 CD1 LEU A 102 106.944 -3.257 8.416 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.955 -1.214 7.361 1.00 0.00 C ATOM 0 H LEU A 102 107.245 -0.174 12.415 1.00 0.00 H new ATOM 0 HA LEU A 102 106.967 -2.842 11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 102 105.205 -1.815 9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.018 -0.264 9.884 1.00 0.00 H new ATOM 0 HG LEU A 102 107.818 -1.289 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 102 107.400 -3.527 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.565 -3.625 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 102 105.953 -3.705 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 102 106.410 -1.490 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 102 104.960 -1.655 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 102 105.876 -0.129 7.424 1.00 0.00 H new ATOM 1627 N ASN A 103 109.368 -2.427 10.487 1.00 0.00 N ATOM 1628 CA ASN A 103 110.804 -2.140 10.187 1.00 0.00 C ATOM 1629 C ASN A 103 111.117 -2.569 8.756 1.00 0.00 C ATOM 1630 O ASN A 103 111.159 -3.741 8.452 1.00 0.00 O ATOM 1631 CB ASN A 103 111.698 -2.906 11.166 1.00 0.00 C ATOM 1632 CG ASN A 103 110.910 -3.225 12.437 1.00 0.00 C ATOM 1633 OD1 ASN A 103 111.107 -4.258 13.045 1.00 0.00 O ATOM 1634 ND2 ASN A 103 110.018 -2.375 12.866 1.00 0.00 N ATOM 0 H ASN A 103 109.114 -3.415 10.506 1.00 0.00 H new ATOM 0 HA ASN A 103 110.992 -1.072 10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 103 112.053 -3.828 10.705 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.579 -2.312 11.411 1.00 0.00 H new ATOM 0 HD21 ASN A 103 109.486 -2.578 13.712 1.00 0.00 H new ATOM 0 HD22 ASN A 103 109.853 -1.508 12.355 1.00 0.00 H new ATOM 1641 N THR A 104 111.318 -1.633 7.868 1.00 0.00 N ATOM 1642 CA THR A 104 111.594 -2.009 6.454 1.00 0.00 C ATOM 1643 C THR A 104 112.918 -1.425 5.963 1.00 0.00 C ATOM 1644 O THR A 104 113.586 -0.673 6.646 1.00 0.00 O ATOM 1645 CB THR A 104 110.467 -1.471 5.575 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.804 -1.647 4.207 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.270 0.017 5.867 1.00 0.00 C ATOM 0 H THR A 104 111.303 -0.631 8.060 1.00 0.00 H new ATOM 0 HA THR A 104 111.657 -3.096 6.396 1.00 0.00 H new ATOM 0 HB THR A 104 109.545 -2.012 5.789 1.00 0.00 H new ATOM 0 HG1 THR A 104 111.017 -2.589 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.466 0.407 5.242 1.00 0.00 H new ATOM 0 HG22 THR A 104 110.011 0.150 6.917 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.192 0.556 5.650 1.00 0.00 H new ATOM 1655 N VAL A 105 113.282 -1.775 4.757 1.00 0.00 N ATOM 1656 CA VAL A 105 114.544 -1.265 4.158 1.00 0.00 C ATOM 1657 C VAL A 105 114.328 -1.063 2.656 1.00 0.00 C ATOM 1658 O VAL A 105 113.447 -1.657 2.067 1.00 0.00 O ATOM 1659 CB VAL A 105 115.668 -2.279 4.383 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.984 -1.714 3.847 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.807 -2.560 5.881 1.00 0.00 C ATOM 0 H VAL A 105 112.748 -2.402 4.155 1.00 0.00 H new ATOM 0 HA VAL A 105 114.820 -0.320 4.625 1.00 0.00 H new ATOM 0 HB VAL A 105 115.431 -3.204 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.783 -2.438 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.886 -1.513 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.222 -0.788 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.607 -3.282 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 105 116.043 -1.634 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.870 -2.965 6.264 1.00 0.00 H new ATOM 1671 N ARG A 106 115.113 -0.226 2.031 1.00 0.00 N ATOM 1672 CA ARG A 106 114.932 0.013 0.569 1.00 0.00 C ATOM 1673 C ARG A 106 116.260 -0.207 -0.162 1.00 0.00 C ATOM 1674 O ARG A 106 117.305 0.235 0.277 1.00 0.00 O ATOM 1675 CB ARG A 106 114.453 1.453 0.355 1.00 0.00 C ATOM 1676 CG ARG A 106 114.778 1.907 -1.070 1.00 0.00 C ATOM 1677 CD ARG A 106 