USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 674 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 89 TYR OH : rot 180:sc= -1.49 USER MOD Set 1.2: A 96 SER OG : rot 82:sc= 0.0135 USER MOD Set 2.1: A 48 ASN : amide:sc= -2.53! K(o=-7!,f=-1.8) USER MOD Set 2.2: A 73 ASN : amide:sc= -4.49! C(o=-7!,f=-9!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.112 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -4.89! C(o=-4.9!,f=-14!) USER MOD Single : A 11 THR OG1 : rot -150:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0272 (180deg=-0.186) USER MOD Single : A 17 ASN : amide:sc= -5.99! C(o=-6!,f=-5.3!) USER MOD Single : A 27 THR OG1 : rot 95:sc= 0.242 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= 1.11 (180deg=0.314) USER MOD Single : A 42 ASN : amide:sc= -0.0109 K(o=-0.011,f=-3.5!) USER MOD Single : A 43 THR OG1 : rot 56:sc= -2.85! USER MOD Single : A 47 ASN : amide:sc= -1.01 K(o=-1,f=-2.3) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.939 K(o=-0.94,f=-0.23) USER MOD Single : A 56 ASN : amide:sc= -5.08 K(o=-5.1,f=-1.4) USER MOD Single : A 62 THR OG1 : rot -65:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 67 ASN : amide:sc= 0.493 K(o=0.49,f=-5.8!) USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 71 THR OG1 : rot -22:sc= 0.0922 USER MOD Single : A 74 SER OG : rot 134:sc= 0.913 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= 1.18 (180deg=1.14) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.305 (180deg=-0.309) USER MOD Single : A 85 THR OG1 : rot 25:sc= -1.59! USER MOD Single : A 87 ASN : amide:sc= -5.13! C(o=-5.1!,f=-3.1!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc=-4.24e-05 USER MOD Single : A 98 SER OG : rot 180:sc= -0.207 USER MOD Single : A 99 SER OG : rot -72:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.456 -2.758 -2.799 1.00 0.00 N ATOM 2 CA GLY A 1 18.167 -2.768 -2.063 1.00 0.00 C ATOM 3 C GLY A 1 18.134 -3.850 -1.009 1.00 0.00 C ATOM 4 O GLY A 1 19.116 -4.576 -0.833 1.00 0.00 O ATOM 0 H1 GLY A 1 19.928 -1.842 -2.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.067 -3.520 -2.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.278 -2.906 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.009 -1.797 -1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.348 -2.919 -2.766 1.00 0.00 H new ATOM 10 N VAL A 2 17.010 -3.977 -0.315 1.00 0.00 N ATOM 11 CA VAL A 2 16.890 -4.962 0.751 1.00 0.00 C ATOM 12 C VAL A 2 15.425 -5.317 1.001 1.00 0.00 C ATOM 13 O VAL A 2 14.529 -4.768 0.349 1.00 0.00 O ATOM 14 CB VAL A 2 17.529 -4.441 2.061 1.00 0.00 C ATOM 15 CG1 VAL A 2 16.570 -3.516 2.806 1.00 0.00 C ATOM 16 CG2 VAL A 2 17.978 -5.595 2.942 1.00 0.00 C ATOM 0 H VAL A 2 16.174 -3.414 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 2 17.422 -5.858 0.432 1.00 0.00 H new ATOM 0 HB VAL A 2 18.413 -3.860 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.043 -3.164 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.323 -2.663 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.659 -4.060 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.424 -5.203 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.118 -6.216 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.715 -6.195 2.408 1.00 0.00 H new ATOM 26 N ASP A 3 15.195 -6.228 1.942 1.00 0.00 N ATOM 27 CA ASP A 3 13.870 -6.600 2.385 1.00 0.00 C ATOM 28 C ASP A 3 13.018 -5.356 2.666 1.00 0.00 C ATOM 29 O ASP A 3 13.446 -4.419 3.339 1.00 0.00 O ATOM 30 CB ASP A 3 13.989 -7.504 3.616 1.00 0.00 C ATOM 31 CG ASP A 3 14.528 -6.817 4.853 1.00 0.00 C ATOM 32 OD1 ASP A 3 15.664 -6.319 4.821 1.00 0.00 O ATOM 33 OD2 ASP A 3 13.827 -6.823 5.880 1.00 0.00 O ATOM 0 H ASP A 3 15.941 -6.732 2.421 1.00 0.00 H new ATOM 0 HA ASP A 3 13.361 -7.154 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.006 -7.916 3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.638 -8.345 3.372 1.00 0.00 H new ATOM 38 N PRO A 4 11.808 -5.341 2.081 1.00 0.00 N ATOM 39 CA PRO A 4 10.885 -4.183 2.025 1.00 0.00 C ATOM 40 C PRO A 4 10.697 -3.331 3.300 1.00 0.00 C ATOM 41 O PRO A 4 10.227 -2.200 3.193 1.00 0.00 O ATOM 42 CB PRO A 4 9.547 -4.821 1.647 1.00 0.00 C ATOM 43 CG PRO A 4 9.787 -6.288 1.554 1.00 0.00 C ATOM 44 CD PRO A 4 11.243 -6.478 1.352 1.00 0.00 C ATOM 0 HA PRO A 4 11.305 -3.455 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.787 -4.599 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.184 -4.427 0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.455 -6.791 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.224 -6.719 0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.589 -7.431 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.513 -6.460 0.296 1.00 0.00 H new ATOM 52 N LYS A 5 11.058 -3.825 4.483 1.00 0.00 N ATOM 53 CA LYS A 5 10.765 -3.092 5.728 1.00 0.00 C ATOM 54 C LYS A 5 11.691 -1.901 5.949 1.00 0.00 C ATOM 55 O LYS A 5 11.741 -1.348 7.045 1.00 0.00 O ATOM 56 CB LYS A 5 10.798 -4.010 6.955 1.00 0.00 C ATOM 57 CG LYS A 5 12.088 -4.801 7.127 1.00 0.00 C ATOM 58 CD LYS A 5 13.207 -3.972 7.744 1.00 0.00 C ATOM 59 CE LYS A 5 12.905 -3.604 9.188 1.00 0.00 C ATOM 60 NZ LYS A 5 14.008 -2.823 9.804 1.00 0.00 N ATOM 0 H LYS A 5 11.545 -4.712 4.613 1.00 0.00 H new ATOM 0 HA LYS A 5 9.753 -2.707 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.637 -3.406 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.965 -4.710 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.896 -5.670 7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.412 -5.176 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.141 -4.531 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.351 -3.063 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.983 -3.024 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.737 -4.512 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.763 -2.592 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.883 -3.385 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.152 -1.944 9.268 1.00 0.00 H new ATOM 74 N HIS A 6 12.425 -1.510 4.921 1.00 0.00 N ATOM 75 CA HIS A 6 13.318 -0.355 5.009 1.00 0.00 C ATOM 76 C HIS A 6 12.530 0.961 5.007 1.00 0.00 C ATOM 77 O HIS A 6 13.066 2.013 4.664 1.00 0.00 O ATOM 78 CB HIS A 6 14.360 -0.375 3.887 1.00 0.00 C ATOM 79 CG HIS A 6 13.806 -0.712 2.553 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.480 -1.992 2.176 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.495 0.077 1.513 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.984 -1.972 0.958 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.986 -0.729 0.524 1.00 0.00 N ATOM 0 H HIS A 6 12.424 -1.973 4.012 1.00 0.00 H new ATOM 0 HA HIS A 6 13.849 -0.421 5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.839 0.602 3.833 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.136 -1.097 4.139 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.603 -2.826 2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.622 1.148 1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.634 -2.832 0.406 1.00 0.00 H new ATOM 92 N VAL A 7 11.248 0.851 5.382 1.00 0.00 N ATOM 93 CA VAL A 7 10.351 1.976 5.675 1.00 0.00 C ATOM 94 C VAL A 7 10.422 3.113 4.647 1.00 0.00 C ATOM 95 O VAL A 7 10.708 2.882 3.472 1.00 0.00 O ATOM 96 CB VAL A 7 10.573 2.497 7.120 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.353 1.358 8.111 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.951 3.123 7.308 1.00 0.00 C ATOM 0 H VAL A 7 10.792 -0.055 5.493 1.00 0.00 H new ATOM 0 HA VAL A 7 9.337 1.583 5.597 1.00 0.00 H new ATOM 0 HB VAL A 7 9.847 3.288 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.509 1.724 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.335 0.982 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.058 0.553 7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.055 3.471 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.720 2.380 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.064 3.966 6.626 1.00 0.00 H new ATOM 108 N CYS A 8 10.086 4.324 5.078 1.00 0.00 N ATOM 109 CA CYS A 8 9.976 5.459 4.179 1.00 0.00 C ATOM 110 C CYS A 8 10.194 6.784 4.872 1.00 0.00 C ATOM 111 O CYS A 8 9.996 6.924 6.081 1.00 0.00 O ATOM 112 CB CYS A 8 8.580 5.478 3.578 1.00 0.00 C ATOM 113 SG CYS A 8 8.132 7.042 2.737 1.00 0.00 S ATOM 0 H CYS A 8 9.884 4.542 6.054 1.00 0.00 H new ATOM 0 HA CYS A 8 10.751 5.339 3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.495 4.659 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.855 5.286 4.369 1.00 0.00 H new ATOM 118 N VAL A 9 10.607 7.739 4.068 1.00 0.00 N ATOM 119 CA VAL A 9 10.507 9.141 4.384 1.00 0.00 C ATOM 120 C VAL A 9 10.265 9.861 3.066 1.00 0.00 C ATOM 121 O VAL A 9 11.192 10.103 2.297 1.00 0.00 O ATOM 122 CB VAL A 9 11.822 9.633 5.006 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.847 9.375 6.503 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.980 8.921 4.322 1.00 0.00 C ATOM 0 H VAL A 9 11.030 7.555 3.158 1.00 0.00 H new ATOM 0 HA VAL A 9 9.704 9.329 5.097 1.00 0.00 H new ATOM 0 HB VAL A 9 11.911 10.709 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.789 9.733 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.018 9.901 6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.751 8.305 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.922 9.260 4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.882 7.845 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.967 9.147 3.256 1.00 0.00 H new ATOM 134 N ASP A 10 9.018 10.187 2.813 1.00 0.00 N ATOM 135 CA ASP A 10 8.633 10.773 1.546 1.00 0.00 C ATOM 136 C ASP A 10 7.791 12.018 1.735 1.00 0.00 C ATOM 137 O ASP A 10 7.138 12.165 2.765 1.00 0.00 O ATOM 138 CB ASP A 10 7.876 9.732 0.715 1.00 0.00 C ATOM 139 CG ASP A 10 7.160 10.297 -0.509 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.808 10.957 -1.348 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.937 10.090 -0.633 1.00 0.00 O ATOM 0 H ASP A 10 8.249 10.056 3.470 1.00 0.00 H new ATOM 0 HA ASP A 10 9.538 11.076 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.579 8.966 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.143 9.239 1.354 1.00 0.00 H new ATOM 146 N THR A 11 7.812 12.869 0.716 1.00 0.00 N ATOM 147 CA THR A 11 6.822 13.915 0.511 1.00 0.00 C ATOM 148 C THR A 11 6.617 14.893 1.674 1.00 0.00 C ATOM 149 O THR A 11 6.926 14.644 2.836 1.00 0.00 O ATOM 150 CB THR A 11 5.526 13.199 0.094 1.00 0.00 C ATOM 151 OG1 THR A 11 5.562 12.912 -1.308 1.00 0.00 O ATOM 152 CG2 THR A 11 4.268 13.960 0.437 1.00 0.00 C ATOM 0 H THR A 11 8.533 12.849 -0.005 1.00 0.00 H new ATOM 0 HA THR A 11 7.187 14.589 -0.264 1.00 0.00 H new ATOM 0 HB THR A 11 5.485 12.276 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.650 12.915 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.398 13.390 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.218 