USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 832 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 Single : A 1 VAL N :NH3+ 149:sc= -0.138 (180deg=-1.63!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 10 SER OG : rot 180:sc=-0.000542 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 14 HIS : no HD1:sc= -11.2! C(o=-11!,f=-15!) USER MOD Single : A 15 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -165:sc= -1.28! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= -0.902 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.207 USER MOD Single : A 29 TYR OH : rot 180:sc= -2.12! USER MOD Single : A 30 SER OG : rot -170:sc= 0.148 USER MOD Single : A 32 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0928 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -84:sc= -3.7! USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.134 USER MOD Single : A 46 SER OG : rot 180:sc= -0.224 USER MOD Single : A 51 SER OG : rot 180:sc= -0.102 USER MOD Single : A 55 THR OG1 : rot 176:sc= -6.33! USER MOD Single : A 57 GLN : amide:sc= -2.3! C(o=-2.3!,f=-1.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -4.17! C(o=-4.2!,f=-8.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0512 K(o=-0.051,f=-1.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.165 USER MOD Single : A 73 SER OG : rot -160:sc= -1.37 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 42:sc= 0.098 USER MOD Single : A 79 TYR OH : rot -11:sc= -1.76! USER MOD Single : A 80 SER OG : rot 180:sc= -0.0851 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.61! C(o=-2.6!,f=-10!) USER MOD Single : A 84 ASN : amide:sc= -2.1 K(o=-2.1,f=-1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -63:sc= 1.11 USER MOD Single : A 98 SER OG : rot 48:sc= -1.11 USER MOD Single : A 99 SER OG : rot 180:sc= -0.554! USER MOD Single : A 100 SER OG : rot -2:sc= 0.939 USER MOD Single : A 101 SER OG : rot 112:sc= 0.0454 USER MOD Single : A 102 THR OG1 : rot 180:sc= -1.03! USER MOD Single : A 104 SER OG : rot 180:sc= -1.64 USER MOD Single : A 107 ASN : amide:sc= -0.494 K(o=-0.49,f=-2.9) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.2! USER MOD Single : A 110 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.00841) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 26.047 -8.927 35.986 1.00 0.00 N ATOM 2 CA VAL A 1 25.703 -8.460 34.612 1.00 0.00 C ATOM 3 C VAL A 1 25.620 -9.652 33.654 1.00 0.00 C ATOM 4 O VAL A 1 26.006 -10.756 33.986 1.00 0.00 O ATOM 5 CB VAL A 1 26.847 -7.528 34.215 1.00 0.00 C ATOM 6 CG1 VAL A 1 28.177 -8.274 34.334 1.00 0.00 C ATOM 7 CG2 VAL A 1 26.646 -7.064 32.769 1.00 0.00 C ATOM 0 H1 VAL A 1 26.595 -8.191 36.476 1.00 0.00 H new ATOM 0 H2 VAL A 1 25.173 -9.118 36.517 1.00 0.00 H new ATOM 0 H3 VAL A 1 26.613 -9.798 35.925 1.00 0.00 H new ATOM 0 HA VAL A 1 24.737 -7.957 34.574 1.00 0.00 H new ATOM 0 HB VAL A 1 26.858 -6.661 34.876 1.00 0.00 H new ATOM 0 HG11 VAL A 1 28.993 -7.610 34.051 1.00 0.00 H new ATOM 0 HG12 VAL A 1 28.318 -8.604 35.363 1.00 0.00 H new ATOM 0 HG13 VAL A 1 28.169 -9.141 33.673 1.00 0.00 H new ATOM 0 HG21 VAL A 1 27.461 -6.399 32.484 1.00 0.00 H new ATOM 0 HG22 VAL A 1 26.636 -7.930 32.107 1.00 0.00 H new ATOM 0 HG23 VAL A 1 25.698 -6.532 32.686 1.00 0.00 H new ATOM 19 N LYS A 2 25.117 -9.440 32.468 1.00 0.00 N ATOM 20 CA LYS A 2 25.007 -10.562 31.491 1.00 0.00 C ATOM 21 C LYS A 2 24.877 -10.019 30.070 1.00 0.00 C ATOM 22 O LYS A 2 24.912 -8.827 29.838 1.00 0.00 O ATOM 23 CB LYS A 2 23.735 -11.314 31.888 1.00 0.00 C ATOM 24 CG LYS A 2 22.541 -10.359 31.834 1.00 0.00 C ATOM 25 CD LYS A 2 21.446 -10.852 32.782 1.00 0.00 C ATOM 26 CE LYS A 2 20.715 -12.036 32.146 1.00 0.00 C ATOM 27 NZ LYS A 2 19.339 -11.987 32.714 1.00 0.00 N ATOM 0 H LYS A 2 24.777 -8.538 32.133 1.00 0.00 H new ATOM 0 HA LYS A 2 25.887 -11.205 31.508 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.572 -12.156 31.215 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.841 -11.725 32.892 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.854 -9.353 32.115 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.155 -10.300 30.816 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.883 -11.150 33.735 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.742 -10.047 32.992 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.697 -11.952 31.059 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.208 -12.979 32.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.775 -12.769 32.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.387 -12.076 33.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.893 -11.081 32.465 1.00 0.00 H new ATOM 41 N CYS A 3 24.727 -10.894 29.120 1.00 0.00 N ATOM 42 CA CYS A 3 24.591 -10.455 27.702 1.00 0.00 C ATOM 43 C CYS A 3 23.429 -11.196 27.039 1.00 0.00 C ATOM 44 O CYS A 3 23.620 -12.170 26.345 1.00 0.00 O ATOM 45 CB CYS A 3 25.916 -10.840 27.044 1.00 0.00 C ATOM 46 SG CYS A 3 26.987 -9.386 26.945 1.00 0.00 S ATOM 0 H CYS A 3 24.692 -11.903 29.263 1.00 0.00 H new ATOM 0 HA CYS A 3 24.386 -9.388 27.612 1.00 0.00 H new ATOM 0 HB2 CYS A 3 26.405 -11.626 27.619 1.00 0.00 H new ATOM 0 HB3 CYS A 3 25.736 -11.240 26.046 1.00 0.00 H new ATOM 51 N GLN A 4 22.224 -10.753 27.249 1.00 0.00 N ATOM 52 CA GLN A 4 21.070 -11.460 26.627 1.00 0.00 C ATOM 53 C GLN A 4 21.154 -11.382 25.106 1.00 0.00 C ATOM 54 O GLN A 4 22.055 -10.789 24.548 1.00 0.00 O ATOM 55 CB GLN A 4 19.823 -10.749 27.140 1.00 0.00 C ATOM 56 CG GLN A 4 19.530 -11.216 28.568 1.00 0.00 C ATOM 57 CD GLN A 4 18.366 -10.407 29.143 1.00 0.00 C ATOM 58 OE1 GLN A 4 18.549 -9.292 29.591 1.00 0.00 O ATOM 59 NE2 GLN A 4 17.169 -10.924 29.150 1.00 0.00 N ATOM 0 H GLN A 4 21.987 -9.940 27.818 1.00 0.00 H new ATOM 0 HA GLN A 4 21.057 -12.519 26.886 1.00 0.00 H new ATOM 0 HB2 GLN A 4 19.971 -9.669 27.121 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.974 -10.966 26.492 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.285 -12.278 28.571 1.00 0.00 H new ATOM 0 HG3 GLN A 4 20.416 -11.092 29.191 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.015 -11.860 28.774 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.386 -10.393 29.531 1.00 0.00 H new ATOM 68 N SER A 5 20.219 -11.986 24.432 1.00 0.00 N ATOM 69 CA SER A 5 20.240 -11.959 22.942 1.00 0.00 C ATOM 70 C SER A 5 20.510 -10.536 22.451 1.00 0.00 C ATOM 71 O SER A 5 20.068 -9.577 23.052 1.00 0.00 O ATOM 72 CB SER A 5 18.853 -12.433 22.511 1.00 0.00 C ATOM 73 OG SER A 5 17.949 -11.335 22.543 1.00 0.00 O ATOM 0 H SER A 5 19.440 -12.498 24.846 1.00 0.00 H new ATOM 0 HA SER A 5 21.023 -12.592 22.525 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.896 -12.854 21.