114.046 3.218 -1.364 1.00 0.00 C ATOM 1678 NE ARG A 106 112.634 2.925 -1.739 1.00 0.00 N ATOM 1679 CZ ARG A 106 111.734 3.868 -1.674 1.00 0.00 C ATOM 1680 NH1 ARG A 106 110.496 3.610 -1.998 1.00 0.00 N ATOM 1681 NH2 ARG A 106 112.070 5.066 -1.283 1.00 0.00 N ATOM 0 H ARG A 106 115.869 0.301 2.468 1.00 0.00 H new ATOM 0 HA ARG A 106 114.193 -0.683 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 106 113.379 1.517 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.933 2.116 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 106 115.853 2.045 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 106 114.477 1.141 -1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 106 114.074 3.867 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 106 114.545 3.752 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 106 112.371 1.989 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 106 110.233 2.672 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 106 109.792 4.346 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 106 113.037 5.267 -1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 106 111.366 5.802 -1.233 1.00 0.00 H new ATOM 1695 N GLU A 107 116.225 -0.886 -1.280 1.00 0.00 N ATOM 1696 CA GLU A 107 117.477 -1.136 -2.050 1.00 0.00 C ATOM 1697 C GLU A 107 117.192 -0.954 -3.542 1.00 0.00 C ATOM 1698 O GLU A 107 116.060 -1.040 -3.978 1.00 0.00 O ATOM 1699 CB GLU A 107 117.965 -2.562 -1.789 1.00 0.00 C ATOM 1700 CG GLU A 107 118.807 -2.591 -0.512 1.00 0.00 C ATOM 1701 CD GLU A 107 119.470 -3.961 -0.368 1.00 0.00 C ATOM 1702 OE1 GLU A 107 118.847 -4.842 0.201 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.590 -4.108 -0.830 1.00 0.00 O ATOM 0 H GLU A 107 115.379 -1.279 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 107 118.248 -0.432 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.114 -3.236 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.556 -2.915 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.566 -1.810 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.179 -2.386 0.355 1.00 0.00 H new ATOM 1710 N ILE A 108 118.203 -0.702 -4.333 1.00 0.00 N ATOM 1711 CA ILE A 108 117.987 -0.517 -5.781 1.00 0.00 C ATOM 1712 C ILE A 108 118.828 -1.540 -6.527 1.00 0.00 C ATOM 1713 O ILE A 108 119.918 -1.254 -6.983 1.00 0.00 O ATOM 1714 CB ILE A 108 118.436 0.882 -6.180 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.799 1.921 -5.243 1.00 0.00 C ATOM 1716 CG2 ILE A 108 118.015 1.135 -7.622 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.570 2.548 -5.907 1.00 0.00 C ATOM 0 H ILE A 108 119.172 -0.618 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 108 116.932 -0.645 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 108 119.520 0.967 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 108 117.512 1.447 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.526 2.696 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.330 2.134 -7.923 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.483 0.396 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.931 1.056 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.128 3.282 -5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 108 116.868 3.039 -6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.839 1.770 -6.127 1.00 0.00 H new ATOM 1729 N ILE A 109 118.338 -2.732 -6.649 1.00 0.00 N ATOM 1730 CA ILE A 109 119.120 -3.774 -7.361 1.00 0.00 C ATOM 1731 C ILE A 109 119.314 -3.341 -8.812 1.00 0.00 C ATOM 1732 O ILE A 109 118.499 -3.611 -9.670 1.00 0.00 O ATOM 1733 CB ILE A 109 118.372 -5.110 -7.309 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.622 -5.774 -5.952 1.00 0.00 C ATOM 1735 CG2 ILE A 109 118.879 -6.028 -8.428 1.00 0.00 C ATOM 1736 CD1 ILE A 109 117.775 -7.044 -5.836 1.00 0.00 C ATOM 0 H ILE A 109 117.432 -3.033 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 109 120.092 -3.898 