14.114 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.278 14.926 -0.067 1.00 0.00 H new ATOM 160 N ARG A 12 6.101 16.046 1.294 1.00 0.00 N ATOM 161 CA ARG A 12 5.888 17.147 2.194 1.00 0.00 C ATOM 162 C ARG A 12 4.650 16.896 3.036 1.00 0.00 C ATOM 163 O ARG A 12 4.661 17.071 4.251 1.00 0.00 O ATOM 164 CB ARG A 12 5.731 18.426 1.391 1.00 0.00 C ATOM 165 CG ARG A 12 6.939 18.780 0.536 1.00 0.00 C ATOM 166 CD ARG A 12 7.094 17.896 -0.694 1.00 0.00 C ATOM 167 NE ARG A 12 5.886 17.825 -1.513 1.00 0.00 N ATOM 168 CZ ARG A 12 5.620 16.820 -2.348 1.00 0.00 C ATOM 169 NH1 ARG A 12 6.476 15.810 -2.474 1.00 0.00 N ATOM 170 NH2 ARG A 12 4.510 16.834 -3.068 1.00 0.00 N ATOM 0 H ARG A 12 5.816 16.240 0.334 1.00 0.00 H new ATOM 0 HA ARG A 12 6.745 17.246 2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.858 18.331 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.532 19.250 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.857 19.819 0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.840 18.703 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.915 18.274 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.369 16.890 -0.377 1.00 0.00 H new ATOM 0 HE ARG A 12 5.210 18.585 -1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.339 15.802 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.269 15.043 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.858 17.614 -2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.307 16.065 -3.707 1.00 0.00 H new ATOM 184 N ASP A 13 3.585 16.489 2.366 1.00 0.00 N ATOM 185 CA ASP A 13 2.354 16.098 3.044 1.00 0.00 C ATOM 186 C ASP A 13 1.693 14.923 2.333 1.00 0.00 C ATOM 187 O ASP A 13 1.112 15.077 1.258 1.00 0.00 O ATOM 188 CB ASP A 13 1.378 17.271 3.130 1.00 0.00 C ATOM 189 CG ASP A 13 0.116 16.906 3.889 1.00 0.00 C ATOM 190 OD1 ASP A 13 0.207 16.622 5.103 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.975 16.903 3.283 1.00 0.00 O ATOM 0 H ASP A 13 3.545 16.420 1.349 1.00 0.00 H new ATOM 0 HA ASP A 13 2.618 15.792 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.866 18.113 3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.114 17.598 2.124 1.00 0.00 H new ATOM 196 N ILE A 14 1.815 13.746 2.926 1.00 0.00 N ATOM 197 CA ILE A 14 1.201 12.537 2.390 1.00 0.00 C ATOM 198 C ILE A 14 -0.241 12.455 2.863 1.00 0.00 C ATOM 199 O ILE A 14 -0.539 12.814 4.006 1.00 0.00 O ATOM 200 CB ILE A 14 1.986 11.278 2.838 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.423 11.378 2.348 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.344 10.000 2.313 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.441 10.960 3.370 1.00 0.00 C ATOM 0 H ILE A 14 2.339 13.600 3.789 1.00 0.00 H new ATOM 0 HA ILE A 14 1.225 12.579 1.301 1.00 0.00 H new ATOM 0 HB ILE A 14 1.967 11.233 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.538 10.758 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.624 12.406 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.922 9.139 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.325 9.922 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.325 10.023 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.441 11.058 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.354 11.596 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.267 9.922 3.653 1.00 0.00 H new ATOM 215 N PRO A 15 -1.156 12.018 1.981 1.00 0.00 N ATOM 216 CA PRO A 15 -2.583 11.923 2.294 1.00 0.00 C ATOM 217 C PRO A 15 -2.850 11.093 3.546 1.00 0.00 C ATOM 218 O PRO A 15 -2.097 10.181 3.883 1.00 0.00 O ATOM 219 CB PRO A 15 -3.156 11.243 1.053 1.00 0.00 C ATOM 220 CG PRO A 15 -2.229 11.641 -0.030 1.00 0.00 C ATOM 221 CD PRO A 15 -0.882 11.574 0.600 1.00 0.00 C ATOM 0 HA PRO A 15 -3.029 12.894 2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.191 10.160 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.174 11.575 0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.303 10.969 -0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.449 12.645 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.470 10.565 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.166 12.225 0.098 1.00 0.00 H new ATOM 229 N LYS A 16 -3.939 11.431 4.224 1.00 0.00 N ATOM 230 CA LYS A 16 -4.282 10.849 5.504 1.00 0.00 C ATOM 231 C LYS A 16 -4.613 9.382 5.387 1.00 0.00 C ATOM 232 O LYS A 16 -4.290 8.586 6.263 1.00 0.00 O ATOM 233 CB LYS A 16 -5.468 11.595 6.061 1.00 0.00 C ATOM 234 CG LYS A 16 -5.906 11.116 7.420 1.00 0.00 C ATOM 235 CD LYS A 16 -6.993 12.007 7.967 1.00 0.00 C ATOM 236 CE LYS A 16 -7.504 11.517 9.311 1.00 0.00 C ATOM 237 NZ LYS A 16 -6.422 11.446 10.328 1.00 0.00 N ATOM 0 H LYS A 16 -4.611 12.123 3.894 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.421 10.934 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.222 12.655 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.303 11.501 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.268 10.090 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.055 11.109 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.611 13.023 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.820 12.049 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.290 12.184 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.953 10.531 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.838 11.273 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.771 10.671 10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.899 12.345 10.342 1.00 0.00 H new ATOM 251 N ASN A 17 -5.273 9.038 4.305 1.00 0.00 N ATOM 252 CA ASN A 17 -5.651 7.664 4.052 1.00 0.00 C ATOM 253 C ASN A 17 -4.586 7.039 3.177 1.00 0.00 C ATOM 254 O ASN A 17 -4.841 6.130 2.389 1.00 0.00 O ATOM 255 CB ASN A 17 -7.027 7.598 3.374 1.00 0.00 C ATOM 256 CG ASN A 17 -8.152 8.150 4.238 1.00 0.00 C ATOM 257 OD1 ASN A 17 -9.306 7.747 4.107 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.827 9.071 5.122 1.00 0.00 N ATOM 0 H ASN A 17 -5.562 9.695 3.580 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.727 7.116 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.990 8.156 2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.249 6.562 3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.544 9.474 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.859 9.381 5.203 1.00 0.00 H new ATOM 265 N ALA A 18 -3.377 7.554 3.325 1.00 0.00 N ATOM 266 CA ALA A 18 -2.268 7.147 2.496 1.00 0.00 C ATOM 267 C ALA A 18 -1.050 6.833 3.335 1.00 0.00 C ATOM 268 O ALA A 18 -0.960 7.202 4.506 1.00 0.00 O ATOM 269 CB ALA A 18 -1.928 8.228 1.486 1.00 0.00 C ATOM 0 H ALA A 18 -3.143 8.262 4.021 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.568 6.244 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.089 7.901 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.793 8.416 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.657 9.144 2.011 1.00 0.00 H new ATOM 275 N GLY A 19 -0.132 6.130 2.721 1.00 0.00 N ATOM 276 CA GLY A 19 1.128 5.831 3.345 1.00 0.00 C ATOM 277 C GLY A 19 2.253 5.966 2.361 1.00 0.00 C ATOM 278 O GLY A 19 2.056 5.764 1.164 1.00 0.00 O ATOM 0 H GLY A 19 -0.238 5.752 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.292 6.504 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.109 4.818 3.747 1.00 0.00 H new ATOM 282 N CYS A 20 3.431 6.283 2.850 1.00 0.00 N ATOM 283 CA CYS A 20 4.540 6.578 1.976 1.00 0.00 C ATOM 284 C CYS A 20 5.543 5.451 2.004 1.00 0.00 C ATOM 285 O CYS A 20 5.657 4.724 2.996 1.00 0.00 O ATOM 286 CB CYS A 20 5.227 7.879 2.380 1.00 0.00 C ATOM 287 SG CYS A 20 6.467 7.698 3.712 1.00 0.00 S ATOM 0 H CYS A 20 3.644 6.343 3.846 1.00 0.00 H new ATOM 0 HA CYS A 20 4.147 6.690 0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.714 8.306 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.468 8.592 2.702 1.00 0.00 H new ATOM 292 N PHE A 21 6.223 5.274 0.897 1.00 0.00 N ATOM 293 CA PHE A 21 7.343 4.373 0.839 1.00 0.00 C ATOM 294 C PHE A 21 8.554 5.038 0.225 1.00 0.00 C ATOM 295 O PHE A 21 8.451 5.780 -0.735 1.00 0.00 O ATOM 296 CB PHE A 21 7.007 3.121 0.074 1.00 0.00 C ATOM 297 CG PHE A 21 8.207 2.292 -0.210 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.894 1.773 0.839 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.641 2.029 -1.494 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.001 0.993 0.650 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.759 1.250 -1.700 1.00 0.00 C ATOM 302 CZ PHE A 21 10.437 0.727 -0.612 1.00 0.00 C ATOM 0 H PHE A 21 6.016 5.748 0.018 1.00 0.00 H new ATOM 0 HA PHE A 21 7.579 4.097 1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.288 2.532 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.524 3.391 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.559 1.981 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.103 2.434 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.529 0.588 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.104 1.049 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.310 0.109 -0.764 1.00 0.00 H new ATOM 312 N ARG A 22 9.693 4.769 0.812 1.00 0.00 N ATOM 313 CA ARG A 22 10.948 5.247 0.288 1.00 0.00 C ATOM 314 C ARG A 22 11.965 4.138 0.384 1.00 0.00 C ATOM 315 O ARG A 22 12.380 3.753 1.475 1.00 0.00 O ATOM 316 CB ARG A 22 11.431 6.491 1.022 1.00 0.00 C ATOM 317 CG ARG A 22 12.816 6.907 0.577 1.00 0.00 C ATOM 318 CD ARG A 22 13.822 6.696 1.678 1.00 0.00 C ATOM 319 NE ARG A 22 15.086 6.195 1.154 1.00 0.00 N ATOM 320 CZ ARG A 22 16.222 6.890 1.136 1.00 0.00 C ATOM 321 NH1 ARG A 22 16.229 8.167 1.501 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.344 6.316 0.711 1.00 0.00 N ATOM 0 H ARG A 22 9.777 4.214 1.664 1.00 0.00 H new ATOM 0 HA ARG A 22 10.809 5.534 -0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.733 7.309 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.437 6.300 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.108 6.332 -0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.808 7.957 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.991 7.636 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.423 5.991 2.407 1.00 0.00 H new ATOM 0 HE ARG A 22 15.102 5.248 0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.363 8.618 1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.100 8.697 1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.334 5.345 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.215 6.847 0.697 1.00 0.00 H new ATOM 336 N ASP A 23 12.364 3.621 -0.755 1.00 0.00 N ATOM 337 CA ASP A 23 13.118 2.391 -0.768 1.00 0.00 C ATOM 338 C ASP A 23 14.597 2.621 -0.472 1.00 0.00 C ATOM 339 O ASP A 23 15.012 3.733 -0.141 1.00 0.00 O ATOM 340 CB ASP A 23 12.950 1.666 -2.098 1.00 0.00 C ATOM 341 CG ASP A 23 13.982 2.067 -3.132 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.086 3.264 -3.446 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.724 