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.505 -13.225 23.174 1.00 0.00 H new ATOM 0 HG SER A 5 17.059 -11.636 22.265 1.00 0.00 H new ATOM 79 N PRO A 6 21.246 -10.450 21.378 1.00 0.00 N ATOM 80 CA PRO A 6 21.603 -9.132 20.800 1.00 0.00 C ATOM 81 C PRO A 6 20.405 -8.495 20.093 1.00 0.00 C ATOM 82 O PRO A 6 19.540 -9.181 19.595 1.00 0.00 O ATOM 83 CB PRO A 6 22.699 -9.472 19.798 1.00 0.00 C ATOM 84 CG PRO A 6 22.468 -10.898 19.423 1.00 0.00 C ATOM 85 CD PRO A 6 21.809 -11.565 20.606 1.00 0.00 C ATOM 0 HA PRO A 6 21.918 -8.412 21.555 1.00 0.00 H new ATOM 0 HB2 PRO A 6 22.647 -8.823 18.924 1.00 0.00 H new ATOM 0 HB3 PRO A 6 23.688 -9.337 20.237 1.00 0.00 H new ATOM 0 HG2 PRO A 6 21.834 -10.966 18.539 1.00 0.00 H new ATOM 0 HG3 PRO A 6 23.410 -11.390 19.178 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.033 -12.262 20.289 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.529 -12.134 21.195 1.00 0.00 H new ATOM 93 N PRO A 7 20.402 -7.192 20.066 1.00 0.00 N ATOM 94 CA PRO A 7 19.304 -6.453 19.401 1.00 0.00 C ATOM 95 C PRO A 7 19.443 -6.567 17.882 1.00 0.00 C ATOM 96 O PRO A 7 20.432 -7.059 17.375 1.00 0.00 O ATOM 97 CB PRO A 7 19.505 -5.014 19.867 1.00 0.00 C ATOM 98 CG PRO A 7 20.956 -4.917 20.219 1.00 0.00 C ATOM 99 CD PRO A 7 21.405 -6.293 20.646 1.00 0.00 C ATOM 0 HA PRO A 7 18.312 -6.833 19.647 1.00 0.00 H new ATOM 0 HB2 PRO A 7 19.242 -4.305 19.082 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.875 -4.786 20.727 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.537 -4.571 19.364 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.110 -4.196 21.022 1.00 0.00 H new ATOM 0 HD2 PRO A 7 22.405 -6.519 20.275 1.00 0.00 H new ATOM 0 HD3 PRO A 7 21.440 -6.382 21.732 1.00 0.00 H new ATOM 107 N SER A 8 18.463 -6.120 17.150 1.00 0.00 N ATOM 108 CA SER A 8 18.548 -6.207 15.665 1.00 0.00 C ATOM 109 C SER A 8 19.608 -5.239 15.145 1.00 0.00 C ATOM 110 O SER A 8 20.189 -4.479 15.894 1.00 0.00 O ATOM 111 CB SER A 8 17.164 -5.804 15.162 1.00 0.00 C ATOM 112 OG SER A 8 16.719 -4.658 15.877 1.00 0.00 O ATOM 0 H SER A 8 17.608 -5.699 17.514 1.00 0.00 H new ATOM 0 HA SER A 8 18.829 -7.204 15.325 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.201 -5.589 14.094 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.462 -6.627 15.297 1.00 0.00 H new ATOM 0 HG SER A 8 15.831 -4.396 15.555 1.00 0.00 H new ATOM 118 N ILE A 9 19.861 -5.256 13.868 1.00 0.00 N ATOM 119 CA ILE A 9 20.884 -4.327 13.305 1.00 0.00 C ATOM 120 C ILE A 9 20.463 -3.802 11.950 1.00 0.00 C ATOM 121 O ILE A 9 19.343 -3.970 11.509 1.00 0.00 O ATOM 122 CB ILE A 9 22.186 -5.114 13.152 1.00 0.00 C ATOM 123 CG1 ILE A 9 21.915 -6.599 12.883 1.00 0.00 C ATOM 124 CG2 ILE A 9 23.009 -4.952 14.415 1.00 0.00 C ATOM 125 CD1 ILE A 9 22.695 -7.026 11.638 1.00 0.00 C ATOM 0 H ILE A 9 19.408 -5.869 13.190 1.00 0.00 H new ATOM 0 HA ILE A 9 21.005 -3.474 13.973 1.00 0.00 H new ATOM 0 HB ILE A 9 22.735 -4.722 12.296 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.217 -7.199 13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 9 20.848 -6.767 12.736 1.00 0.00 H new ATOM 0 HG21 ILE A 9 23.940 -5.510 14.316 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.233 -3.897 14.571 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.446 -5.333 15.267 1.00 0.00 H new ATOM 0 HD11 ILE A 9 22.510 -8.081 11.437 1.00 0.00 H new ATOM 0 HD12 ILE A 9 22.371 -6.431 10.784 1.00 0.00 H new ATOM 0 HD13 ILE A 9 23.761 -6.870 11.805 1.00 0.00 H new ATOM 137 N SER A 10 21.371 -3.149 11.298 1.00 0.00 N ATOM 138 CA SER A 10 21.068 -2.576 9.970 1.00 0.00 C ATOM 139 C SER A 10 20.460 -3.635 9.045 1.00 0.00 C ATOM 140 O SER A 10 21.161 -4.436 8.459 1.00 0.00 O ATOM 141 CB SER A 10 22.412 -2.097 9.428 1.00 0.00 C ATOM 142 OG SER A 10 22.339 -2.009 8.011 1.00 0.00 O ATOM 0 H SER A 10 22.321 -2.986 11.632 1.00 0.00 H new ATOM 0 HA SER A 10 20.340 -1.767 10.034 1.00 0.00 H new ATOM 0 HB2 SER A 10 22.663 -1.125 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 10 23.203 -2.787 9.721 1.00 0.00 H new ATOM 0 HG SER A 10 23.199 -1.700 7.658 1.00 0.00 H new ATOM 148 N ASN A 11 19.163 -3.639 8.902 1.00 0.00 N ATOM 149 CA ASN A 11 18.511 -4.639 8.007 1.00 0.00 C ATOM 150 C ASN A 11 19.155 -6.018 8.178 1.00 0.00 C ATOM 151 O ASN A 11 19.644 -6.605 7.233 1.00 0.00 O ATOM 152 CB ASN A 11 18.749 -4.111 6.592 1.00 0.00 C ATOM 153 CG ASN A 11 17.462 -3.477 6.061 1.00 0.00 C ATOM 154 OD1 ASN A 11 16.787 -2.759 6.771 1.00 0.00 O ATOM 155 ND2 ASN A 11 17.091 -3.715 4.833 1.00 0.00 N ATOM 0 H ASN A 11 18.525 -2.993 9.366 1.00 0.00 H new ATOM 0 HA ASN A 11 17.451 -4.759 8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.554 -3.376 6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.064 -4.924 5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.234 -3.298 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 11 17.658 -4.318 4.237 1.00 0.00 H new ATOM 162 N GLY A 12 19.157 -6.544 9.373 1.00 0.00 N ATOM 163 CA GLY A 12 19.768 -7.887 9.592 1.00 0.00 C ATOM 164 C GLY A 12 19.303 -8.454 10.936 1.00 0.00 C ATOM 165 O GLY A 12 19.049 -7.725 11.875 1.00 0.00 O ATOM 0 H GLY A 12 18.763 -6.104 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.485 -8.562 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 