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 109 117.304 -4.936 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.679 -6.019 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.372 -5.083 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.346 -6.978 -8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.706 -5.554 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 109 119.946 -6.206 -8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 109 117.955 -7.514 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 109 116.719 -6.787 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.047 -7.737 -6.633 1.00 0.00 H new ATOM 1748 N GLY A 110 120.396 -2.673 -9.086 1.00 0.00 N ATOM 1749 CA GLY A 110 120.662 -2.220 -10.481 1.00 0.00 C ATOM 1750 C GLY A 110 119.514 -1.332 -10.969 1.00 0.00 C ATOM 1751 O GLY A 110 119.602 -0.119 -10.938 1.00 0.00 O ATOM 0 H GLY A 110 121.111 -2.419 -8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.602 -1.669 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 110 120.771 -3.083 -11.138 1.00 0.00 H new ATOM 1755 N ASP A 111 118.442 -1.922 -11.429 1.00 0.00 N ATOM 1756 CA ASP A 111 117.296 -1.109 -11.928 1.00 0.00 C ATOM 1757 C ASP A 111 115.993 -1.605 -11.302 1.00 0.00 C ATOM 1758 O ASP A 111 114.931 -1.495 -11.882 1.00 0.00 O ATOM 1759 CB ASP A 111 117.210 -1.226 -13.451 1.00 0.00 C ATOM 1760 CG ASP A 111 118.511 -0.717 -14.076 1.00 0.00 C ATOM 1761 OD1 ASP A 111 118.932 -1.290 -15.066 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.062 0.238 -13.554 1.00 0.00 O ATOM 0 H ASP A 111 118.311 -2.932 -11.480 1.00 0.00 H new ATOM 0 HA ASP A 111 117.451 -0.066 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 111 117.038 -2.263 -13.738 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.364 -0.648 -13.824 1.00 0.00 H new ATOM 1767 N GLU A 112 116.065 -2.147 -10.120 1.00 0.00 N ATOM 1768 CA GLU A 112 114.835 -2.648 -9.446 1.00 0.00 C ATOM 1769 C GLU A 112 114.799 -2.107 -8.017 1.00 0.00 C ATOM 1770 O GLU A 112 115.812 -2.052 -7.348 1.00 0.00 O ATOM 1771 CB GLU A 112 114.858 -4.179 -9.418 1.00 0.00 C ATOM 1772 CG GLU A 112 115.550 -4.702 -10.678 1.00 0.00 C ATOM 1773 CD GLU A 112 115.506 -6.232 -10.686 1.00 0.00 C ATOM 1774 OE1 GLU A 112 116.511 -6.831 -11.033 1.00 0.00 O ATOM 1775 OE2 GLU A 112 114.469 -6.777 -10.347 1.00 0.00 O ATOM 0 H GLU A 112 116.927 -2.265 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 112 113.950 -2.313 -9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.384 -4.529 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 112 113.841 -4.568 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.057 -4.309 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 112 116.584 -4.357 -10.708 1.00 0.00 H new ATOM 1782 N LEU A 113 113.651 -1.707 -7.532 1.00 0.00 N ATOM 1783 CA LEU A 113 113.599 -1.176 -6.137 1.00 0.00 C ATOM 1784 C LEU A 113 113.113 -2.278 -5.203 1.00 0.00 C ATOM 1785 O LEU A 113 111.976 -2.695 -5.262 1.00 0.00 O ATOM 1786 CB LEU A 113 112.644 0.016 -6.065 1.00 0.00 C ATOM 1787 CG LEU A 113 112.687 0.632 -4.664 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.878 1.588 -4.560 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.391 1.406 -4.412 1.00 0.00 C ATOM 0 H LEU A 113 112.762 -1.724 -8.032 1.00 0.00 H new ATOM 0 HA LEU A 113 114.594 -0.848 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.923 0.762 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.629 -0.305 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 113 112.792 -0.159 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.907 2.026 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.802 1.039 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.774 2.381 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.418 1.846 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.289 2.197 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.541 