1.182 -3.599 1.00 0.00 O ATOM 0 H ASP A 23 12.182 4.027 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 23 12.718 1.764 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.014 0.591 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.954 1.868 -2.491 1.00 0.00 H new ATOM 348 N ASP A 24 15.384 1.563 -0.605 1.00 0.00 N ATOM 349 CA ASP A 24 16.813 1.620 -0.342 1.00 0.00 C ATOM 350 C ASP A 24 17.507 2.571 -1.316 1.00 0.00 C ATOM 351 O ASP A 24 18.445 3.279 -0.950 1.00 0.00 O ATOM 352 CB ASP A 24 17.397 0.216 -0.452 1.00 0.00 C ATOM 353 CG ASP A 24 18.884 0.161 -0.159 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.256 0.141 1.031 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.680 0.102 -1.114 1.00 0.00 O ATOM 0 H ASP A 24 15.051 0.644 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 24 16.978 2.002 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.873 -0.443 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.217 -0.167 -1.456 1.00 0.00 H new ATOM 360 N ASP A 25 17.009 2.611 -2.550 1.00 0.00 N ATOM 361 CA ASP A 25 17.608 3.429 -3.602 1.00 0.00 C ATOM 362 C ASP A 25 17.350 4.917 -3.376 1.00 0.00 C ATOM 363 O ASP A 25 18.151 5.762 -3.778 1.00 0.00 O ATOM 364 CB ASP A 25 17.047 3.016 -4.967 1.00 0.00 C ATOM 365 CG ASP A 25 17.741 3.725 -6.112 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.751 3.191 -6.618 1.00 0.00 O ATOM 367 OD2 ASP A 25 17.279 4.812 -6.523 1.00 0.00 O ATOM 0 H ASP A 25 16.188 2.084 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 25 18.685 3.264 -3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.155 1.938 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.980 3.235 -5.000 1.00 0.00 H new ATOM 372 N GLY A 26 16.243 5.232 -2.715 1.00 0.00 N ATOM 373 CA GLY A 26 15.871 6.619 -2.514 1.00 0.00 C ATOM 374 C GLY A 26 14.590 6.956 -3.241 1.00 0.00 C ATOM 375 O GLY A 26 14.222 8.123 -3.371 1.00 0.00 O ATOM 0 H GLY A 26 15.597 4.552 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.749 6.814 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.673 7.267 -2.867 1.00 0.00 H new ATOM 379 N THR A 27 13.922 5.921 -3.721 1.00 0.00 N ATOM 380 CA THR A 27 12.660 6.059 -4.420 1.00 0.00 C ATOM 381 C THR A 27 11.545 6.345 -3.428 1.00 0.00 C ATOM 382 O THR A 27 11.288 5.540 -2.538 1.00 0.00 O ATOM 383 CB THR A 27 12.338 4.760 -5.171 1.00 0.00 C ATOM 384 OG1 THR A 27 13.456 4.380 -5.984 1.00 0.00 O ATOM 385 CG2 THR A 27 11.097 4.906 -6.036 1.00 0.00 C ATOM 0 H THR A 27 14.243 4.957 -3.635 1.00 0.00 H new ATOM 0 HA THR A 27 12.740 6.884 -5.127 1.00 0.00 H new ATOM 0 HB THR A 27 12.140 3.985 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.011 3.735 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.901 3.966 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.243 5.160 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.256 5.697 -6.770 1.00 0.00 H new ATOM 393 N GLU A 28 10.890 7.481 -3.583 1.00 0.00 N ATOM 394 CA GLU A 28 9.846 7.888 -2.662 1.00 0.00 C ATOM 395 C GLU A 28 8.495 7.927 -3.357 1.00 0.00 C ATOM 396 O GLU A 28 8.297 8.656 -4.331 1.00 0.00 O ATOM 397 CB GLU A 28 10.184 9.251 -2.064 1.00 0.00 C ATOM 398 CG GLU A 28 11.309 9.208 -1.044 1.00 0.00 C ATOM 399 CD GLU A 28 11.910 10.573 -0.781 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.179 11.482 -0.345 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.127 10.740 -0.993 1.00 0.00 O ATOM 0 H GLU A 28 11.064 8.140 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 28 9.786 7.155 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.461 9.932 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.292 9.662 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.931 8.795 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.089 8.534 -1.397 1.00 0.00 H new ATOM 408 N GLU A 29 7.574 7.128 -2.847 1.00 0.00 N ATOM 409 CA GLU A 29 6.244 7.022 -3.408 1.00 0.00 C ATOM 410 C GLU A 29 5.245 6.742 -2.312 1.00 0.00 C ATOM 411 O GLU A 29 5.422 5.811 -1.534 1.00 0.00 O ATOM 412 CB GLU A 29 6.183 5.895 -4.436 1.00 0.00 C ATOM 413 CG GLU A 29 4.766 5.477 -4.807 1.00 0.00 C ATOM 414 CD GLU A 29 4.731 4.371 -5.837 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.899 4.666 -7.040 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.520 3.202 -5.455 1.00 0.00 O ATOM 0 H GLU A 29 7.730 6.535 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 29 6.003 7.966 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.707 6.210 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.716 5.029 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.243 5.148 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.226 6.342 -5.191 1.00 0.00 H new ATOM 423 N TRP A 30 4.207 7.539 -2.241 1.00 0.00 N ATOM 424 CA TRP A 30 3.119 7.227 -1.353 1.00 0.00 C ATOM 425 C TRP A 30 1.987 6.585 -2.139 1.00 0.00 C ATOM 426 O TRP A 30 1.848 6.794 -3.348 1.00 0.00 O ATOM 427 CB TRP A 30 2.644 8.464 -0.575 1.00 0.00 C ATOM 428 CG TRP A 30 2.105 9.577 -1.417 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.721 10.759 -1.699 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.828 9.623 -2.059 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.905 11.539 -2.483 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.734 10.862 -2.716 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.244 8.733 -2.141 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.392 11.230 -3.447 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.359 9.099 -2.868 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.427 10.342 -3.509 1.00 0.00 C ATOM 0 H TRP A 30 4.094 8.397 -2.781 1.00 0.00 H new ATOM 0 HA TRP A 30 3.472 6.515 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.872 8.156 0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.478 8.846 0.013 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.706 11.041 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.132 12.469 -2.834 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.202 7.775 -1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.445 12.185 -3.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.192 8.416 -2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.316 10.603 -4.064 1.00 0.00 H new ATOM 447 N ARG A 31 1.207 5.788 -1.445 1.00 0.00 N ATOM 448 CA ARG A 31 0.094 5.058 -2.026 1.00 0.00 C ATOM 449 C ARG A 31 -1.101 5.171 -1.109 1.00 0.00 C ATOM 450 O ARG A 31 -1.023 5.789 -0.050 1.00 0.00 O ATOM 451 CB ARG A 31 0.417 3.580 -2.240 1.00 0.00 C ATOM 452 CG ARG A 31 1.503 3.308 -3.266 1.00 0.00 C ATOM 453 CD ARG A 31 1.503 1.848 -3.697 1.00 0.00 C ATOM 454 NE ARG A 31 2.712 1.504 -4.445 1.00 0.00 N ATOM 455 CZ ARG A 31 2.874 0.379 -5.144 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.948 -0.575 -5.110 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.985 0.201 -5.848 1.00 0.00 N ATOM 0 H ARG A 31 1.327 5.623 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.116 5.497 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.721 3.147 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.492 3.065 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.352 3.946 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.475 3.566 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.425 1.209 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.626 1.651 -4.313 1.00 0.00 H new ATOM 0 HE ARG A 31 3.484 2.170 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.107 -0.449 -4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.079 -1.432 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.707 0.921 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.117 -0.656 -6.385 1.00 0.00 H new ATOM 471 N CYS A 32 -2.185 4.532 -1.492 1.00 0.00 N ATOM 472 CA CYS A 32 -3.422 4.623 -0.745 1.00 0.00 C ATOM 473 C CYS A 32 -3.659 3.296 -0.078 1.00 0.00 C ATOM 474 O CYS A 32 -3.619 2.247 -0.721 1.00 0.00 O ATOM 475 CB CYS A 32 -4.593 4.929 -1.683 1.00 0.00 C ATOM 476 SG CYS A 32 -4.400 6.474 -2.620 1.00 0.00 S ATOM 0 H CYS A 32 -2.235 3.940 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.349 5.424 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.710 4.102 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.511 4.983 -1.097 1.00 0.00 H new ATOM 481 N LEU A 33 -3.865 3.367 1.231 1.00 0.00 N ATOM 482 CA LEU A 33 -3.875 2.192 2.085 1.00 0.00 C ATOM 483 C LEU A 33 -4.928 1.192 1.630 1.00 0.00 C ATOM 484 O LEU A 33 -5.825 1.518 0.856 1.00 0.00 O ATOM 485 CB LEU A 33 -4.128 2.595 3.539 1.00 0.00 C ATOM 486 CG LEU A 33 -3.241 3.711 4.105 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.293 3.700 5.621 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.807 3.600 3.622 1.00 0.00 C ATOM 0 H LEU A 33 -4.030 4.242 1.728 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.898 1.715 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.168 2.907 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.004 1.711 4.164 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.632 4.660 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.660 4.496 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.320 3.858 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.937 2.738 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.216 4.411 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.390 2.643 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.783 3.666 2.534 1.00 0.00 H new ATOM 500 N LEU A 34 -4.817 -0.017 2.136 1.00 0.00 N ATOM 501 CA LEU A 34 -5.618 -1.125 1.677 1.00 0.00 C ATOM 502 C LEU A 34 -7.095 -0.894 1.916 1.00 0.00 C ATOM 503 O LEU A 34 -7.518 -0.532 3.014 1.00 0.00 O ATOM 504 CB LEU A 34 -5.131 -2.393 2.358 1.00 0.00 C ATOM 505 CG LEU A 34 -3.645 -2.647 2.141 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.208 -3.935 2.797 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.330 -2.668 0.658 1.00 0.00 C ATOM 0 H LEU A 34 -4.164 -0.258 2.882 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.502 -1.226 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.331 -2.325 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.699 -3.243 1.981 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.089 -1.834 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.143 -4.088 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.398 -3.880 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.768 -4.768 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.265 -2.850 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.902 -3.461 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.596 -1.708 0.216 1.00 0.00 H new ATOM 519 N GLY A 35 -7.863 -1.074 0.858 1.00 0.00 N ATOM 520 CA GLY A 35 -9.287 -0.861 0.926 1.00 0.00 C ATOM 521 C GLY A 35 -9.659 0.575 0.639 1.00 0.00 C ATOM 522 O GLY A 35 -10.836 0.950 0.701 1.00 0.00 O ATOM 0 H GLY A 35 -7.520 -1.367 