12 20.855 -7.809 9.576 1.00 0.00 H new ATOM 169 N ARG A 13 19.189 -9.751 11.034 1.00 0.00 N ATOM 170 CA ARG A 13 18.739 -10.371 12.318 1.00 0.00 C ATOM 171 C ARG A 13 19.941 -10.857 13.114 1.00 0.00 C ATOM 172 O ARG A 13 21.079 -10.679 12.726 1.00 0.00 O ATOM 173 CB ARG A 13 17.856 -11.573 11.938 1.00 0.00 C ATOM 174 CG ARG A 13 17.295 -11.404 10.527 1.00 0.00 C ATOM 175 CD ARG A 13 15.935 -12.099 10.427 1.00 0.00 C ATOM 176 NE ARG A 13 14.959 -11.003 10.176 1.00 0.00 N ATOM 177 CZ ARG A 13 14.070 -10.702 11.082 1.00 0.00 C ATOM 178 NH1 ARG A 13 14.451 -10.369 12.285 1.00 0.00 N ATOM 179 NH2 ARG A 13 12.800 -10.736 10.787 1.00 0.00 N ATOM 0 H ARG A 13 19.388 -10.410 10.281 1.00 0.00 H new ATOM 0 HA ARG A 13 18.196 -9.651 12.930 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.439 -12.492 11.996 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.038 -11.670 12.651 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.191 -10.345 10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.985 -11.827 9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.924 -12.830 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.698 -12.636 11.345 1.00 0.00 H new ATOM 0 HE ARG A 13 14.985 -10.488 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.444 -10.344 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.756 -10.134 12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.501 -10.998 9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.105 -10.501 11.496 1.00 0.00 H new ATOM 193 N HIS A 14 19.689 -11.475 14.226 1.00 0.00 N ATOM 194 CA HIS A 14 20.803 -11.988 15.065 1.00 0.00 C ATOM 195 C HIS A 14 20.396 -13.314 15.714 1.00 0.00 C ATOM 196 O HIS A 14 19.281 -13.474 16.169 1.00 0.00 O ATOM 197 CB HIS A 14 21.017 -10.908 16.120 1.00 0.00 C ATOM 198 CG HIS A 14 19.888 -10.941 17.109 1.00 0.00 C ATOM 199 ND1 HIS A 14 19.925 -11.742 18.236 1.00 0.00 N ATOM 200 CD2 HIS A 14 18.704 -10.251 17.177 1.00 0.00 C ATOM 201 CE1 HIS A 14 18.808 -11.511 18.937 1.00 0.00 C ATOM 202 NE2 HIS A 14 18.022 -10.611 18.335 1.00 0.00 N ATOM 0 H HIS A 14 18.754 -11.649 14.594 1.00 0.00 H new ATOM 0 HA HIS A 14 21.711 -12.183 14.494 1.00 0.00 H new ATOM 0 HB2 HIS A 14 21.967 -11.067 16.631 1.00 0.00 H new ATOM 0 HB3 HIS A 14 21.071 -9.928 15.646 1.00 0.00 H new ATOM 0 HD2 HIS A 14 18.355 -9.538 16.444 1.00 0.00 H new ATOM 0 HE1 HIS A 14 18.570 -11.992 19.874 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.118 -10.264 18.656 1.00 0.00 H new ATOM 210 N ASN A 15 21.286 -14.268 15.759 1.00 0.00 N ATOM 211 CA ASN A 15 20.935 -15.579 16.378 1.00 0.00 C ATOM 212 C ASN A 15 22.196 -16.414 16.612 1.00 0.00 C ATOM 213 O ASN A 15 23.230 -15.901 16.991 1.00 0.00 O ATOM 214 CB ASN A 15 20.019 -16.263 15.363 1.00 0.00 C ATOM 215 CG ASN A 15 18.942 -17.061 16.101 1.00 0.00 C ATOM 216 OD1 ASN A 15 19.025 -17.254 17.297 1.00 0.00 O ATOM 217 ND2 ASN A 15 17.927 -17.537 15.432 1.00 0.00 N ATOM 0 H ASN A 15 22.237 -14.198 15.396 1.00 0.00 H new ATOM 0 HA ASN A 15 20.453 -15.459 17.348 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.555 -15.518 14.716 1.00 0.00 H new ATOM 0 HB3 ASN A 15 20.600 -16.925 14.721 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.204 -18.071 15.914 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.857 -17.375 14.427 1.00 0.00 H new ATOM 224 N GLY A 16 22.118 -17.698 16.391 1.00 0.00 N ATOM 225 CA GLY A 16 23.311 -18.565 16.605 1.00 0.00 C ATOM 226 C GLY A 16 23.034 -19.535 17.754 1.00 0.00 C ATOM 227 O GLY A 16 23.906 -19.845 18.541 1.00 0.00 O ATOM 0 H GLY A 16 21.280 -18.184 16.072 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.540 -19.119 15.694 1.00 0.00 H new ATOM 0 HA3 GLY A 16 24.183 -17.953 16.834 1.00 0.00 H new ATOM 231 N TYR A 17 21.825 -20.014 17.856 1.00 0.00 N ATOM 232 CA TYR A 17 21.487 -20.962 18.956 1.00 0.00 C ATOM 233 C TYR A 17 21.876 -20.363 20.309 1.00 0.00 C ATOM 234 O TYR A 17 22.489 -21.013 21.132 1.00 0.00 O ATOM 235 CB TYR A 17 22.314 -22.214 18.670 1.00 0.00 C ATOM 236 CG TYR A 17 21.709 -22.959 17.506 1.00 0.00 C ATOM 237 CD1 TYR A 17 22.066 -22.618 16.197 1.00 0.00 C ATOM 238 CD2 TYR A 17 20.791 -23.990 17.736 1.00 0.00 C ATOM 239 CE1 TYR A 17 21.504 -23.308 15.116 1.00 0.00 C ATOM 240 CE2 TYR A 17 20.229 -24.681 16.656 1.00 0.00 C ATOM 241 CZ TYR A 17 20.586 -24.340 15.346 1.00 0.00 C ATOM 242 OH TYR A 17 20.033 -25.022 14.281 1.00 0.00 O ATOM 0 H TYR A 17 21.056 -19.790 17.225 1.00 0.00 H new ATOM 0 HA TYR A 17 20.420 -21.179 18.998 1.00 0.00 H new ATOM 0 HB2 TYR A 17 23.344 -21.939 18.444 1.00 0.00 H new ATOM 0 HB3 TYR A 17 22.341 -22.855 19.551 1.00 0.00 H new ATOM 0 HD1 TYR A 17 22.775 -21.823 16.020 1.00 0.00 H new ATOM 0 HD2 TYR A 17 20.516 -24.253 18.747 1.00 0.00 H new ATOM 0 HE1 TYR A 17 21.778 -23.044 14.105 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.521 -25.477 16.833 1.00 0.00 H new ATOM 0 HH TYR A 17 19.417 -25.707 14.615 1.00 0.00 H new ATOM 252 N GLU A 18 21.523 -19.130 20.547 1.00 0.00 N ATOM 253 CA GLU A 18 21.872 -18.495 21.847 1.00 0.00 C ATOM 254 C GLU A 18 20.610 -18.283 22.677 1.00 0.00 C ATOM 255 O GLU A 18 19.593 -18.908 22.451 1.00 0.00 O ATOM 256 CB GLU A 18 22.490 -17.150 21.478 1.00 0.00 C ATOM 257 CG GLU A 18 21.508 -16.357 20.612 1.00 0.00 C ATOM 258 CD GLU A 18 21.212 -15.010 21.274 1.00 0.00 C ATOM 259 OE1 GLU A 18 22.145 -14.249 21.468 1.00 0.00 O ATOM 260 OE2 GLU A 18 20.055 -14.762 21.574 1.00 0.00 O ATOM 0 H GLU A 18 21.008 -18.536 19.897 1.00 0.00 H new ATOM 0 HA GLU A 18 22.551 -19.109 22.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 22.731 -16.588 22.