0.727 -4.486 1.00 0.00 H new ATOM 1801 N VAL A 114 113.966 -2.753 -4.339 1.00 0.00 N ATOM 1802 CA VAL A 114 113.548 -3.831 -3.407 1.00 0.00 C ATOM 1803 C VAL A 114 113.210 -3.226 -2.049 1.00 0.00 C ATOM 1804 O VAL A 114 114.073 -2.748 -1.339 1.00 0.00 O ATOM 1805 CB VAL A 114 114.685 -4.842 -3.248 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.183 -6.058 -2.469 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.172 -5.285 -4.631 1.00 0.00 C ATOM 0 H VAL A 114 114.932 -2.441 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 114 112.670 -4.336 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 114 115.509 -4.379 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 114 114.994 -6.778 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.838 -5.742 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.359 -6.522 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 114 115.982 -6.005 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.349 -5.747 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.532 -4.418 -5.185 1.00 0.00 H new ATOM 1817 N GLN A 115 111.961 -3.248 -1.679 1.00 0.00 N ATOM 1818 CA GLN A 115 111.565 -2.683 -0.363 1.00 0.00 C ATOM 1819 C GLN A 115 111.122 -3.830 0.539 1.00 0.00 C ATOM 1820 O GLN A 115 110.065 -4.401 0.358 1.00 0.00 O ATOM 1821 CB GLN A 115 110.409 -1.699 -0.550 1.00 0.00 C ATOM 1822 CG GLN A 115 110.384 -0.711 0.618 1.00 0.00 C ATOM 1823 CD GLN A 115 109.325 0.361 0.360 1.00 0.00 C ATOM 1824 OE1 GLN A 115 109.542 1.524 0.635 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.178 0.017 -0.159 1.00 0.00 N ATOM 0 H GLN A 115 111.197 -3.634 -2.233 1.00 0.00 H new ATOM 0 HA GLN A 115 112.406 -2.155 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.524 -1.162 -1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.463 -2.239 -0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 115 110.165 -1.237 1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 115 111.364 -0.248 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.995 -0.959 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.464 0.725 -0.333 1.00 0.00 H new ATOM 1834 N THR A 116 111.924 -4.182 1.505 1.00 0.00 N ATOM 1835 CA THR A 116 111.543 -5.299 2.406 1.00 0.00 C ATOM 1836 C THR A 116 111.039 -4.736 3.725 1.00 0.00 C ATOM 1837 O THR A 116 111.548 -3.755 4.226 1.00 0.00 O ATOM 1838 CB THR A 116 112.757 -6.189 2.671 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.650 -6.114 1.570 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.304 -7.636 2.871 1.00 0.00 C ATOM 0 H THR A 116 112.823 -3.745 1.707 1.00 0.00 H new ATOM 0 HA THR A 116 110.758 -5.889 1.932 1.00 0.00 H new ATOM 0 HB THR A 116 113.265 -5.846 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.429 -6.683 1.741 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.173 -8.267 3.060 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.625 -7.690 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.791 -7.984 1.974 1.00 0.00 H new ATOM 1848 N TYR A 117 110.055 -5.360 4.299 1.00 0.00 N ATOM 1849 CA TYR A 117 109.529 -4.870 5.602 1.00 0.00 C ATOM 1850 C TYR A 117 109.510 -6.004 6.611 1.00 0.00 C ATOM 1851 O TYR A 117 109.305 -7.152 6.280 1.00 0.00 O ATOM 1852 CB TYR A 117 108.107 -4.316 5.462 1.00 0.00 C ATOM 1853 CG TYR A 117 107.844 -3.920 4.043 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.831 -4.896 3.056 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.604 -2.581 3.720 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.577 -4.542 1.727 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.349 -2.220 2.395 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.335 -3.202 1.395 1.00 0.00 C ATOM 1859 OH TYR A 117 107.084 -2.850 0.084 1.00 0.00 O ATOM 0 H TYR A 117 109.591 -6.188 3.925 1.00 0.00 H new ATOM 0 HA TYR A 117 110.186 -4.069 5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.383 -5.068 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.978 -3.455 6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.017 -5.928 3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.616 -1.827 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.567 -5.300 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 117 107.163 -1.187 2.142 1.00 0.00 H new ATOM 0 HH TYR A 117 106.484 -2.075 0.062 1.00 0.00 H new ATOM 1869 N VAL A 118 109.695 -5.665 7.842 1.00 0.00 N ATOM 1870 CA VAL A 118 109.668 -6.680 8.926 1.00 0.00 C ATOM 1871 C VAL A 118 108.453 -6.419 9.780 1.00 0.00 C ATOM 1872 O VAL A 118 108.022 -5.293 9.945 1.00 0.00 O ATOM 1873 CB VAL A 118 110.902 -6.574 9.817 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.996 -7.816 10.709 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.160 -6.459 8.959 1.00 0.00 C ATOM 0 H VAL A 118 109.868 -4.710 8.156 1.00 0.00 H new ATOM 0 HA VAL A 118 109.645 -7.672 8.475 1.00 0.00 H new ATOM 0 HB VAL A 118 110.818 -5.684 10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.877 -7.741 11.346 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.104 -7.885 11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.074 -8.707 10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 118 113.035 -6.384 9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.251 -7.342 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 118 112.093 -5.569 8.333 1.00 0.00 H new ATOM 1885 N TYR A 119 107.897 -7.444 10.323 1.00 0.00 N ATOM 1886 CA TYR A 119 106.697 -7.252 11.167 1.00 0.00 C ATOM 1887 C TYR A 119 106.700 -8.230 12.343 1.00 0.00 C ATOM 1888 O TYR A 119 106.523 -9.422 12.186 1.00 0.00 O ATOM 1889 CB TYR A 119 105.450 -7.464 10.313 1.00 0.00 C ATOM 1890 CG TYR A 119 104.387 -6.473 10.711 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.613 -6.718 11.845 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.161 -5.326 9.940 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.606 -5.819 12.214 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.159 -4.422 10.311 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.380 -4.670 11.446 1.00 0.00 C ATOM 1896 OH TYR A 119 101.386 -3.783 11.805 1.00 0.00 O ATOM 0 H TYR A 119 108.216 -8.408 10.223 1.00 0.00 H new ATOM 0 HA TYR A 119 106.702 -6.239 11.570 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.696 -7.344 9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.079 -8.481 10.440 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.791 -7.602 12.439 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.759 -5.139 9.060 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.004 -6.011 13.090 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.987 -3.534 9.721 1.00 0.00 H new ATOM 0 HH TYR A 119 101.364 -3.040 11.166 1.00 0.00 H new ATOM 1906 N GLU A 120 106.886 -7.710 13.520 1.00 0.00 N ATOM 1907 CA GLU A 120 106.886 -8.555 14.751 1.00 0.00 C ATOM 1908 C GLU A 120 107.801 -9.760 14.585 1.00 0.00 C ATOM 1909 O GLU A 120 107.716 -10.723 15.322 1.00 0.00 O ATOM 1910 CB GLU A 120 105.462 -9.030 15.044 1.00 0.00 C ATOM 1911 CG GLU A 120 104.595 -7.834 15.440 1.00 0.00 C ATOM 1912 CD GLU A 120 103.118 -8.225 15.363 1.00 0.00 C ATOM 1913 OE1 GLU A 120 102.839 -9.412 15.378 1.00 0.00 O ATOM 1914 OE2 GLU A 120 102.291 -7.331 15.292 1.00 0.00 O ATOM 0 H GLU A 120 107.041 -6.716 13.688 1.00 0.00 H new ATOM 0 HA GLU A 120 107.256 -7.954 15.582 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.043 -9.521 14.165 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.471 -9.767 15.847 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.844 -7.510 16.451 1.00 0.00 H new ATOM 0 HG3 GLU A 120 104.794 -6.992 14.777 1.00 0.00 H new ATOM 1921 N GLY A 121 108.679 -9.715 13.636 1.00 0.00 N ATOM 1922 CA GLY A 121 109.610 -10.859 13.430 1.00 0.00 C ATOM 1923 C GLY A 121 109.279 -11.537 12.112 1.00 0.00 C ATOM 1924 O GLY