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.786 -1.515 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.648 -1.138 1.916 1.00 0.00 H new ATOM 526 N TYR A 36 -8.655 1.384 0.331 1.00 0.00 N ATOM 527 CA TYR A 36 -8.870 2.786 0.033 1.00 0.00 C ATOM 528 C TYR A 36 -8.750 3.019 -1.463 1.00 0.00 C ATOM 529 O TYR A 36 -8.615 2.074 -2.242 1.00 0.00 O ATOM 530 CB TYR A 36 -7.865 3.670 0.771 1.00 0.00 C ATOM 531 CG TYR A 36 -7.909 3.549 2.283 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.766 2.666 2.926 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.079 4.323 3.062 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.785 2.561 4.299 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.090 4.226 4.438 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.946 3.343 5.053 1.00 0.00 C ATOM 537 OH TYR A 36 -7.963 3.236 6.425 1.00 0.00 O ATOM 0 H TYR A 36 -7.680 1.088 0.282 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.872 3.053 0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.861 3.420 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.046 4.710 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.430 2.050 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.405 5.020 2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.457 1.866 4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.429 4.841 5.030 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.309 3.857 6.810 1.00 0.00 H new ATOM 547 N LYS A 37 -8.818 4.275 -1.857 1.00 0.00 N ATOM 548 CA LYS A 37 -8.790 4.645 -3.241 1.00 0.00 C ATOM 549 C LYS A 37 -8.193 6.033 -3.391 1.00 0.00 C ATOM 550 O LYS A 37 -7.906 6.702 -2.396 1.00 0.00 O ATOM 551 CB LYS A 37 -10.218 4.634 -3.743 1.00 0.00 C ATOM 552 CG LYS A 37 -11.139 5.451 -2.887 1.00 0.00 C ATOM 553 CD LYS A 37 -12.436 5.638 -3.597 1.00 0.00 C ATOM 554 CE LYS A 37 -12.317 6.723 -4.653 1.00 0.00 C ATOM 555 NZ LYS A 37 -13.460 6.716 -5.603 1.00 0.00 N ATOM 0 H LYS A 37 -8.894 5.065 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.179 3.949 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.243 5.016 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.578 3.606 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.303 4.953 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.688 6.419 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.739 4.701 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.214 5.904 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.259 7.696 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.387 6.588 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.333 7.474 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.502 5.798 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.346 6.872 -5.081 1.00 0.00 H new ATOM 569 N LYS A 38 -8.020 6.461 -4.626 1.00 0.00 N ATOM 570 CA LYS A 38 -7.502 7.788 -4.904 1.00 0.00 C ATOM 571 C LYS A 38 -8.659 8.728 -5.198 1.00 0.00 C ATOM 572 O LYS A 38 -9.524 8.423 -6.021 1.00 0.00 O ATOM 573 CB LYS A 38 -6.543 7.746 -6.100 1.00 0.00 C ATOM 574 CG LYS A 38 -5.655 8.972 -6.215 1.00 0.00 C ATOM 575 CD LYS A 38 -4.557 8.972 -5.169 1.00 0.00 C ATOM 576 CE LYS A 38 -3.288 8.304 -5.676 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.356 6.817 -5.629 1.00 0.00 N ATOM 0 H LYS A 38 -8.231 5.908 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.953 8.148 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.914 6.859 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.124 7.642 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.210 9.006 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.261 9.871 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.335 9.998 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.907 8.455 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.101 8.622 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.442 8.643 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.393 6.425 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.830 6.519 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.893 6.468 -6.449 1.00 0.00 H new ATOM 591 N GLY A 39 -8.679 9.858 -4.508 1.00 0.00 N ATOM 592 CA GLY A 39 -9.732 10.827 -4.711 1.00 0.00 C ATOM 593 C GLY A 39 -9.355 11.798 -5.800 1.00 0.00 C ATOM 594 O GLY A 39 -9.655 11.573 -6.974 1.00 0.00 O ATOM 0 H GLY A 39 -7.983 10.120 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.658 10.316 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.920 11.367 -3.783 1.00 0.00 H new ATOM 598 N GLU A 40 -8.692 12.876 -5.420 1.00 0.00 N ATOM 599 CA GLU A 40 -8.023 13.717 -6.398 1.00 0.00 C ATOM 600 C GLU A 40 -6.647 13.121 -6.646 1.00 0.00 C ATOM 601 O GLU A 40 -6.271 12.155 -5.976 1.00 0.00 O ATOM 602 CB GLU A 40 -7.914 15.181 -5.930 1.00 0.00 C ATOM 603 CG GLU A 40 -6.885 15.424 -4.830 1.00 0.00 C ATOM 604 CD GLU A 40 -6.825 16.875 -4.392 1.00 0.00 C ATOM 605 OE1 GLU A 40 -7.601 17.266 -3.495 1.00 0.00 O ATOM 606 OE2 GLU A 40 -6.002 17.634 -4.944 1.00 0.00 O ATOM 0 H GLU A 40 -8.602 13.188 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.606 13.741 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.663 15.805 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.891 15.508 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.125 14.799 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.901 15.115 -5.184 1.00 0.00 H new ATOM 613 N GLY A 41 -5.906 13.692 -7.586 1.00 0.00 N ATOM 614 CA GLY A 41 -4.610 13.149 -7.961 1.00 0.00 C ATOM 615 C GLY A 41 -3.725 12.816 -6.772 1.00 0.00 C ATOM 616 O GLY A 41 -3.094 11.758 -6.739 1.00 0.00 O ATOM 0 H GLY A 41 -6.180 14.529 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.761 12.248 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.094 13.868 -8.598 1.00 0.00 H new ATOM 620 N ASN A 42 -3.698 13.696 -5.781 1.00 0.00 N ATOM 621 CA ASN A 42 -2.835 13.498 -4.624 1.00 0.00 C ATOM 622 C ASN A 42 -3.626 13.337 -3.332 1.00 0.00 C ATOM 623 O ASN A 42 -3.314 13.976 -2.328 1.00 0.00 O ATOM 624 CB ASN A 42 -1.861 14.668 -4.473 1.00 0.00 C ATOM 625 CG ASN A 42 -0.786 14.705 -5.539 1.00 0.00 C ATOM 626 OD1 ASN A 42 -0.987 14.296 -6.680 1.00 0.00 O ATOM 627 ND2 ASN A 42 0.373 15.208 -5.167 1.00 0.00 N ATOM 0 H ASN A 42 -4.259 14.548 -5.754 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.283 12.575 -4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.422 15.602 -4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.387 14.611 -3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.141 15.268 -5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.502 15.538 -4.210 1.00 0.00 H new ATOM 634 N THR A 43 -4.639 12.480 -3.345 1.00 0.00 N ATOM 635 CA THR A 43 -5.376 12.175 -2.122 1.00 0.00 C ATOM 636 C THR A 43 -5.825 10.740 -2.079 1.00 0.00 C ATOM 637 O THR A 43 -6.267 10.177 -3.078 1.00 0.00 O ATOM 638 CB THR A 43 -6.622 13.044 -1.925 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.381 13.092 -3.129 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.247 14.436 -1.474 1.00 0.00 C ATOM 0 H THR A 43 -4.967 11.989 -4.176 1.00 0.00 H new ATOM 0 HA THR A 43 -4.664 12.384 -1.324 1.00 0.00 H new ATOM 0 HB THR A 43 -7.234 12.595 -1.143 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.602 12.180 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.150 15.031 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.708 14.379 -0.528 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.611 14.903 -2.226 1.00 0.00 H new ATOM 648 N CYS A 44 -5.740 10.170 -0.906 1.00 0.00 N ATOM 649 CA CYS A 44 -6.245 8.844 -0.674 1.00 0.00 C ATOM 650 C CYS A 44 -7.432 8.927 0.256 1.00 0.00 C ATOM 651 O CYS A 44 -7.432 9.707 1.210 1.00 0.00 O ATOM 652 CB CYS A 44 -5.157 7.956 -0.096 1.00 0.00 C ATOM 653 SG CYS A 44 -3.733 7.765 -1.210 1.00 0.00 S ATOM 0 H CYS A 44 -5.320 10.611 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.563 8.401 -1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.817 8.376 0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.575 6.973 0.123 1.00 0.00 H new ATOM 658 N VAL A 45 -8.444 8.143 -0.038 1.00 0.00 N ATOM 659 CA VAL A 45 -9.689 8.192 0.693 1.00 0.00 C ATOM 660 C VAL A 45 -10.209 6.793 0.903 1.00 0.00 C ATOM 661 O VAL A 45 -9.932 5.893 0.113 1.00 0.00 O ATOM 662 CB VAL A 45 -10.760 9.025 -0.048 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.385 10.499 -0.082 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.960 8.515 -1.468 1.00 0.00 C ATOM 0 H VAL A 45 -8.427 7.454 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.490 8.672 1.651 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.694 8.915 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.157 11.059 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.296 10.875 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.433 10.620 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.718 9.118 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.020 8.587 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.285 7.475 -1.439 1.00 0.00 H new ATOM 674 N GLU A 46 -10.937 6.611 1.982 1.00 0.00 N ATOM 675 CA GLU A 46 -11.513 5.328 2.290 1.00 0.00 C ATOM 676 C GLU A 46 -12.574 4.967 1.269 1.00 0.00 C ATOM 677 O GLU A 46 -13.536 5.705 1.063 1.00 0.00 O ATOM 678 CB GLU A 46 -12.099 5.344 3.690 1.00 0.00 C ATOM 679 CG GLU A 46 -11.061 5.121 4.773 1.00 0.00 C ATOM 680 CD GLU A 46 -11.644 5.223 6.162 1.00 0.00 C ATOM 681 OE1 GLU A 46 -11.929 6.351 6.611 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.828 4.172 6.811 1.00 0.00 O ATOM 0 H GLU A 46 -11.143 7.342 2.663 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.730 4.571 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.592 6.301 3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.865 4.572 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.610 4.137 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.262 5.854 4.663 1.00 0.00 H new ATOM 689 N ASN A 47 -12.370 3.842 0.616 1.00 0.00 N ATOM 690 CA ASN A 47 -13.266 3.388 -0.428 1.00 0.00 C ATOM 691 C ASN A 47 -14.384 2.523 0.149 1.00 0.00 C ATOM 692 O ASN A 47 -15.555 2.748 -0.134 1.00 0.00 O ATOM 693 CB ASN A 47 -12.457 2.634 -1.493 1.00 0.00 C ATOM 694 CG ASN A 47 -13.288 1.923 -2.542 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.470 2.197 -2.734 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.632 1.040 -3.271 1.00 0.00 N ATOM 0 H ASN A 47 -11.582 3.219 0.792 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.744 4.249 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.795 3.341 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.823 1.901 -0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.107 0.553 -4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.650 0.845 -3.074 1.00 0.00 H new ATOM 703 N ASN A 48 -13.998 1.534 0.959 1.00 0.00 N ATOM 704 CA ASN A 48 -14.941 0.590 1.589 1.00 0.00 C ATOM 705 C ASN A 