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 23.425 -17.303 20.939 1.00 0.00 H new ATOM 0 HG2 GLU A 18 21.928 -16.201 19.618 1.00 0.00 H new ATOM 0 HG3 GLU A 18 20.584 -16.921 20.483 1.00 0.00 H new ATOM 267 N ASP A 19 20.664 -17.400 23.632 1.00 0.00 N ATOM 268 CA ASP A 19 19.461 -17.146 24.467 1.00 0.00 C ATOM 269 C ASP A 19 19.792 -16.174 25.599 1.00 0.00 C ATOM 270 O ASP A 19 18.941 -15.448 26.072 1.00 0.00 O ATOM 271 CB ASP A 19 19.067 -18.512 25.029 1.00 0.00 C ATOM 272 CG ASP A 19 17.593 -18.785 24.727 1.00 0.00 C ATOM 273 OD1 ASP A 19 16.755 -18.152 25.348 1.00 0.00 O ATOM 274 OD2 ASP A 19 17.327 -19.622 23.880 1.00 0.00 O ATOM 0 H ASP A 19 21.486 -16.845 23.870 1.00 0.00 H new ATOM 0 HA ASP A 19 18.652 -16.695 23.892 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.689 -19.291 24.588 1.00 0.00 H new ATOM 0 HB3 ASP A 19 19.239 -18.537 26.105 1.00 0.00 H new ATOM 279 N PHE A 20 21.020 -16.150 26.039 1.00 0.00 N ATOM 280 CA PHE A 20 21.382 -15.216 27.140 1.00 0.00 C ATOM 281 C PHE A 20 22.904 -15.082 27.259 1.00 0.00 C ATOM 282 O PHE A 20 23.478 -15.292 28.310 1.00 0.00 O ATOM 283 CB PHE A 20 20.780 -15.836 28.403 1.00 0.00 C ATOM 284 CG PHE A 20 21.643 -16.978 28.880 1.00 0.00 C ATOM 285 CD1 PHE A 20 21.817 -18.109 28.076 1.00 0.00 C ATOM 286 CD2 PHE A 20 22.270 -16.902 30.129 1.00 0.00 C ATOM 287 CE1 PHE A 20 22.618 -19.166 28.521 1.00 0.00 C ATOM 288 CE2 PHE A 20 23.071 -17.958 30.575 1.00 0.00 C ATOM 289 CZ PHE A 20 23.246 -19.091 29.771 1.00 0.00 C ATOM 0 H PHE A 20 21.781 -16.731 25.687 1.00 0.00 H new ATOM 0 HA PHE A 20 21.002 -14.209 26.966 1.00 0.00 H new ATOM 0 HB2 PHE A 20 20.697 -15.081 29.185 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.771 -16.193 28.197 1.00 0.00 H new ATOM 0 HD1 PHE A 20 21.333 -18.166 27.112 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.135 -16.028 30.748 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.752 -20.040 27.901 1.00 0.00 H new ATOM 0 HE2 PHE A 20 23.554 -17.900 31.539 1.00 0.00 H new ATOM 0 HZ PHE A 20 23.865 -19.907 30.114 1.00 0.00 H new ATOM 299 N TYR A 21 23.562 -14.727 26.190 1.00 0.00 N ATOM 300 CA TYR A 21 25.043 -14.575 26.245 1.00 0.00 C ATOM 301 C TYR A 21 25.454 -13.834 27.525 1.00 0.00 C ATOM 302 O TYR A 21 24.658 -13.161 28.148 1.00 0.00 O ATOM 303 CB TYR A 21 25.403 -13.784 24.990 1.00 0.00 C ATOM 304 CG TYR A 21 25.417 -14.736 23.823 1.00 0.00 C ATOM 305 CD1 TYR A 21 26.215 -15.883 23.877 1.00 0.00 C ATOM 306 CD2 TYR A 21 24.630 -14.482 22.695 1.00 0.00 C ATOM 307 CE1 TYR A 21 26.232 -16.775 22.802 1.00 0.00 C ATOM 308 CE2 TYR A 21 24.646 -15.374 21.618 1.00 0.00 C ATOM 309 CZ TYR A 21 25.448 -16.522 21.671 1.00 0.00 C ATOM 310 OH TYR A 21 25.467 -17.403 20.609 1.00 0.00 O ATOM 0 H TYR A 21 23.139 -14.536 25.282 1.00 0.00 H new ATOM 0 HA TYR A 21 25.565 -15.532 26.272 1.00 0.00 H new ATOM 0 HB2 TYR A 21 24.679 -12.987 24.822 1.00 0.00 H new ATOM 0 HB3 TYR A 21 26.378 -13.310 25.106 1.00 0.00 H new ATOM 0 HD1 TYR A 21 26.819 -16.079 24.751 1.00 0.00 H new ATOM 0 HD2 TYR A 21 24.011 -13.598 22.656 1.00 0.00 H new ATOM 0 HE1 TYR A 21 26.850 -17.660 22.844 1.00 0.00 H new ATOM 0 HE2 TYR A 21 24.040 -15.178 20.746 1.00 0.00 H new ATOM 0 HH TYR A 21 25.069 -16.976 19.822 1.00 0.00 H new ATOM 320 N THR A 22 26.686 -13.967 27.935 1.00 0.00 N ATOM 321 CA THR A 22 27.133 -13.281 29.185 1.00 0.00 C ATOM 322 C THR A 22 28.357 -12.417 28.913 1.00 0.00 C ATOM 323 O THR A 22 28.345 -11.219 29.114 1.00 0.00 O ATOM 324 CB THR A 22 27.481 -14.412 30.154 1.00 0.00 C ATOM 325 OG1 THR A 22 26.701 -15.558 29.841 1.00 0.00 O ATOM 326 CG2 THR A 22 27.185 -13.967 31.586 1.00 0.00 C ATOM 0 H THR A 22 27.402 -14.519 27.462 1.00 0.00 H new ATOM 0 HA THR A 22 26.365 -12.619 29.585 1.00 0.00 H new ATOM 0 HB THR A 22 28.539 -14.657 30.063 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.924 -16.284 30.460 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.433 -14.773 32.276 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.783 -13.088 31.825 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.127 -13.722 31.680 1.00 0.00 H new ATOM 334 N ASP A 23 29.414 -13.017 28.466 1.00 0.00 N ATOM 335 CA ASP A 23 30.648 -12.239 28.189 1.00 0.00 C ATOM 336 C ASP A 23 31.617 -13.089 27.368 1.00 0.00 C ATOM 337 O ASP A 23 31.747 -14.278 27.581 1.00 0.00 O ATOM 338 CB ASP A 23 31.215 -11.930 29.573 1.00 0.00 C ATOM 339 CG ASP A 23 32.695 -11.560 29.457 1.00 0.00 C ATOM 340 OD1 ASP A 23 33.053 -10.927 28.476 1.00 0.00 O ATOM 341 OD2 ASP A 23 33.447 -11.915 30.350 1.00 0.00 O ATOM 0 H ASP A 23 29.480 -14.017 28.279 1.00 0.00 H new ATOM 0 HA ASP A 23 30.468 -11.331 27.614 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.660 -11.109 30.028 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.097 -12.795 30.226 1.00 0.00 H new ATOM 346 N GLY A 24 32.287 -12.497 26.419 1.00 0.00 N ATOM 347 CA GLY A 24 33.228 -13.286 25.578 1.00 0.00 C ATOM 348 C GLY A 24 32.415 -14.139 24.606 1.00 0.00 C ATOM 349 O GLY A 24 32.907 -15.090 24.032 1.00 0.00 O ATOM 0 H GLY A 24 32.224 -11.505 26.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 33.895 -12.620 25.030 1.00 0.00 H new ATOM 0 HA3 GLY A 24 33.855 -13.920 26.205 1.00 0.00 H new ATOM 353 N SER A 25 31.167 -13.802 24.421 1.00 0.00 N ATOM 354 CA SER A 25 30.306 -14.586 23.489 1.00 0.00 C ATOM 355 C SER A 25 30.249 -13.896 22.128 1.00 0.00 C ATOM 356 O SER A 25 30.658 -12.762 21.983 1.00 0.00 O ATOM 357 CB SER A 25 28.925 -14.590 24.140 1.00 0.00 C ATOM 358 OG SER A 25 28.845 -15.665 25.066 1.00 0.00 O ATOM 0 H SER A 25 30.705 -13.015 24.877 1.00 0.00 H new ATOM 0 HA SER A 25 30.683 -15.595 23.323 1.00 0.00 H new ATOM 0 HB2 SER A 25 28.748 -13.643 24.649 1.00 0.00 H new ATOM 0 HB3 SER A 25 28.152 -14.693 23.379 1.00 0.00 H new ATOM 0 HG SER A 25 28.365 -15.371 25.868 1.00 0.00 H new ATOM 364 N VAL A 26 29.740 -14.560 21.128 1.00 0.00 N ATOM 365 CA VAL A 26 29.663 -13.909 19.795 1.00 0.00 C ATOM 366 C VAL A 26 28.320 -14.189 19.123 1.00 0.00 C ATOM 367 O VAL A 26 27.635 -15.139 19.446 1.00 0.00 O ATOM 368 CB VAL A 26 30.806 -14.496 18.975 1.00 0.00 C ATOM 369 CG1 VAL A 26 30.672 -14.021 17.530 1.00 0.00 C ATOM 370 CG2 VAL A 26 32.141 -14.009 19.539 1.00 0.00 C ATOM 0 H VAL A 26 29.379 -15.513 21.176 1.00 0.00 H new ATOM 0 HA VAL A 26 29.746 -12.826 19.882 1.00 0.00 H new ATOM 0 HB VAL A 26 30.768 -15.585 19.017 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.485 -14.435 16.934 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.717 -14.356 17.124 1.00 0.00 H new ATOM 0 HG13 VAL A 26 30.718 -12.932 17.499 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.958 -14.429 18.953 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.181 -12.921 19.491 1.00 0.00 H new ATOM 0 HG23 VAL A 26 32.236 -14.330 20.576 1.00 0.00 H new ATOM 380 N VAL A 27 27.940 -13.363 18.186 1.00 0.00 N ATOM 381 CA VAL A 27 26.642 -13.573 17.489 1.00 0.00 C ATOM 382 C VAL A 27 26.746 -13.198 16.027 1.00 0.00 C ATOM 383 O VAL A 27 26.788 -12.034 15.681 1.00 0.00 O ATOM 384 CB VAL A 27 25.658 -12.642 18.176 1.00 0.00 C ATOM 385 CG1 VAL A 27 24.387 -12.514 17.334 1.00 0.00 C ATOM 386 CG2 VAL A 27 25.301 -13.229 19.517 1.00 0.00 C ATOM 0 H VAL A 27 28.474 -12.552 17.874 1.00 0.00 H new ATOM 0 HA VAL A 27 26.336 -14.618 17.537 1.00 0.00 H new ATOM 0 HB VAL A 27 26.108 -11.657 18.297 1.00 0.00 H new ATOM 0 HG11 VAL A 27 23.686 -11.845 17.833 1.00 0.00 H new ATOM 0 HG12 VAL A 27 24.639 -12.110 16.354 1.00 0.00 H new ATOM 0 HG13 VAL A 27 23.929 -13.496 17.215 1.00 0.00 H new ATOM 0 HG21 VAL A 27 24.594 -12.573 20.025 1.00 0.00 H new ATOM 0 HG22 VAL A 27 24.848 -14.210 19.376 1.00 0.00 H new ATOM 0 HG23 VAL A 27 26.202 -13.329 20.122 1.00 0.00 H new ATOM 396 N THR A 28 26.750 -14.153 15.156 1.00 0.00 N ATOM 397 CA THR A 28 26.808 -13.788 13.732 1.00 0.00 C ATOM 398 C THR A 28 25.484 -13.129 13.368 1.00 0.00 C ATOM 399 O THR A 28 24.461 -13.777 13.263 1.00 0.00 O ATOM 400 CB THR A 28 27.018 -15.091 12.961 1.00 0.00 C ATOM 401 OG1 THR A 28 26.963 -16.191 13.858 1.00 0.00 O ATOM 402 CG2 THR A 28 28.382 -15.053 12.275 1.00 0.00 C ATOM 0 H THR A 28 26.716 -15.151 15.364 1.00 0.00 H new ATOM 0 HA THR A 28 27.613 -13.091 13.498 1.00 0.00 H new ATOM 0 HB THR A 28 26.235 -15.203 12.211 1.00 0.00 H new ATOM 0 HG1 THR A 28 27.096 -17.025 13.361 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.538 -15.980 11.723 1.00 0.00 H new ATOM 0 HG22 THR A 28 28.419 -14.210 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 28 29.164 -14.942 13.026 1.00 0.00 H new ATOM 410 N TYR A 29 25.491 -11.842 13.206 1.00 0.00 N ATOM 411 CA TYR A 29 24.225 -11.134 12.884 1.00 0.00 C ATOM 412 C TYR A 29 23.758 -11.529 11.481 1.00 0.00 C ATOM 413 O TYR A 29 24.448 -11.314 10.505 1.00 0.00 O ATOM 414 CB TYR A 29 24.586 -9.646 12.915 1.00 0.00 C ATOM 415 CG TYR A 29 24.351 -9.048 14.288 1.00 0.00 C ATOM 416 CD1 TYR A 29 23.958 -9.848 15.371 1.00 0.00 C ATOM 417 CD2 TYR A 29 24.539 -7.674 14.471 1.00 0.00 C ATOM 418 CE1 TYR A 29 23.751 -9.269 16.629 1.00 0.00 C ATOM 419 CE2 TYR A 29 24.333 -7.097 15.728 1.00 0.00 C ATOM 420 CZ TYR A 29 23.937 -7.892 16.808 1.00 0.00 C ATOM 421 OH TYR A 29 23.738 -7.320 18.048 1.00 0.00 O ATOM 0 H TYR A 29 26.317 -11.248 13.282 1.00 0.00 H new ATOM 0 HA TYR A 29 23.423 -11.377 13.581 1.00 0.00 H new ATOM 0 HB2 TYR A 29 25.632 -9.518 12.635 1.00 0.00 H new ATOM 0 HB3 TYR A 29 23.990 -9.110 12.176 1.00 0.00 H new ATOM 0 HD1 TYR A 29 23.815 -10.910 15.235 1.00 0.00 H new ATOM 0 HD2 TYR A 29 24.844 -7.057 13.639 1.00 0.00 H new ATOM 0 HE1 TYR A 29 23.447 -9.885 17.463 1.00 0.00 H new ATOM 0 HE2 TYR A 29 24.480 -6.036 15.865 1.00 0.00 H new ATOM 0 HH TYR A 29 23.911 -6.357 17.996 1.00 0.00 H new ATOM 431 N SER A 30 22.596 -12.107 11.371 1.00 0.00 N ATOM 432 CA SER A 30 22.095 -12.515 10.027 1.00 0.00 C ATOM 433 C SER A 30 21.752 -11.275 9.199 1.00 0.00 C ATOM 434 O SER A 30 21.413 -10.236 9.730 1.00 0.00 O ATOM 435 CB SER A 30 20.840 -13.346 10.296 1.00 0.00 C ATOM 436 OG SER A 30 20.693 -13.549 11.696 1.00 0.00 O ATOM 0 H SER A 30 21.972 -12.315 12.150 1.00 0.00 H new ATOM 0 HA SER A 30 22.838 -13.081 9.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.962 -12.837 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.911 -14.306 9.785 1.00 0.00 H new ATOM 0 HG SER A 30 19.986 -14.208 11.859 1.00 0.00 H new ATOM 442 N CYS A 31 21.843 -11.374 7.901 1.00 0.00 N ATOM 443 CA CYS A 31 21.528 -10.198 7.041 1.00 0.00 C ATOM 444 C CYS A 31 20.402 -10.539 6.061 1.00 0.00 C ATOM 445 O CYS A 31 20.087 -11.690 5.837 1.00 0.00 O ATOM 446 CB CYS A 31 22.825 -9.910 6.286 1.00 0.00 C ATOM 447 SG CYS A 31 24.135 -9.523 7.473 1.00 0.00 S ATOM 0 H CYS A 31 22.121 -12.217 7.399 1.00 0.00 H new ATOM 0 HA CYS A 31 21.190 -9.340 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 31 23.108 -10.773 5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 31 22.682 -9.075 5.600 1.00 0.00 H new ATOM 452 N ASN A 32 19.798 -9.544 5.472 1.00 0.00 N ATOM 453 CA ASN A 32 18.698 -9.810 4.503 1.00 0.00 C ATOM 454 C ASN A 32 19.210 -10.682 3.354 1.00 0.00 C ATOM 455 O ASN A 32 20.304 -10.495 2.861 1.00 0.00 O ATOM 456 CB ASN A 32 18.287 -8.430 3.987 1.00 0.00 C ATOM 457 CG ASN A 32 17.356 -7.760 4.999 1.00 0.00 C ATOM 458 OD1 ASN A 32 17.563 -7.858 6.192 1.00 0.00 O ATOM 459 ND2 ASN A 32 16.331 -7.077 4.569 1.00 0.00 N ATOM 0 H ASN A 32 20.018 -8.559 5.620 1.00 0.00 H new ATOM 0 HA ASN A 32 17.862 -10.341 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.171 -7.813 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.786 -8.525 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.704 -6.625 5.234 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.157 -6.995 3.567 1.00 0.00 H new ATOM 466 N SER A 33 18.428 -11.634 2.924 1.00 0.00 N ATOM 467 CA SER A 33 18.872 -12.515 1.806 1.00 0.00 C ATOM 468 C SER A 33 19.534 -11.681 0.706 1.00 0.00 C ATOM 469 O SER A 33 18.872 -11.000 -0.052 1.00 0.00 O ATOM 470 CB SER A 33 17.592 -13.169 1.288 1.00 0.00 C ATOM 471 OG SER A 33 16.742 -13.470 2.388 1.00 0.00 O ATOM 0 H SER A 33 17.502 -11.840 3.298 1.00 0.00 H new ATOM 0 HA SER A 33 19.606 -13.254 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.084 -12.501 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.831 -14.079 0.738 1.00 0.00 H new ATOM 0 HG SER A 33 15.919 -13.888 2.060 1.00 0.00 H new ATOM 477 N GLY A 34 20.836 -11.729 0.609 1.00 0.00 N ATOM 478 CA GLY A 34 21.532 -10.938 -0.446 1.00 0.00 C ATOM 479 C GLY A 34 22.476 -9.922 0.203 1.00 0.00 C ATOM 480 O GLY A 34 23.516 -9.596 -0.334 1.00 0.00 O ATOM 0 H GLY A 34 21.446 -12.280 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 34 22.094 -11.604 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 34 20.801 -10.422 -1.068 1.00 0.00 H new ATOM 484 N TYR A 35 22.120 -9.418 1.352 1.00 0.00 N ATOM 485 CA TYR A 35 22.995 -8.419 2.034 1.00 0.00 C ATOM 486 C TYR A 35 24.243 -9.102 2.604 1.00 0.00 C ATOM 487 O TYR A 35 24.159 -10.105 3.284 1.00 0.00 O ATOM 488 CB TYR A 35 22.132 -7.843 3.158 1.00 0.00 C ATOM 489 CG TYR A 35 21.363 -6.647 2.644 1.00 0.00 C ATOM 490 CD1 TYR A 35 21.078 -6.529 1.278 1.00 0.00 C ATOM 491 CD2 TYR A 35 20.935 -5.656 3.535 1.00 0.00 C ATOM 492 CE1 TYR A 35 20.365 -5.421 0.804 1.00 0.00 C ATOM 493 CE2 TYR A 35 20.222 -4.548 3.061 1.00 0.00 C ATOM 494 CZ TYR A 35 19.937 -4.430 1.696 1.00 0.00 C ATOM 495 OH TYR A 35 19.234 -3.337 1.229 1.00 0.00 O ATOM 0 H TYR A 35 21.261 -9.654 1.850 1.00 0.00 H new ATOM 0 HA TYR A 35 23.347 -7.645 1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 35 21.441 -8.602 3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 35 22.760 -7.550 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 35 21.408 -7.293 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.155 -5.746 4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 35 20.145 -5.331 -0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 35 19.892 -3.784 3.749 1.00 0.00 H new ATOM 0 HH TYR A 35 19.012 -2.746 1.979 1.00 0.00 H new ATOM 505 N SER A 36 25.400 -8.564 2.328 1.00 0.00 N ATOM 506 CA SER A 36 26.656 -9.178 2.847 1.00 0.00 C ATOM 507 C SER A 36 26.872 -8.818 4.315 1.00 0.00 C ATOM 508 O SER A 36 26.498 -7.754 4.769 1.00 0.00 O ATOM 509 CB SER A 36 27.778 -8.579 2.003 1.00 0.00 C ATOM 510 OG SER A 36 28.758 -9.578 1.755 1.00 0.00 O ATOM 0 H SER A 36 25.530 -7.724 1.764 1.00 0.00 H new ATOM 0 HA SER A 36 26.620 -10.266 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 36 27.380 -8.201 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 36 28.227 -7.732 2.522 1.00 0.00 H new ATOM 0 HG SER A 36 29.377 -9.625 2.513 1.00 0.00 H new ATOM 516 N LEU A 37 27.501 -9.690 5.055 1.00 0.00 N ATOM 517 CA LEU A 37 27.774 -9.387 6.484 1.00 0.00 C ATOM 518 C LEU A 37 29.180 -8.804 6.605 1.00 0.00 C ATOM 519 O LEU A 37 30.164 -9.472 6.358 1.00 0.00 O ATOM 520 CB LEU A 37 27.683 -10.724 7.219 1.00 0.00 C ATOM 521 CG LEU A 37 27.941 -10.490 8.709 1.00 0.00 C ATOM 522 CD1 LEU A 37 26.610 -10.420 9.455 1.00 0.00 C ATOM 523 CD2 LEU A 37 28.776 -11.639 9.274 1.00 0.00 C ATOM 0 H LEU A 37 27.836 -10.597 4.730 1.00 0.00 H new ATOM 0 HA LEU A 37 27.072 -8.665 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 37 26.699 -11.168 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 37 28.413 -11.426 6.816 1.00 0.00 H new ATOM 0 HG LEU A 37 28.481 -9.551 8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.796 -10.253 10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 37 26.013 -9.599 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 26.070 -11.358 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 37 28.958 -11.469 10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 37 28.238 -12.578 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 37 29.728 -11.690 8.746 1.00 0.00 H new ATOM 535 N ILE A 38 29.284 -7.562 6.975 1.00 0.00 N ATOM 536 CA ILE A 38 30.632 -6.936 7.103 1.00 0.00 C ATOM 537 C ILE A 38 30.951 -6.720 8.585 1.00 0.00 C ATOM 538 O ILE A 38 30.070 -6.541 9.393 1.00 0.00 O ATOM 539 CB ILE A 38 30.575 -5.586 6.347 1.00 0.00 C ATOM 540 CG1 ILE A 38 29.263 -5.427 5.560 1.00 0.00 C ATOM 541 CG2 ILE A 38 31.728 -5.525 5.347 1.00 0.00 C ATOM 542 CD1 ILE A 38 29.210 -6.478 4.447 1.00 0.00 C ATOM 0 H ILE A 38 28.497 -6.951 7.195 1.00 0.00 H new ATOM 0 HA ILE A 38 31.413 -7.569 6.683 1.00 0.00 H new ATOM 0 HB ILE A 38 30.642 -4.790 7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 38 28.409 -5.544 6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 38 29.200 -4.426 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 38 31.695 -4.577 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.676 -5.608 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.638 -6.347 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 38 28.281 -6.368 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 38 30.057 -6.340 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 38 29.254 -7.475 4.886 1.00 0.00 H new ATOM 554 N GLY A 39 32.197 -6.751 8.959 1.00 0.00 N ATOM 555 CA GLY A 39 32.533 -6.555 10.398 1.00 0.00 C ATOM 556 C GLY A 39 33.382 -7.726 10.893 1.00 0.00 C ATOM 557 O GLY A 39 34.259 -8.206 10.202 1.00 0.00 O ATOM 0 H GLY A 39 32.993 -6.902 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 39 33.075 -5.619 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 39 31.619 -6.481 10.988 1.00 0.00 H new ATOM 561 N ASN A 40 33.127 -8.195 12.085 1.00 0.00 N ATOM 562 CA ASN A 40 33.919 -9.341 12.616 1.00 0.00 C ATOM 563 C ASN A 40 33.046 -10.589 12.688 1.00 0.00 C ATOM 564 O ASN A 40 32.972 -11.254 13.701 1.00 0.00 O ATOM 565 CB ASN A 40 34.375 -8.910 14.010 1.00 0.00 C ATOM 566 CG ASN A 40 35.882 -8.650 13.997 1.00 0.00 C ATOM 567 OD1 ASN A 40 36.650 -9.430 14.524 1.00 0.00 O ATOM 568 ND2 ASN A 40 36.342 -7.578 13.411 1.00 0.00 N ATOM 0 H ASN A 40 32.407 -7.835 12.712 1.00 0.00 H new ATOM 0 HA ASN A 40 34.769 -9.586 11.980 1.00 0.00 H new ATOM 0 HB2 ASN A 40 33.843 -8.009 14.316 1.00 0.00 H new ATOM 0 HB3 ASN A 40 34.135 -9.685 14.738 1.00 0.00 H new ATOM 0 HD21 ASN A 40 37.345 -7.396 13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 40 35.698 -6.923 12.968 1.00 0.00 H new ATOM 575 N SER A 41 32.404 -10.897 11.596 1.00 0.00 