A 121 109.516 -12.715 11.927 1.00 0.00 O ATOM 0 H GLY A 121 108.798 -8.936 12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.642 -10.508 13.424 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.520 -11.570 14.252 1.00 0.00 H new ATOM 1928 N VAL A 122 108.749 -10.796 11.183 1.00 0.00 N ATOM 1929 CA VAL A 122 108.418 -11.374 9.867 1.00 0.00 C ATOM 1930 C VAL A 122 109.155 -10.573 8.827 1.00 0.00 C ATOM 1931 O VAL A 122 109.825 -9.612 9.139 1.00 0.00 O ATOM 1932 CB VAL A 122 106.916 -11.306 9.608 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.561 -10.027 8.849 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.490 -12.523 8.788 1.00 0.00 C ATOM 0 H VAL A 122 108.531 -9.805 11.286 1.00 0.00 H new ATOM 0 HA VAL A 122 108.711 -12.423 9.833 1.00 0.00 H new ATOM 0 HB VAL A 122 106.392 -11.301 10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.486 -9.995 8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.858 -9.160 9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.086 -10.013 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.417 -12.478 8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.024 -12.527 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.724 -13.433 9.340 1.00 0.00 H new ATOM 1944 N GLU A 123 109.048 -10.949 7.603 1.00 0.00 N ATOM 1945 CA GLU A 123 109.769 -10.176 6.565 1.00 0.00 C ATOM 1946 C GLU A 123 109.089 -10.320 5.201 1.00 0.00 C ATOM 1947 O GLU A 123 109.037 -11.391 4.629 1.00 0.00 O ATOM 1948 CB GLU A 123 111.215 -10.678 6.471 1.00 0.00 C ATOM 1949 CG GLU A 123 112.150 -9.706 7.197 1.00 0.00 C ATOM 1950 CD GLU A 123 113.601 -10.134 6.979 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.437 -9.262 6.806 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.854 -11.327 6.989 1.00 0.00 O ATOM 0 H GLU A 123 108.503 -11.745 7.270 1.00 0.00 H new ATOM 0 HA GLU A 123 109.756 -9.123 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.294 -11.671 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.511 -10.769 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.999 -8.693 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.920 -9.691 8.262 1.00 0.00 H new ATOM 1959 N ALA A 124 108.598 -9.237 4.665 1.00 0.00 N ATOM 1960 CA ALA A 124 107.952 -9.283 3.323 1.00 0.00 C ATOM 1961 C ALA A 124 108.856 -8.546 2.335 1.00 0.00 C ATOM 1962 O ALA A 124 109.621 -7.685 2.720 1.00 0.00 O ATOM 1963 CB ALA A 124 106.579 -8.608 3.380 1.00 0.00 C ATOM 0 H ALA A 124 108.617 -8.316 5.102 1.00 0.00 H new ATOM 0 HA ALA A 124 107.813 -10.317 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.114 -8.646 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.947 -9.128 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.697 -7.568 3.686 1.00 0.00 H new ATOM 1969 N LYS A 125 108.799 -8.875 1.071 1.00 0.00 N ATOM 1970 CA LYS A 125 109.686 -8.180 0.097 1.00 0.00 C ATOM 1971 C LYS A 125 108.907 -7.748 -1.144 1.00 0.00 C ATOM 1972 O LYS A 125 108.086 -8.474 -1.669 1.00 0.00 O ATOM 1973 CB LYS A 125 110.816 -9.121 -0.321 1.00 0.00 C ATOM 1974 CG LYS A 125 111.989 -8.304 -0.868 1.00 0.00 C ATOM 1975 CD LYS A 125 113.219 -9.204 -1.004 1.00 0.00 C ATOM 1976 CE LYS A 125 112.875 -10.415 -1.874 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.104 -10.890 -2.571 1.00 0.00 N ATOM 0 H LYS A 125 108.184 -9.586 0.676 1.00 0.00 H new ATOM 0 HA LYS A 125 110.094 -7.291 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.141 -9.717 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.460 -9.818 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.728 -7.878 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.207 -7.470 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.043 -8.646 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.552 -9.533 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.462 -11.213 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 125 112.111 -10.147 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 113.871 -11.713 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 114.480 -10.128 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.820 -11.161 -1.867 1.00 0.00 H new ATOM 1991 N ARG A 126 109.182 -6.566 -1.624 1.00 0.00 N ATOM 1992 CA ARG A 126 108.491 -6.059 -2.845 1.00 0.00 C ATOM 1993 C ARG A 126 109.550 -5.478 -3.788 1.00 0.00 C ATOM 1994 O ARG A 126 110.285 -4.583 -3.420 1.00 0.00 O ATOM 1995 CB ARG A 126 107.490 -4.969 -2.450 1.00 0.00 C ATOM 1996 CG ARG A 126 106.078 -5.559 -2.405 1.00 0.00 C ATOM 1997 CD ARG A 126 105.076 -4.458 -2.051 1.00 0.00 C ATOM 1998 NE ARG A 126 105.208 -4.112 -0.608 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.234 -3.501 0.009 1.00 0.00 C ATOM 2000 NH1 ARG A 126 104.350 -3.197 1.273 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.143 -3.194 -0.638 1.00 0.00 N ATOM 0 H ARG A 126 109.862 -5.923 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 126 107.952 -6.867 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.753 -4.555 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.529 -4.148 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.825 -5.999 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.030 -6.360 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.256 -3.576 -2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.061 -4.793 -2.264 1.00 0.00 H new ATOM 0 HE ARG A 126 106.060 -4.353 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.202 -3.437 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.588 -2.719 1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.052 -3.432 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.381 -2.716 -0.156 1.00 0.00 H new ATOM 2015 N ILE A 127 109.661 -5.990 -4.987 1.00 0.00 N ATOM 2016 CA ILE A 127 110.705 -5.468 -5.917 1.00 0.00 C ATOM 2017 C ILE A 127 110.074 -4.779 -7.128 1.00 0.00 C ATOM 2018 O ILE A 127 109.302 -5.365 -7.861 1.00 0.00 O ATOM 2019 CB ILE A 127 111.560 -6.635 -6.406 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.124 -7.403 -5.202 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.709 -6.105 -7.273 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.941 -8.905 -5.432 1.00 0.00 C ATOM 0 H ILE A 127 109.079 -6.740 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 127 111.312 -4.739 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 127 110.945 -7.309 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.180 -7.169 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.613 -7.098 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.318 -6.940 -7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.301 -5.571 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.326 -5.427 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.340 -9.455 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.880 -9.129 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.472 -9.202 -6.336 1.00 0.00 H new ATOM 2034 N PHE A 128 110.425 -3.542 -7.355 1.00 0.00 N ATOM 2035 CA PHE A 128 109.876 -2.809 -8.534 1.00 0.00 C ATOM 2036 C PHE A 128 110.910 -2.835 -9.663 1.00 0.00 C ATOM 2037 O PHE A 128 112.009 -3.320 -9.498 1.00 0.00 O ATOM 2038 CB PHE A 128 109.585 -1.345 -8.161 1.00 0.00 C ATOM 2039 CG PHE A 128 108.788 -1.269 -6.883 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.044 -2.366 -6.472 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.787 -0.097 -6.117 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.290 -2.310 -5.295 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.037 -0.034 -4.935 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.287 -1.142 -4.526 1.00 0.00 C ATOM 0 H PHE A 128 111.069 -3.006 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 128 108.951 -3.289 -8.853 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.522 -0.801 -8.044 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.035 -0.861 -8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.047 -3.269 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.364 0.758 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.712 -3.166 -4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.038 0.868 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.706 -1.095 -3.617 1.00 0.00 H new ATOM 2054 N LYS A 129 110.562 -2.307 -10.806 1.00 0.00 N ATOM 2055 CA LYS A 129 111.514 -2.292 -11.952 1.00 0.00 C ATOM 2056 C LYS A 129 110.998 -1.326 -13.021 1.00 0.00 C ATOM 2057 O LYS A 129 109.830 -0.993 -13.056 1.00 0.00 O ATOM 2058 CB LYS A 129 111.627 -3.697 -12.546 1.00 0.00 C ATOM 2059 CG LYS A 129 112.380 -3.632 -13.877 1.00 0.00 C ATOM 2060 CD LYS A 129 113.036 -4.985 -14.160 1.00 0.00 C ATOM 2061 CE LYS A 129 113.393 -5.078 -15.645 1.00 0.00 C ATOM 2062 NZ LYS A 129 114.011 -6.405 -15.925 1.00 0.00 N ATOM 0 H LYS A 129 109.654 -1.883 -10.995 1.00 0.00 H new ATOM 0 HA LYS A 129 112.496 -1.968 -11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 129 112.150 -4.355 -11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.634 -4.119 -12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 129 111.693 -3.373 -14.683 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.138 -2.849 -13.840 1.00 0.00 H new ATOM 0 HD2 LYS A 129 113.933 -5.101 -13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.359 -5.794 -13.886 1.00 0.00 H new ATOM 0 HE2 LYS A 129 112.499 -4.946 -16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 129 114.084 -4.279 -15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 114.254 -6.469 -16.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.873 -6.514 -15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 113.338 -7.160 -15.683 1.00 0.00 H new ATOM 2076 N LYS A 130 111.858 -0.864 -13.886 1.00 0.00 N ATOM 2077 CA LYS A 130 111.414 0.089 -14.942 1.00 0.00 C ATOM 2078 C LYS A 130 110.139 -0.441 -15.604 1.00 0.00 C ATOM 2079 O LYS A 130 110.052 -1.595 -15.972 1.00 0.00 O ATOM 2080 CB LYS A 130 112.518 0.237 -15.996 1.00 0.00 C ATOM 2081 CG LYS A 130 113.015 1.686 -16.028 1.00 0.00 C ATOM 2082 CD LYS A 130 111.974 2.568 -16.720 1.00 0.00 C ATOM 2083 CE LYS A 130 112.575 3.948 -16.995 1.00 0.00 C ATOM 2084 NZ LYS A 130 113.348 4.399 -15.804 1.00 0.00 N ATOM 0 H LYS A 130 112.849 -1.105 -13.907 1.00 0.00 H new ATOM 0 HA LYS A 130 111.211 1.061 -14.493 1.00 0.00 H new ATOM 0 HB2 LYS A 130 113.345 -0.436 -15.767 1.00 0.00 H new ATOM 0 HB3 LYS A 130 112.138 -0.048 -16.977 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.193 2.043 -15.014 1.00 0.00 H new ATOM 0 HG3 LYS A 130 113.966 1.744 -16.558 1.00 0.00 H new ATOM 0 HD2 LYS A 130 111.654 2.106 -17.654 1.00 0.00 H new ATOM 0 HD3 LYS A 130 111.088 2.664 -16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 130 113.225 3.906 -17.869 1.00 0.00 H new ATOM 0 HE3 LYS A 130 111.784 4.663 -17.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 113.799 5.314 -16.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 112.706 4.503 -14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 114.080 3.695 -15.578 1.00 0.00 H new ATOM 2098 N ASP A 131 109.152 0.398 -15.757 1.00 0.00 N ATOM 2099 CA ASP A 131 107.883 -0.054 -16.395 1.00 0.00 C ATOM 2100 C ASP A 131 108.155 -0.446 -17.849 1.00 0.00 C ATOM 2101 O ASP A 131 107.331 -1.143 -18.417 1.00 0.00 O ATOM 2102 CB ASP A 131 106.859 1.083 -16.356 1.00 0.00 C ATOM 2103 CG ASP A 131 105.675 0.735 -17.260 1.00 0.00 C ATOM 2104 OD1 ASP A 131 104.893 -0.120 -16.877 1.00 0.00 O ATOM 2105 OD2 ASP A 131 105.572 1.329 -18.321 1.00 0.00 O ATOM 0 H ASP A 131 109.169 1.376 -15.468 1.00 0.00 H new ATOM 0 HA ASP A 131 107.491 -0.915 -15.854 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.515 1.242 -15.334 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.321 2.014 -16.686 1.00 0.00 H new TER 2110 ASP A 131