48 -15.695 -0.261 0.573 1.00 0.00 C ATOM 706 O ASN A 48 -16.441 -1.166 0.942 1.00 0.00 O ATOM 707 CB ASN A 48 -15.921 1.283 2.535 1.00 0.00 C ATOM 708 CG ASN A 48 -15.398 1.319 3.958 1.00 0.00 C ATOM 709 OD1 ASN A 48 -15.534 0.351 4.702 1.00 0.00 O ATOM 710 ND2 ASN A 48 -14.824 2.438 4.355 1.00 0.00 N ATOM 0 H ASN A 48 -13.022 1.360 1.201 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.319 -0.080 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.103 2.300 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.878 0.762 2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.475 2.521 5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.729 3.220 3.707 1.00 0.00 H new ATOM 717 N ASN A 49 -15.480 0.016 -0.702 1.00 0.00 N ATOM 718 CA ASN A 49 -15.879 -0.871 -1.768 1.00 0.00 C ATOM 719 C ASN A 49 -14.670 -1.313 -2.601 1.00 0.00 C ATOM 720 O ASN A 49 -14.716 -1.263 -3.830 1.00 0.00 O ATOM 721 CB ASN A 49 -16.854 -0.157 -2.670 1.00 0.00 C ATOM 722 CG ASN A 49 -18.306 -0.394 -2.304 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.657 -0.562 -1.133 1.00 0.00 O ATOM 724 ND2 ASN A 49 -19.154 -0.433 -3.316 1.00 0.00 N ATOM 0 H ASN A 49 -15.021 0.869 -1.023 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.340 -1.753 -1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.650 0.913 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.690 -0.481 -3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.144 -0.608 -3.145 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.819 -0.288 -4.268 1.00 0.00 H new ATOM 731 N PRO A 50 -13.552 -1.715 -1.963 1.00 0.00 N ATOM 732 CA PRO A 50 -12.355 -2.107 -2.686 1.00 0.00 C ATOM 733 C PRO A 50 -12.537 -3.404 -3.454 1.00 0.00 C ATOM 734 O PRO A 50 -13.004 -4.415 -2.919 1.00 0.00 O ATOM 735 CB PRO A 50 -11.300 -2.271 -1.607 1.00 0.00 C ATOM 736 CG PRO A 50 -12.055 -2.515 -0.359 1.00 0.00 C ATOM 737 CD PRO A 50 -13.358 -1.807 -0.514 1.00 0.00 C ATOM 0 HA PRO A 50 -12.088 -1.365 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.633 -3.103 -1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.680 -1.378 -1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.209 -3.582 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.509 -2.139 0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.169 -2.359 -0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.331 -0.820 -0.053 1.00 0.00 H new ATOM 745 N THR A 51 -12.155 -3.351 -4.707 1.00 0.00 N ATOM 746 CA THR A 51 -12.249 -4.478 -5.599 1.00 0.00 C ATOM 747 C THR A 51 -10.856 -4.817 -6.100 1.00 0.00 C ATOM 748 O THR A 51 -10.006 -3.923 -6.206 1.00 0.00 O ATOM 749 CB THR A 51 -13.186 -4.149 -6.783 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.298 -5.265 -7.670 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.702 -2.922 -7.557 1.00 0.00 C ATOM 0 H THR A 51 -11.766 -2.513 -5.140 1.00 0.00 H new ATOM 0 HA THR A 51 -12.666 -5.335 -5.070 1.00 0.00 H new ATOM 0 HB THR A 51 -14.168 -3.927 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.897 -5.035 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.385 -2.720 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.673 -2.060 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.703 -3.111 -7.950 1.00 0.00 H new ATOM 759 N CYS A 52 -10.594 -6.078 -6.408 1.00 0.00 N ATOM 760 CA CYS A 52 -9.297 -6.411 -6.943 1.00 0.00 C ATOM 761 C CYS A 52 -9.375 -6.127 -8.429 1.00 0.00 C ATOM 762 O CYS A 52 -10.256 -6.637 -9.123 1.00 0.00 O ATOM 763 CB CYS A 52 -8.965 -7.887 -6.681 1.00 0.00 C ATOM 764 SG CYS A 52 -7.186 -8.287 -6.753 1.00 0.00 S ATOM 0 H CYS A 52 -11.241 -6.859 -6.300 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.507 -5.827 -6.471 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.347 -8.163 -5.698 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.492 -8.500 -7.412 1.00 0.00 H new ATOM 769 N ASP A 53 -8.411 -5.351 -8.895 1.00 0.00 N ATOM 770 CA ASP A 53 -8.512 -4.619 -10.158 1.00 0.00 C ATOM 771 C ASP A 53 -7.720 -3.340 -10.012 1.00 0.00 C ATOM 772 O ASP A 53 -6.763 -3.085 -10.741 1.00 0.00 O ATOM 773 CB ASP A 53 -9.961 -4.222 -10.484 1.00 0.00 C ATOM 774 CG ASP A 53 -10.071 -3.426 -11.771 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.199 -4.040 -12.848 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.037 -2.178 -11.713 1.00 0.00 O ATOM 0 H ASP A 53 -7.527 -5.206 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.140 -5.263 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.571 -5.122 -10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.367 -3.634 -9.661 1.00 0.00 H new ATOM 781 N ILE A 54 -8.123 -2.551 -9.018 1.00 0.00 N ATOM 782 CA ILE A 54 -7.505 -1.271 -8.757 1.00 0.00 C ATOM 783 C ILE A 54 -6.199 -1.477 -8.041 1.00 0.00 C ATOM 784 O ILE A 54 -6.178 -1.557 -6.815 1.00 0.00 O ATOM 785 CB ILE A 54 -8.382 -0.377 -7.869 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.808 -0.302 -8.423 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.749 1.006 -7.760 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.771 0.454 -7.531 1.00 0.00 C ATOM 0 H ILE A 54 -8.883 -2.787 -8.380 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.361 -0.785 -9.722 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.446 -0.807 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.783 0.176 -9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.184 -1.314 -8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.371 1.642 -7.130 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.756 0.918 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.667 1.448 -8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.760 0.465 -7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.827 -0.036 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.420 1.478 -7.402 1.00 0.00 H new ATOM 800 N ASN A 55 -5.125 -1.594 -8.800 1.00 0.00 N ATOM 801 CA ASN A 55 -3.815 -1.793 -8.217 1.00 0.00 C ATOM 802 C ASN A 55 -3.854 -3.016 -7.313 1.00 0.00 C ATOM 803 O ASN A 55 -3.383 -2.986 -6.185 1.00 0.00 O ATOM 804 CB ASN A 55 -3.409 -0.541 -7.435 1.00 0.00 C ATOM 805 CG ASN A 55 -1.916 -0.418 -7.232 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.176 -0.079 -8.156 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.473 -0.643 -6.019 1.00 0.00 N ATOM 0 H ASN A 55 -5.136 -1.555 -9.819 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.074 -1.961 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.770 0.341 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.901 -0.554 -6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.480 -0.539 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.121 -0.922 -5.283 1.00 0.00 H new ATOM 814 N ASN A 56 -4.499 -4.076 -7.813 1.00 0.00 N ATOM 815 CA ASN A 56 -4.598 -5.355 -7.096 1.00 0.00 C ATOM 816 C ASN A 56 -5.430 -5.176 -5.833 1.00 0.00 C ATOM 817 O ASN A 56 -5.212 -5.853 -4.844 1.00 0.00 O ATOM 818 CB ASN A 56 -3.212 -5.896 -6.703 1.00 0.00 C ATOM 819 CG ASN A 56 -2.126 -5.540 -7.677 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.279 -5.647 -8.893 1.00 0.00 O ATOM 821 ND2 ASN A 56 -1.034 -5.064 -7.131 1.00 0.00 N ATOM 0 H ASN A 56 -4.965 -4.073 -8.720 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.072 -6.071 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.946 -5.509 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.267 -6.981 -6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.259 -4.761 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.959 -4.997 -6.116 1.00 0.00 H new ATOM 828 N GLY A 57 -6.359 -4.232 -5.859 1.00 0.00 N ATOM 829 CA GLY A 57 -7.188 -3.982 -4.699 1.00 0.00 C ATOM 830 C GLY A 57 -6.562 -2.972 -3.762 1.00 0.00 C ATOM 831 O GLY A 57 -7.138 -2.628 -2.732 1.00 0.00 O ATOM 0 H GLY A 57 -6.553 -3.635 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.164 -3.620 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.355 -4.917 -4.165 1.00 0.00 H new ATOM 835 N GLY A 58 -5.390 -2.480 -4.139 1.00 0.00 N ATOM 836 CA GLY A 58 -4.653 -1.579 -3.286 1.00 0.00 C ATOM 837 C GLY A 58 -3.328 -2.179 -2.848 1.00 0.00 C ATOM 838 O GLY A 58 -2.629 -1.623 -2.011 1.00 0.00 O ATOM 0 H GLY A 58 -4.937 -2.693 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.472 -0.643 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.252 -1.338 -2.408 1.00 0.00 H new ATOM 842 N CYS A 59 -2.969 -3.284 -3.476 1.00 0.00 N ATOM 843 CA CYS A 59 -1.783 -4.057 -3.138 1.00 0.00 C ATOM 844 C CYS A 59 -0.702 -3.816 -4.162 1.00 0.00 C ATOM 845 O CYS A 59 -0.863 -3.053 -5.104 1.00 0.00 O ATOM 846 CB CYS A 59 -2.087 -5.556 -3.162 1.00 0.00 C ATOM 847 SG CYS A 59 -3.664 -6.055 -2.402 1.00 0.00 S ATOM 0 H CYS A 59 -3.503 -3.679 -4.251 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.464 -3.747 -2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.082 -5.892 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.278 -6.080 -2.653 1.00 0.00 H new ATOM 852 N ASP A 60 0.396 -4.491 -3.971 1.00 0.00 N ATOM 853 CA ASP A 60 1.486 -4.458 -4.915 1.00 0.00 C ATOM 854 C ASP A 60 1.372 -5.717 -5.732 1.00 0.00 C ATOM 855 O ASP A 60 0.874 -6.714 -5.240 1.00 0.00 O ATOM 856 CB ASP A 60 2.799 -4.459 -4.147 1.00 0.00 C ATOM 857 CG ASP A 60 4.001 -4.202 -5.030 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.335 -3.023 -5.263 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.611 -5.186 -5.504 1.00 0.00 O ATOM 0 H ASP A 60 0.565 -5.082 -3.157 1.00 0.00 H new ATOM 0 HA ASP A 60 1.453 -3.573 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.758 -3.698 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.921 -5.420 -3.648 1.00 0.00 H new ATOM 864 N PRO A 61 1.714 -5.660 -7.025 1.00 0.00 N ATOM 865 CA PRO A 61 1.536 -6.795 -7.925 1.00 0.00 C ATOM 866 C PRO A 61 2.252 -8.044 -7.422 1.00 0.00 C ATOM 867 O PRO A 61 1.981 -9.154 -7.878 1.00 0.00 O ATOM 868 CB PRO A 61 2.156 -6.328 -9.241 1.00 0.00 C ATOM 869 CG PRO A 61 2.204 -4.845 -9.169 1.00 0.00 C ATOM 870 CD PRO A 61 2.251 -4.478 -7.714 1.00 0.00 C ATOM 0 HA PRO A 61 0.486 -7.073 -8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.155 -6.745 -9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.560 -6.658 -10.092 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.080 -4.462 -9.692 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.329 -4.407 -9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.269 -4.258 -7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.652 -3.591 -7.508 1.00 0.00 H new ATOM 878 N THR A 62 3.173 -7.846 -6.493 1.00 0.00 N ATOM 879 CA THR A 62 3.881 -8.940 -5.861 1.00 0.00 C ATOM 880 C THR A 62 3.124 -9.399 -4.619 1.00 0.00 C ATOM 881 O THR A 62 3.286 -10.522 -4.146 1.00 0.00 O ATOM 882 CB THR A 62 5.310 -8.499 -5.494 1.00 0.00 C ATOM 883 OG1 THR A 62 5.278 -7.537 -4.430 1.00 0.00 O ATOM 884 CG2 THR A 62 5.970 -7.870 -6.708 1.00 0.00 C ATOM 0 H THR A 62 3.448 -6.923 -6.158 1.00 0.00 H new ATOM 0 HA THR A 62 3.946 -9.776 -6.557 1.00 0.00 H new ATOM 0 HB THR A 62 5.875 -9.373 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.842 -6.717 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.982 -7.557 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.010 -8.598 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.392 -7.003 -7.028 1.00 0.00 H new ATOM 892 N ALA A 63 2.277 -8.514 -4.115 1.00 0.00 N ATOM 893 CA ALA A 63 1.389 -8.829 -3.015 1.00 0.00 C ATOM 894 C ALA A 63 0.167 -9.570 -3.544 1.00 0.00 C ATOM 895 O ALA A 63 -0.588 -9.037 -4.360 1.00 0.00 O ATOM 896 CB ALA A 63 0.970 -7.554 -2.280 1.00 0.00 C ATOM 0 H ALA A 63 2.189 -7.558 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 63 1.913 -9.469 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.303 -7.811 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.855 -7.053 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.453 -6.889 -2.972 1.00 0.00 H new ATOM 902 N SER A 64 0.000 -10.806 -3.105 1.00 0.00 N ATOM 903 CA SER A 64 -1.140 -11.621 -3.491 1.00 0.00 C ATOM 904 C SER A 64 -2.425 -10.933 -3.058 1.00 0.00 C ATOM 905 O SER A 64 -2.632 -10.697 -1.868 1.00 0.00 O ATOM 906 CB SER A 64 -1.021 -13.010 -2.847 1.00 0.00 C ATOM 907 OG SER A 64 -2.102 -13.857 -3.205 1.00 0.00 O ATOM 0 H SER A 64 0.650 -11.272 -2.472 1.00 0.00 H new ATOM 0 HA SER A 64 -1.159 -11.742 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.082 -13.472 -3.152 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.987 -12.905 -1.763 1.00 0.00 H new ATOM 0 HG SER A 64 -1.988 -14.731 -2.777 1.00 0.00 H new ATOM 913 N CYS A 65 -3.260 -10.569 -4.025 1.00 0.00 N ATOM 914 CA CYS A 65 -4.512 -9.891 -3.731 1.00 0.00 C ATOM 915 C CYS A 65 -5.648 -10.871 -3.573 1.00 0.00 C ATOM 916 O CYS A 65 -5.843 -11.777 -4.385 1.00 0.00 O ATOM 917 CB CYS A 65 -4.883 -8.885 -4.820 1.00 0.00 C ATOM 918 SG CYS A 65 -6.640 -8.381 -4.796 1.00 0.00 S ATOM 0 H CYS A 65 -3.091 -10.733 -5.017 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.356 -9.360 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.259 -7.998 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.652 -9.317 -5.794 1.00 0.00 H new ATOM 923 N GLN A 66 -6.391 -10.659 -2.517 1.00 0.00 N ATOM 924 CA GLN A 66 -7.595 -11.410 -2.237 1.00 0.00 C ATOM 925 C GLN A 66 -8.711 -10.418 -1.985 1.00 0.00 C ATOM 926 O GLN A 66 -8.584 -9.566 -1.104 1.00 0.00 O ATOM 927 CB GLN A 66 -7.419 -12.264 -0.986 1.00 0.00 C ATOM 928 CG GLN A 66 -6.001 -12.752 -0.775 1.00 0.00 C ATOM 929 CD GLN A 66 -5.741 -14.102 -1.405 1.00 0.00 C ATOM 930 OE1 GLN A 66 -5.355 -14.201 -2.567 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.932 -15.156 -0.631 1.00 0.00 N ATOM 0 H GLN A 66 -6.176 -9.950 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.819 -12.063 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.728 -11.685 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.084 -13.125 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.306 -12.023 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.798 -12.811 0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.253 -15.032 0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.758 -16.093 -0.994 1.00 0.00 H new ATOM 940 N ASN A 67 -9.780 -10.486 -2.749 1.00 0.00 N ATOM 941 CA ASN A 67 -10.907 -9.612 -2.488 1.00 0.00 C ATOM 942 C ASN A 67 -11.862 -10.248 -1.512 1.00 0.00 C ATOM 943 O ASN A 67 -12.269 -11.399 -1.656 1.00 0.00 O ATOM 944 CB ASN A 67 -11.642 -9.172 -3.756 1.00 0.00 C ATOM 945 CG ASN A 67 -11.902 -10.273 -4.765 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.137 -11.233 -4.897 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.983 -10.126 -5.504 1.00 0.00 N ATOM 0 H ASN A 67 -9.894 -11.121 -3.539 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.493 -8.706 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.597 -8.731 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.061 -8.387 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.213 -10.820 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.590 -9.318 -5.364 1.00 0.00 H new ATOM 954 N ALA A 68 -12.197 -9.472 -0.514 1.00 0.00 N ATOM 955 CA ALA A 68 -13.028 -9.918 0.584 1.00 0.00 C ATOM 956 C ALA A 68 -13.840 -8.750 1.110 1.00 0.00 C ATOM 957 O ALA A 68 -13.626 -7.606 0.703 1.00 0.00 O ATOM 958 CB ALA A 68 -12.166 -10.508 1.687 1.00 0.00 C ATOM 0 H ALA A 68 -11.899 -8.500 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.709 -10.693 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.802 -10.840 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.605 -11.357 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.471 -9.751 2.050 1.00 0.00 H new ATOM 964 N GLU A 69 -14.780 -9.035 1.989 1.00 0.00 N ATOM 965 CA GLU A 69 -15.575 -7.990 2.601 1.00 0.00 C ATOM 966 C GLU A 69 -15.553 -8.105 4.113 1.00 0.00 C ATOM 967 O GLU A 69 -16.087 -9.052 4.692 1.00 0.00 O ATOM 968 CB GLU A 69 -17.011 -8.029 2.097 1.00 0.00 C ATOM 969 CG GLU A 69 -17.127 -7.906 0.593 1.00 0.00 C ATOM 970 CD GLU A 69 -18.554 -7.727 0.139 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.390 -8.599 0.448 1.00 0.00 O ATOM 972 OE2 GLU A 69 -18.847 -6.705 -0.510 1.00 0.00 O ATOM 0 H GLU A 69 -15.012 -9.980 2.295 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.134 -7.034 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.473 -8.964 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.574 -7.221 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.532 -7.058 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.709 -8.797 0.125 1.00 0.00 H new ATOM 979 N SER A 70 -14.925 -7.136 4.733 1.00 0.00 N ATOM 980 CA SER A 70 -14.843 -7.060 6.176 1.00 0.00 C ATOM 981 C SER A 70 -15.398 -5.726 6.630 1.00 0.00 C ATOM 982 O SER A 70 -15.512 -4.799 5.827 1.00 0.00 O ATOM 983 CB SER A 70 -13.386 -7.207 6.620 1.00 0.00 C ATOM 984 OG SER A 70 -13.277 -7.281 8.031 1.00 0.00 O ATOM 0 H SER A 70 -14.453 -6.372 4.250 1.00 0.00 H new ATOM 0 HA SER A 70 -15.425 -7.866 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.957 -8.104 6.174 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.806 -6.360 6.253 1.00 0.00 H new ATOM 0 HG SER A 70 -12.418 -7.686 8.272 1.00 0.00 H new ATOM 990 N THR A 71 -15.740 -5.629 7.904 1.00 0.00 N ATOM 991 CA THR A 71 -16.225 -4.384 8.478 1.00 0.00 C ATOM 992 C THR A 71 -15.138 -3.308 8.405 1.00 0.00 C ATOM 993 O THR A 71 -15.410 -2.116 8.547 1.00 0.00 O ATOM 994 CB THR A 71 -16.669 -4.597 9.940 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.186 -3.380 10.498 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.510 -5.106 10.781 1.00 0.00 C ATOM 0 H THR A 71 -15.690 -6.404 8.565 1.00 0.00 H new ATOM 0 HA THR A 71 -17.088 -4.051 7.901 1.00 0.00 H new ATOM 0 HB THR A 71 -17.462 -5.345 9.946 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.837 -2.615 9.994 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.842 -5.250 11.809 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.157 -6.055 10.377 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.699 -4.378 10.761 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.906 -3.750 8.190 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.784 -2.856 7.968 1.00 0.00 C ATOM 1006 C GLU A 72 -12.429 -2.862 6.491 1.00 0.00 C ATOM 1007 O GLU A 72 -12.308 -3.927 5.884 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.582 -3.312 8.783 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.897 -3.529 10.245 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.693 -3.949 11.055 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -9.636 -3.295 10.944 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.807 -4.930 11.824 1.00 0.00 O ATOM 0 H GLU A 72 -13.659 -4.739 8.165 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.059 -1.848 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.196 -4.240 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.790 -2.568 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.305 -2.609 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.671 -4.291 10.334 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.276 -1.677 5.913 1.00 0.00 N ATOM 1020 CA ASN A 73 -11.918 -1.551 4.501 1.00 0.00 C ATOM 1021 C ASN A 73 -10.533 -2.119 4.231 1.00 0.00 C ATOM 1022 O ASN A 73 -10.277 -2.631 3.144 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.001 -0.094 4.016 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.456 0.903 5.016 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.534 0.615 5.771 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.033 2.090 5.027 1.00 0.00 N ATOM 0 H ASN A 73 -12.394 -0.788 6.398 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.647 -2.133 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.450 0.002 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.041 0.151 3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.714 2.806 5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.798 2.291 4.383 1.00 0.00 H new ATOM 1033 N SER A 74 -9.654 -2.055 5.221 1.00 0.00 N ATOM 1034 CA SER A 74 -8.311 -2.580 5.060 1.00 0.00 C ATOM 1035 C SER A 74 -8.319 -4.098 5.205 1.00 0.00 C ATOM 1036 O SER A 74 -7.453 -4.794 4.678 1.00 0.00 O ATOM 1037 CB SER A 74 -7.357 -1.938 6.075 1.00 0.00 C ATOM 1038 OG SER A 74 -6.014 -2.345 5.863 1.00 0.00 O ATOM 0 H SER A 74 -9.847 -1.648 6.136 1.00 0.00 H new ATOM 0 HA SER A 74 -7.955 -2.332 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.424 -0.853 6.002 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.664 -2.209 7.085 1.00 0.00 H new ATOM 0 HG SER A 74 -5.425 -1.562 5.901 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.321 -4.612 5.908 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.476 -6.051 6.073 1.00 0.00 C ATOM 1046 C LYS A 75 -10.265 -6.655 4.914 1.00 0.00 C ATOM 1047 O LYS A 75 -10.589 -7.845 4.924 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.173 -6.344 7.396 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.352 -5.954 8.607 1.00 0.00 C ATOM 1050 CD LYS A 75 -8.581 -7.142 9.150 1.00 0.00 C ATOM 1051 CE LYS A 75 -9.530 -8.202 9.680 1.00 0.00 C ATOM 1052 NZ LYS A 75 -8.809 -9.365 10.261 1.00 0.00 N ATOM 0 H LYS A 75 -10.037 -4.054 6.372 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.486 -6.507 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.123 -5.811 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.403 -7.408 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.658 -5.158 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.008 -5.557 9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.957 -7.566 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.912 -6.815 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.176 -7.761 10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.176 -8.545 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.498 -10.062 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.212 -9.803 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.212 -9.044 11.050 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.580 -5.833 3.920 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.311 -6.300 2.753 1.00 0.00 C ATOM 1068 C LYS A 76 -10.361 -6.864 1.722 1.00 0.00 C ATOM 1069 O LYS A 76 -10.501 -7.995 1.281 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.102 -5.184 2.112 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.189 -4.607 2.987 1.00 0.00 C ATOM 1072 CD LYS A 76 -13.993 -3.606 2.192 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.794 -2.659 3.059 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.940 -3.331 3.725 1.00 0.00 N ATOM 0 H LYS A 76 -10.340 -4.842 3.901 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.997 -7.075 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.417 -4.385 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.552 -5.556 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.838 -5.403 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.751 -4.126 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.318 -3.027 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.671 -4.141 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.141 -2.224 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.164 -1.836 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.675 -2.629 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.332 -4.057 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.616 -3.778 4.606 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.403 -6.053 1.322 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.418 -6.488 0.360 1.00 0.00 C ATOM 1090 C ILE A 77 -7.225 -7.052 1.090 1.00 0.00 C ATOM 1091 O ILE A 77 -6.548 -6.356 1.844 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.964 -5.346 -0.567 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.158 -4.796 -1.342 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.887 -5.822 -1.534 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.829 -5.830 -2.219 1.00 0.00 C ATOM 0 H ILE A 77 -9.288 -5.093 1.648 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.879 -7.252 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.541 -4.553 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.888 -4.398 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.827 -3.963 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.584 -4.996 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.024 -6.178 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.281 -6.633 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.670 -5.374 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.112 -6.210 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.189 -6.652 -1.601 1.00 0.00 H new ATOM 1107 N ILE A 78 -6.990 -8.320 0.873 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.896 -8.998 1.521 1.00 0.00 C ATOM 1109 C ILE A 78 -4.678 -8.954 0.626 1.00 0.00 C ATOM 1110 O ILE A 78 -4.654 -9.567 -0.437 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.225 -10.466 1.869 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.476 -10.565 2.749 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.043 -11.113 2.568 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.773 -10.443 1.980 1.00 0.00 C ATOM 0 H ILE A 78 -7.544 -8.907 0.249 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.704 -8.479 2.460 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.427 -10.995 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.464 -11.520 3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.439 -9.783 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.285 -12.148 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.173 -11.087 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.821 -10.569 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.614 -10.523 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.808 -9.477 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.834 -11.241 1.240 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.694 -8.194 1.051 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.452 -8.061 0.317 1.00 0.00 C ATOM 1128 C CYS A 79 -1.341 -8.802 1.051 1.00 0.00 C ATOM 1129 O CYS A 79 -0.963 -8.436 2.162 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.105 -6.583 0.163 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.487 -5.568 -0.445 1.00 0.00 S ATOM 0 H CYS A 79 -3.730 -7.651 1.914 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.563 -8.498 -0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.776 -6.194 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.264 -6.486 -0.524 1.00 0.00 H new ATOM 1136 N THR A 80 -0.846 -9.856 0.434 1.00 0.00 N ATOM 1137 CA THR A 80 0.171 -10.697 1.040 1.00 0.00 C ATOM 1138 C THR A 80 1.419 -10.760 0.170 1.00 0.00 C ATOM 1139 O THR A 80 1.372 -11.247 -0.957 1.00 0.00 O ATOM 1140 CB THR A 80 -0.381 -12.117 1.272 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.401 -12.076 2.281 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.721 -13.082 1.682 1.00 0.00 C ATOM 0 H THR A 80 -1.135 -10.154 -0.498 1.00 0.00 H new ATOM 0 HA THR A 80 0.444 -10.258 1.999 1.00 0.00 H new ATOM 0 HB THR A 80 -0.805 -12.477 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.753 -12.979 2.427 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.297 -14.074 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.475 -13.129 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.182 -12.736 2.607 1.00 0.00 H new ATOM 1150 N CYS A 81 2.535 -10.292 0.696 1.00 0.00 N ATOM 1151 CA CYS A 81 3.766 -10.244 -0.072 1.00 0.00 C ATOM 1152 C CYS A 81 4.453 -11.614 -0.019 1.00 0.00 C ATOM 1153 O CYS A 81 4.355 -12.334 0.979 1.00 0.00 O ATOM 1154 CB CYS A 81 4.684 -9.136 0.465 1.00 0.00 C ATOM 1155 SG CYS A 81 3.824 -7.590 0.933 1.00 0.00 S ATOM 0 H CYS A 81 2.615 -9.940 1.650 1.00 0.00 H new ATOM 0 HA CYS A 81 3.541 -10.010 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.219 -9.516 1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.433 -8.904 -0.293 1.00 0.00 H new ATOM 1160 N LYS A 82 5.134 -11.963 -1.108 1.00 0.00 N ATOM 1161 CA LYS A 82 5.657 -13.313 -1.325 1.00 0.00 C ATOM 1162 C LYS A 82 6.979 -13.564 -0.595 1.00 0.00 C ATOM 1163 O LYS A 82 7.484 -12.694 0.112 1.00 0.00 O ATOM 1164 CB LYS A 82 5.859 -13.543 -2.821 1.00 0.00 C ATOM 1165 CG LYS A 82 4.643 -13.197 -3.655 1.00 0.00 C ATOM 1166 CD LYS A 82 3.498 -14.166 -3.432 1.00 0.00 C ATOM 1167 CE LYS A 82 2.242 -13.676 -4.120 1.00 0.00 C ATOM 1168 NZ LYS A 82 1.421 -14.801 -4.642 1.00 0.00 N ATOM 0 H LYS A 82 5.340 -11.316 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 82 4.924 -14.010 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.705 -12.946 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.119 -14.588 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.314 -12.187 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.917 -13.198 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.768 -15.150 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.313 -14.279 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.649 -13.089 -3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.513 -13.013 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.752 -14.442 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.043 -15.511 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.894 -15.238 -3.859 1.00 0.00 H new ATOM 1182 N GLU A 83 7.532 -14.760 -0.800 1.00 0.00 N ATOM 1183 CA GLU A 83 8.773 -15.198 -0.158 1.00 0.00 C ATOM 1184 C GLU A 83 9.929 -14.181 -0.265 1.00 0.00 C ATOM 1185 O GLU A 83 10.543 -13.854 0.754 1.00 0.00 O ATOM 1186 CB GLU A 83 9.198 -16.532 -0.755 1.00 0.00 C ATOM 1187 CG GLU A 83 8.071 -17.542 -0.785 1.00 0.00 C ATOM 1188 CD GLU A 83 7.583 -17.931 0.597 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.321 -18.620 1.330 1.00 0.00 O ATOM 1190 OE2 GLU A 83 6.447 -17.560 0.949 1.00 0.00 O ATOM 0 H GLU A 83 7.127 -15.459 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 83 8.559 -15.295 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.564 -16.372 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.028 -16.937 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.238 -17.131 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.407 -18.436 -1.310 1.00 0.00 H new ATOM 1197 N PRO A 84 10.257 -13.650 -1.473 1.00 0.00 N ATOM 1198 CA PRO A 84 11.398 -12.745 -1.636 1.00 0.00 C ATOM 1199 C PRO A 84 11.047 -11.333 -1.209 1.00 0.00 C ATOM 1200 O PRO A 84 11.832 -10.392 -1.361 1.00 0.00 O ATOM 1201 CB PRO A 84 11.667 -12.785 -3.129 1.00 0.00 C ATOM 1202 CG PRO A 84 10.329 -13.012 -3.742 1.00 0.00 C ATOM 1203 CD PRO A 84 9.546 -13.845 -2.756 1.00 0.00 C ATOM 0 HA PRO A 84 12.254 -13.040 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.110 -11.852 -3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.362 -13.584 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.825 -12.065 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.422 -13.527 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.509 -13.516 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.529 -14.895 -3.047 1.00 0.00 H new ATOM 1211 N THR A 85 9.843 -11.193 -0.699 1.00 0.00 N ATOM 1212 CA THR A 85 9.346 -9.931 -0.225 1.00 0.00 C ATOM 1213 C THR A 85 8.828 -10.126 1.199 1.00 0.00 C ATOM 1214 O THR A 85 7.631 -10.065 1.465 1.00 0.00 O ATOM 1215 CB THR A 85 8.241 -9.395 -1.166 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.034 -10.125 -1.002 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.661 -9.531 -2.617 1.00 0.00 C ATOM 0 H THR A 85 9.180 -11.962 -0.603 1.00 0.00 H new ATOM 0 HA THR A 85 10.143 -9.188 -0.218 1.00 0.00 H new ATOM 0 HB THR A 85 8.085 -8.347 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.012 -10.524 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.870 -9.148 -3.262 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.575 -8.961 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.841 -10.581 -2.847 1.00 0.00 H new ATOM 1225 N PRO A 86 9.753 -10.363 2.140 1.00 0.00 N ATOM 1226 CA PRO A 86 9.429 -10.804 3.502 1.00 0.00 C ATOM 1227 C PRO A 86 8.718 -9.730 4.309 1.00 0.00 C ATOM 1228 O PRO A 86 8.354 -9.935 5.467 1.00 0.00 O ATOM 1229 CB PRO A 86 10.802 -11.091 4.126 1.00 0.00 C ATOM 1230 CG PRO A 86 11.774 -11.102 3.000 1.00 0.00 C ATOM 1231 CD PRO A 86 11.201 -10.198 1.959 1.00 0.00 C ATOM 0 HA PRO A 86 8.754 -11.660 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.064 -10.328 4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.800 -12.048 4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.754 -10.752 3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.909 -12.111 2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.511 -9.164 2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.518 -10.485 0.956 1.00 0.00 H new ATOM 1239 N ASN A 87 8.524 -8.587 3.685 1.00 0.00 N ATOM 1240 CA ASN A 87 7.991 -7.425 4.348 1.00 0.00 C ATOM 1241 C ASN A 87 7.062 -6.691 3.404 1.00 0.00 C ATOM 1242 O ASN A 87 6.919 -7.080 2.242 1.00 0.00 O ATOM 1243 CB ASN A 87 9.132 -6.504 4.751 1.00 0.00 C ATOM 1244 CG ASN A 87 10.243 -7.221 5.491 1.00 0.00 C ATOM 1245 OD1 ASN A 87 10.202 -7.397 6.706 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.251 -7.623 4.738 1.00 0.00 N ATOM 0 H ASN A 87 8.734 -8.442 2.698 1.00 0.00 H new ATOM 0 HA ASN A 87 7.441 -7.733 5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.543 -6.033 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.741 -5.705 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.044 -8.104 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.236 -7.452 3.733 1.00 0.00 H new ATOM 1253 N ALA A 88 6.458 -5.623 3.879 1.00 0.00 N ATOM 1254 CA ALA A 88 5.567 -4.839 3.051 1.00 0.00 C ATOM 1255 C ALA A 88 5.763 -3.352 3.283 1.00 0.00 C ATOM 1256 O ALA A 88 6.060 -2.917 4.397 1.00 0.00 O ATOM 1257 CB ALA A 88 4.125 -5.224 3.333 1.00 0.00 C ATOM 0 H ALA A 88 6.567 -5.278 4.833 1.00 0.00 H new ATOM 0 HA ALA A 88 5.801 -5.050 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.460 -4.630 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.981 -6.282 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.897 -5.037 4.382 1.00 0.00 H new ATOM 1263 N TYR A 89 5.608 -2.583 2.217 1.00 0.00 N ATOM 1264 CA TYR A 89 5.560 -1.140 2.317 1.00 0.00 C ATOM 1265 C TYR A 89 4.181 -0.789 2.883 1.00 0.00 C ATOM 1266 O TYR A 89 3.170 -0.901 2.182 1.00 0.00 O ATOM 1267 CB TYR A 89 5.751 -0.470 0.934 1.00 0.00 C ATOM 1268 CG TYR A 89 6.879 -0.995 0.063 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.975 -1.678 0.565 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.838 -0.748 -1.299 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.991 -2.092 -0.279 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.832 -1.165 -2.143 1.00 0.00 C ATOM 1273 CZ TYR A 89 8.908 -1.829 -1.637 1.00 0.00 C ATOM 1274 OH TYR A 89 9.919 -2.206 -2.489 1.00 0.00 O ATOM 0 H TYR A 89 5.513 -2.942 1.267 1.00 0.00 H new ATOM 0 HA TYR A 89 6.364 -0.778 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.819 -0.570 0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.914 0.596 1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.037 -1.889 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.996 -0.210 -1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.846 -2.618 0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.763 -0.969 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 89 9.691 -1.942 -3.405 1.00 0.00 H new ATOM 1284 N TYR A 90 4.147 -0.424 4.158 1.00 0.00 N ATOM 1285 CA TYR A 90 2.901 -0.206 4.897 1.00 0.00 C ATOM 1286 C TYR A 90 2.153 -1.527 5.106 1.00 0.00 C ATOM 1287 O TYR A 90 2.755 -2.519 5.515 1.00 0.00 O ATOM 1288 CB TYR A 90 1.998 0.840 4.224 1.00 0.00 C ATOM 1289 CG TYR A 90 1.502 1.886 5.197 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.585 1.569 6.193 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.971 3.183 5.135 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.150 2.524 7.094 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.548 4.142 6.031 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.636 3.811 7.008 1.00 0.00 C ATOM 1295 OH TYR A 90 0.215 4.767 7.904 1.00 0.00 O ATOM 0 H TYR A 90 4.987 -0.269 4.716 1.00 0.00 H new ATOM 0 HA TYR A 90 3.174 0.194 5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.549 1.328 3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.145 0.339 3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.206 0.560 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.684 3.452 4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.566 2.263 7.860 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.931 5.150 5.967 1.00 0.00 H new ATOM 0 HH TYR A 90 0.655 5.619 7.704 1.00 0.00 H new ATOM 1305 N GLU A 91 0.859 -1.552 4.810 1.00 0.00 N ATOM 1306 CA GLU A 91 0.024 -2.711 5.144 1.00 0.00 C ATOM 1307 C GLU A 91 0.127 -3.822 4.095 1.00 0.00 C ATOM 1308 O GLU A 91 -0.516 -4.861 4.219 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.447 -2.299 5.292 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.650 -0.938 5.932 1.00 0.00 C ATOM 1311 CD GLU A 91 -3.022 -0.784 6.560 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.971 -0.387 5.851 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.152 -1.043 7.778 1.00 0.00 O ATOM 0 H GLU A 91 0.364 -0.792 4.343 1.00 0.00 H new ATOM 0 HA GLU A 91 0.398 -3.098 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.913 -2.298 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.965 -3.050 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.887 -0.782 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.511 -0.163 5.179 1.00 0.00 H new ATOM 1320 N GLY A 92 0.942 -3.617 3.072 1.00 0.00 N ATOM 1321 CA GLY A 92 0.970 -4.545 1.959 1.00 0.00 C ATOM 1322 C GLY A 92 0.518 -3.864 0.693 1.00 0.00 C ATOM 1323 O GLY A 92 0.349 -4.498 -0.348 1.00 0.00 O ATOM 0 H GLY A 92 1.583 -2.828 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.979 -4.935 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.324 -5.397 2.172 1.00 0.00 H new ATOM 1327 N VAL A 93 0.319 -2.556 0.811 1.00 0.00 N ATOM 1328 CA VAL A 93 -0.051 -1.708 -0.307 1.00 0.00 C ATOM 1329 C VAL A 93 1.020 -1.782 -1.389 1.00 0.00 C ATOM 1330 O VAL A 93 0.753 -1.617 -2.580 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.211 -0.245 0.174 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.773 0.626 -0.924 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.071 -0.171 1.432 1.00 0.00 C ATOM 0 H VAL A 93 0.412 -2.054 1.694 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.999 -2.054 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 93 0.779 0.135 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.876 1.649 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.099 0.611 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.750 0.248 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.166 0.868 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.060 -0.578 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.602 -0.750 2.228 1.00 0.00 H new ATOM 1343 N PHE A 94 2.243 -2.008 -0.941 1.00 0.00 N ATOM 1344 CA PHE A 94 3.365 -2.237 -1.815 1.00 0.00 C ATOM 1345 C PHE A 94 4.360 -3.171 -1.112 1.00 0.00 C ATOM 1346 O PHE A 94 4.337 -3.270 0.108 1.00 0.00 O ATOM 1347 CB PHE A 94 4.050 -0.921 -2.293 1.00 0.00 C ATOM 1348 CG PHE A 94 3.789 0.414 -1.571 1.00 0.00 C ATOM 1349 CD1 PHE A 94 2.893 0.576 -0.519 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.490 1.539 -1.992 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.703 1.807 0.082 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.301 2.772 -1.394 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.408 2.905 -0.355 1.00 0.00 C ATOM 0 H PHE A 94 2.480 -2.037 0.051 1.00 0.00 H new ATOM 0 HA PHE A 94 2.995 -2.711 -2.724 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.126 -1.093 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.775 -0.779 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.334 -0.277 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.197 1.448 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.000 1.907 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.855 3.631 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.261 3.866 0.115 1.00 0.00 H new ATOM 1363 N CYS A 95 5.195 -3.893 -1.866 1.00 0.00 N ATOM 1364 CA CYS A 95 6.189 -4.804 -1.268 1.00 0.00 C ATOM 1365 C CYS A 95 7.474 -4.794 -2.108 1.00 0.00 C ATOM 1366 O CYS A 95 7.461 -4.347 -3.253 1.00 0.00 O ATOM 1367 CB CYS A 95 5.656 -6.250 -1.158 1.00 0.00 C ATOM 1368 SG CYS A 95 3.884 -6.397 -0.719 1.00 0.00 S ATOM 0 H CYS A 95 5.207 -3.868 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 95 6.397 -4.447 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.821 -6.754 -2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.244 -6.781 -0.410 1.00 0.00 H new ATOM 1373 N SER A 96 8.585 -5.282 -1.540 1.00 0.00 N ATOM 1374 CA SER A 96 9.886 -5.215 -2.221 1.00 0.00 C ATOM 1375 C SER A 96 10.405 -6.589 -2.583 1.00 0.00 C ATOM 1376 O SER A 96 10.609 -7.431 -1.709 1.00 0.00 O ATOM 1377 CB SER A 96 10.931 -4.542 -1.335 1.00 0.00 C ATOM 1378 OG SER A 96 12.094 -4.207 -2.070 1.00 0.00 O ATOM 0 H SER A 96 8.610 -5.723 -0.621 1.00 0.00 H new ATOM 0 HA SER A 96 9.725 -4.635 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.508 -3.641 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.197 -5.208 -0.514 1.00 0.00 H new ATOM 0 HG SER A 96 11.949 -3.362 -2.544 1.00 0.00 H new ATOM 1384 N SER A 97 10.657 -6.799 -3.863 1.00 0.00 N ATOM 1385 CA SER A 97 11.263 -8.035 -4.317 1.00 0.00 C ATOM 1386 C SER A 97 12.758 -7.836 -4.527 1.00 0.00 C ATOM 1387 O SER A 97 13.265 -7.924 -5.647 1.00 0.00 O ATOM 1388 CB SER A 97 10.631 -8.500 -5.618 1.00 0.00 C ATOM 1389 OG SER A 97 9.219 -8.582 -5.511 1.00 0.00 O ATOM 0 H SER A 97 10.451 -6.130 -4.605 1.00 0.00 H new ATOM 0 HA SER A 97 11.097 -8.795 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.897 -7.810 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.033 -9.476 -5.891 1.00 0.00 H new ATOM 0 HG SER A 97 8.843 -8.882 -6.365 1.00 0.00 H new ATOM 1395 N SER A 98 13.446 -7.536 -3.449 1.00 0.00 N ATOM 1396 CA SER A 98 14.875 -7.244 -3.503 1.00 0.00 C ATOM 1397 C SER A 98 15.541 -7.510 -2.151 1.00 0.00 C ATOM 1398 O SER A 98 16.403 -6.749 -1.715 1.00 0.00 O ATOM 1399 CB SER A 98 15.099 -5.778 -3.904 1.00 0.00 C ATOM 1400 OG SER A 98 14.405 -5.458 -5.100 1.00 0.00 O ATOM 0 H SER A 98 13.042 -7.486 -2.514 1.00 0.00 H new ATOM 0 HA SER A 98 15.325 -7.900 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.763 -5.123 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.165 -5.595 -4.040 1.00 0.00 H new ATOM 0 HG SER A 98 14.565 -4.519 -5.330 1.00 0.00 H new ATOM 1406 N SER A 99 15.158 -8.596 -1.499 1.00 0.00 N ATOM 1407 CA SER A 99 15.686 -8.906 -0.180 1.00 0.00 C ATOM 1408 C SER A 99 16.734 -10.008 -0.280 1.00 0.00 C ATOM 1409 O SER A 99 17.891 -9.769 0.114 1.00 0.00 O ATOM 1410 CB SER A 99 14.547 -9.294 0.773 1.00 0.00 C ATOM 1411 OG SER A 99 13.843 -10.436 0.317 1.00 0.00 O ATOM 1412 OXT SER A 99 16.412 -11.092 -0.811 1.00 0.00 O ATOM 0 H SER A 99 14.487 -9.275 -1.859 1.00 0.00 H new ATOM 0 HA SER A 99 16.171 -8.020 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.954 -9.491 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.856 -8.457 0.873 1.00 0.00 H new ATOM 0 HG SER A 99 13.306 -10.198 -0.467 1.00 0.00 H new TER 1418 SER A 99