N ATOM 576 CA SER A 41 31.514 -12.102 11.508 1.00 0.00 C ATOM 577 C SER A 41 31.017 -12.562 12.885 1.00 0.00 C ATOM 578 O SER A 41 31.117 -13.723 13.227 1.00 0.00 O ATOM 579 CB SER A 41 32.389 -13.183 10.875 1.00 0.00 C ATOM 580 OG SER A 41 33.640 -13.230 11.548 1.00 0.00 O ATOM 0 H SER A 41 32.457 -10.353 10.735 1.00 0.00 H new ATOM 0 HA SER A 41 30.616 -11.884 10.930 1.00 0.00 H new ATOM 0 HB2 SER A 41 31.893 -14.151 10.938 1.00 0.00 H new ATOM 0 HB3 SER A 41 32.540 -12.971 9.817 1.00 0.00 H new ATOM 0 HG SER A 41 34.203 -13.924 11.145 1.00 0.00 H new ATOM 586 N GLY A 42 30.477 -11.675 13.678 1.00 0.00 N ATOM 587 CA GLY A 42 29.979 -12.100 15.018 1.00 0.00 C ATOM 588 C GLY A 42 30.034 -10.932 16.002 1.00 0.00 C ATOM 589 O GLY A 42 31.039 -10.263 16.134 1.00 0.00 O ATOM 0 H GLY A 42 30.360 -10.686 13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 42 28.955 -12.465 14.934 1.00 0.00 H new ATOM 0 HA3 GLY A 42 30.582 -12.927 15.392 1.00 0.00 H new ATOM 593 N VAL A 43 28.963 -10.700 16.714 1.00 0.00 N ATOM 594 CA VAL A 43 28.957 -9.594 17.716 1.00 0.00 C ATOM 595 C VAL A 43 29.624 -10.115 18.976 1.00 0.00 C ATOM 596 O VAL A 43 29.189 -11.090 19.527 1.00 0.00 O ATOM 597 CB VAL A 43 27.486 -9.271 18.019 1.00 0.00 C ATOM 598 CG1 VAL A 43 27.362 -7.793 18.387 1.00 0.00 C ATOM 599 CG2 VAL A 43 26.595 -9.556 16.808 1.00 0.00 C ATOM 0 H VAL A 43 28.093 -11.228 16.645 1.00 0.00 H new ATOM 0 HA VAL A 43 29.478 -8.707 17.355 1.00 0.00 H new ATOM 0 HB VAL A 43 27.161 -9.902 18.846 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.320 -7.558 18.603 1.00 0.00 H new ATOM 0 HG12 VAL A 43 27.971 -7.585 19.267 1.00 0.00 H new ATOM 0 HG13 VAL A 43 27.707 -7.180 17.554 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.560 -9.318 17.054 1.00 0.00 H new ATOM 0 HG22 VAL A 43 26.918 -8.944 15.966 1.00 0.00 H new ATOM 0 HG23 VAL A 43 26.671 -10.610 16.540 1.00 0.00 H new ATOM 609 N LEU A 44 30.674 -9.516 19.441 1.00 0.00 N ATOM 610 CA LEU A 44 31.316 -10.073 20.663 1.00 0.00 C ATOM 611 C LEU A 44 30.819 -9.370 21.922 1.00 0.00 C ATOM 612 O LEU A 44 31.235 -8.274 22.240 1.00 0.00 O ATOM 613 CB LEU A 44 32.817 -9.849 20.483 1.00 0.00 C ATOM 614 CG LEU A 44 33.543 -10.278 21.762 1.00 0.00 C ATOM 615 CD1 LEU A 44 33.758 -11.791 21.747 1.00 0.00 C ATOM 616 CD2 LEU A 44 34.898 -9.571 21.845 1.00 0.00 C ATOM 0 H LEU A 44 31.111 -8.685 19.044 1.00 0.00 H new ATOM 0 HA LEU A 44 31.074 -11.129 20.785 1.00 0.00 H new ATOM 0 HB2 LEU A 44 33.184 -10.423 19.632 1.00 0.00 H new ATOM 0 HB3 LEU A 44 33.018 -8.799 20.270 1.00 0.00 H new ATOM 0 HG LEU A 44 32.939 -10.006 22.627 1.00 0.00 H new ATOM 0 HD11 LEU A 44 34.275 -12.094 22.658 1.00 0.00 H new ATOM 0 HD12 LEU A 44 32.793 -12.295 21.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 34.360 -12.064 20.880 1.00 0.00 H new ATOM 0 HD21 LEU A 44 35.413 -9.877 22.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 35.502 -9.840 20.978 1.00 0.00 H new ATOM 0 HD23 LEU A 44 34.745 -8.492 21.860 1.00 0.00 H new ATOM 628 N CYS A 45 29.952 -10.008 22.658 1.00 0.00 N ATOM 629 CA CYS A 45 29.458 -9.384 23.916 1.00 0.00 C ATOM 630 C CYS A 45 30.488 -9.608 25.022 1.00 0.00 C ATOM 631 O CYS A 45 30.841 -10.730 25.338 1.00 0.00 O ATOM 632 CB CYS A 45 28.148 -10.095 24.246 1.00 0.00 C ATOM 633 SG CYS A 45 26.994 -8.912 24.983 1.00 0.00 S ATOM 0 H CYS A 45 29.567 -10.928 22.445 1.00 0.00 H new ATOM 0 HA CYS A 45 29.304 -8.309 23.817 1.00 0.00 H new ATOM 0 HB2 CYS A 45 27.717 -10.526 23.342 1.00 0.00 H new ATOM 0 HB3 CYS A 45 28.332 -10.919 24.936 1.00 0.00 H new ATOM 638 N SER A 46 30.985 -8.552 25.599 1.00 0.00 N ATOM 639 CA SER A 46 32.008 -8.706 26.672 1.00 0.00 C ATOM 640 C SER A 46 31.697 -7.788 27.858 1.00 0.00 C ATOM 641 O SER A 46 31.581 -6.587 27.713 1.00 0.00 O ATOM 642 CB SER A 46 33.324 -8.295 26.014 1.00 0.00 C ATOM 643 OG SER A 46 33.414 -8.895 24.728 1.00 0.00 O ATOM 0 H SER A 46 30.729 -7.590 25.376 1.00 0.00 H new ATOM 0 HA SER A 46 32.037 -9.722 27.065 1.00 0.00 H new ATOM 0 HB2 SER A 46 33.377 -7.210 25.926 1.00 0.00 H new ATOM 0 HB3 SER A 46 34.166 -8.606 26.633 1.00 0.00 H new ATOM 0 HG SER A 46 34.257 -8.632 24.303 1.00 0.00 H new ATOM 649 N GLY A 47 31.574 -8.344 29.034 1.00 0.00 N ATOM 650 CA GLY A 47 31.286 -7.505 30.233 1.00 0.00 C ATOM 651 C GLY A 47 29.826 -7.048 30.221 1.00 0.00 C ATOM 652 O GLY A 47 29.447 -6.139 30.933 1.00 0.00 O ATOM 0 H GLY A 47 31.661 -9.344 29.216 1.00 0.00 H new ATOM 0 HA2 GLY A 47 31.489 -8.073 31.141 1.00 0.00 H new ATOM 0 HA3 GLY A 47 31.946 -6.638 30.246 1.00 0.00 H new ATOM 656 N GLY A 48 29.000 -7.670 29.427 1.00 0.00 N ATOM 657 CA GLY A 48 27.567 -7.264 29.384 1.00 0.00 C ATOM 658 C GLY A 48 27.380 -6.130 28.374 1.00 0.00 C ATOM 659 O GLY A 48 26.466 -5.336 28.481 1.00 0.00 O ATOM 0 H GLY A 48 29.254 -8.440 28.808 1.00 0.00 H new ATOM 0 HA2 GLY A 48 26.946 -8.116 29.107 1.00 0.00 H new ATOM 0 HA3 GLY A 48 27.241 -6.940 30.373 1.00 0.00 H new ATOM 663 N GLU A 49 28.238 -6.044 27.395 1.00 0.00 N ATOM 664 CA GLU A 49 28.105 -4.957 26.382 1.00 0.00 C ATOM 665 C GLU A 49 28.446 -5.486 24.987 1.00 0.00 C ATOM 666 O GLU A 49 29.598 -5.666 24.647 1.00 0.00 O ATOM 667 CB GLU A 49 29.116 -3.892 26.808 1.00 0.00 C ATOM 668 CG GLU A 49 28.499 -2.999 27.887 1.00 0.00 C ATOM 669 CD GLU A 49 29.253 -1.669 27.941 1.00 0.00 C ATOM 670 OE1 GLU A 49 29.251 -0.969 26.942 1.00 0.00 O ATOM 671 OE2 GLU A 49 29.817 -1.372 28.982 1.00 0.00 O ATOM 0 H GLU A 49 29.024 -6.678 27.252 1.00 0.00 H new ATOM 0 HA GLU A 49 27.090 -4.563 26.334 1.00 0.00 H new ATOM 0 HB2 GLU A 49 30.021 -4.367 27.188 1.00 0.00 H new ATOM 0 HB3 GLU A 49 29.409 -3.290 25.948 1.00 0.00 H new ATOM 0 HG2 GLU A 49 27.445 -2.823 27.670 1.00 0.00 H new ATOM 0 HG3 GLU A 49 28.546 -3.496 28.856 1.00 0.00 H new ATOM 678 N TRP A 50 27.455 -5.731 24.174 1.00 0.00 N ATOM 679 CA TRP A 50 27.732 -6.242 22.802 1.00 0.00 C ATOM 680 C TRP A 50 28.669 -5.282 22.068 1.00 0.00 C ATOM 681 O TRP A 50 28.523 -4.078 22.145 1.00 0.00 O ATOM 682 CB TRP A 50 26.365 -6.302 22.117 1.00 0.00 C ATOM 683 CG TRP A 50 25.641 -7.527 22.575 1.00 0.00 C ATOM 684 CD1 TRP A 50 24.594 -7.540 23.433 1.00 0.00 C ATOM 685 CD2 TRP A 50 25.898 -8.915 22.221 1.00 0.00 C ATOM 686 NE1 TRP A 50 24.193 -8.849 23.627 1.00 0.00 N ATOM 687 CE2 TRP A 50 24.966 -9.734 22.903 1.00 0.00 C ATOM 688 CE3 TRP A 50 26.839 -9.540 21.384 1.00 0.00 C ATOM 689 CZ2 TRP A 50 24.971 -11.121 22.759 1.00 0.00 C ATOM 690 CZ3 TRP A 50 26.844 -10.936 21.240 1.00 0.00 C ATOM 691 CH2 TRP A 50 25.916 -11.722 21.925 1.00 0.00 C ATOM 0 H TRP A 50 26.469 -5.600 24.399 1.00 0.00 H new ATOM 0 HA TRP A 50 28.220 -7.217 22.809 1.00 0.00 H new ATOM 0 HB2 TRP A 50 25.785 -5.411 22.357 1.00 0.00 H new ATOM 0 HB3 TRP A 50 26.488 -6.321 21.034 1.00 0.00 H new ATOM 0 HD1 TRP A 50 24.146 -6.671 23.891 1.00 0.00 H new ATOM 0 HE1 TRP A 50 23.420 -9.127 24.232 1.00 0.00 H new ATOM 0 HE3 TRP A 50 27.562 -8.942 20.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 24.250 -11.726 23.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 27.571 -11.406 20.594 1.00 0.00 H new ATOM 0 HH2 TRP A 50 25.929 -12.796 21.810 1.00 0.00 H new ATOM 702 N SER A 51 29.638 -5.802 21.366 1.00 0.00 N ATOM 703 CA SER A 51 30.586 -4.910 20.642 1.00 0.00 C ATOM 704 C SER A 51 30.942 -5.486 19.270 1.00 0.00 C ATOM 705 O SER A 51 30.488 -6.545 18.886 1.00 0.00 O ATOM 706 CB SER A 51 31.826 -4.855 21.532 1.00 0.00 C ATOM 707 OG SER A 51 31.432 -4.583 22.870 1.00 0.00 O ATOM 0 H SER A 51 29.814 -6.801 21.263 1.00 0.00 H new ATOM 0 HA SER A 51 30.158 -3.924 20.461 1.00 0.00 H new ATOM 0 HB2 SER A 51 32.364 -5.802 21.485 1.00 0.00 H new ATOM 0 HB3 SER A 51 32.508 -4.082 21.177 1.00 0.00 H new ATOM 0 HG SER A 51 32.225 -4.549 23.444 1.00 0.00 H new ATOM 713 N ASP A 52 31.760 -4.785 18.535 1.00 0.00 N ATOM 714 CA ASP A 52 32.172 -5.263 17.183 1.00 0.00 C ATOM 715 C ASP A 52 30.999 -5.908 16.444 1.00 0.00 C ATOM 716 O ASP A 52 31.013 -7.088 16.152 1.00 0.00 O ATOM 717 CB ASP A 52 33.278 -6.286 17.442 1.00 0.00 C ATOM 718 CG ASP A 52 34.426 -5.614 18.199 1.00 0.00 C ATOM 719 OD1 ASP A 52 34.147 -4.918 19.162 1.00 0.00 O ATOM 720 OD2 ASP A 52 35.564 -5.806 17.804 1.00 0.00 O ATOM 0 H ASP A 52 32.165 -3.892 18.815 1.00 0.00 H new ATOM 0 HA ASP A 52 32.513 -4.442 16.552 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.886 -7.122 18.021 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.640 -6.694 16.498 1.00 0.00 H new ATOM 725 N PRO A 53 30.032 -5.093 16.153 1.00 0.00 N ATOM 726 CA PRO A 53 28.834 -5.541 15.422 1.00 0.00 C ATOM 727 C PRO A 53 29.057 -5.377 13.917 1.00 0.00 C ATOM 728 O PRO A 53 29.432 -4.316 13.459 1.00 0.00 O ATOM 729 CB PRO A 53 27.757 -4.587 15.917 1.00 0.00 C ATOM 730 CG PRO A 53 28.486 -3.347 16.369 1.00 0.00 C ATOM 731 CD PRO A 53 29.960 -3.677 16.482 1.00 0.00 C ATOM 0 HA PRO A 53 28.581 -6.588 15.585 1.00 0.00 H new ATOM 0 HB2 PRO A 53 27.045 -4.356 15.125 1.00 0.00 H new ATOM 0 HB3 PRO A 53 27.190 -5.028 16.737 1.00 0.00 H new ATOM 0 HG2 PRO A 53 28.332 -2.535 15.658 1.00 0.00 H new ATOM 0 HG3 PRO A 53 28.098 -3.007 17.329 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.557 -3.077 15.795 1.00 0.00 H new ATOM 0 HD3 PRO A 53 30.337 -3.481 17.486 1.00 0.00 H new ATOM 739 N PRO A 54 28.830 -6.437 13.197 1.00 0.00 N ATOM 740 CA PRO A 54 29.022 -6.406 11.732 1.00 0.00 C ATOM 741 C PRO A 54 27.860 -5.681 11.048 1.00 0.00 C ATOM 742 O PRO A 54 26.919 -5.251 11.683 1.00 0.00 O ATOM 743 CB PRO A 54 29.067 -7.880 11.347 1.00 0.00 C ATOM 744 CG PRO A 54 28.305 -8.593 12.423 1.00 0.00 C ATOM 745 CD PRO A 54 28.379 -7.749 13.672 1.00 0.00 C ATOM 0 HA PRO A 54 29.920 -5.868 11.427 1.00 0.00 H new ATOM 0 HB2 PRO A 54 28.615 -8.045 10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 54 30.094 -8.240 11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 54 27.268 -8.742 12.123 1.00 0.00 H new ATOM 0 HG3 PRO A 54 28.730 -9.581 12.603 1.00 0.00 H new ATOM 0 HD2 PRO A 54 27.409 -7.682 14.165 1.00 0.00 H new ATOM 0 HD3 PRO A 54 29.076 -8.171 14.396 1.00 0.00 H new ATOM 753 N THR A 55 27.937 -5.526 9.756 1.00 0.00 N ATOM 754 CA THR A 55 26.862 -4.809 9.018 1.00 0.00 C ATOM 755 C THR A 55 26.217 -5.712 7.972 1.00 0.00 C ATOM 756 O THR A 55 26.833 -6.615 7.442 1.00 0.00 O ATOM 757 CB THR A 55 27.583 -3.659 8.315 1.00 0.00 C ATOM 758 OG1 THR A 55 28.786 -4.146 7.737 1.00 0.00 O ATOM 759 CG2 THR A 55 27.915 -2.566 9.326 1.00 0.00 C ATOM 0 H THR A 55 28.704 -5.868 9.176 1.00 0.00 H new ATOM 0 HA THR A 55 26.068 -4.478 9.687 1.00 0.00 H new ATOM 0 HB THR A 55 26.939 -3.248 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 55 29.219 -3.428 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 55 28.429 -1.748 8.822 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.994 -2.194 9.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.559 -2.974 10.105 1.00 0.00 H new ATOM 767 N CYS A 56 24.988 -5.444 7.647 1.00 0.00 N ATOM 768 CA CYS A 56 24.301 -6.246 6.605 1.00 0.00 C ATOM 769 C CYS A 56 24.023 -5.339 5.419 1.00 0.00 C ATOM 770 O CYS A 56 22.932 -4.838 5.236 1.00 0.00 O ATOM 771 CB CYS A 56 23.005 -6.732 7.253 1.00 0.00 C ATOM 772 SG CYS A 56 23.398 -7.963 8.521 1.00 0.00 S ATOM 0 H CYS A 56 24.427 -4.700 8.061 1.00 0.00 H new ATOM 0 HA CYS A 56 24.888 -7.093 6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 56 22.470 -5.893 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 56 22.348 -7.166 6.499 1.00 0.00 H new ATOM 777 N GLN A 57 25.026 -5.104 4.628 1.00 0.00 N ATOM 778 CA GLN A 57 24.863 -4.202 3.458 1.00 0.00 C ATOM 779 C GLN A 57 25.045 -4.979 2.160 1.00 0.00 C ATOM 780 O GLN A 57 25.260 -6.172 2.165 1.00 0.00 O ATOM 781 CB GLN A 57 25.955 -3.124 3.587 1.00 0.00 C ATOM 782 CG GLN A 57 26.933 -3.443 4.728 1.00 0.00 C ATOM 783 CD GLN A 57 27.992 -2.342 4.817 1.00 0.00 C ATOM 784 OE1 GLN A 57 27.850 -1.407 5.579 1.00 0.00 O ATOM 785 NE2 GLN A 57 29.056 -2.416 4.065 1.00 0.00 N ATOM 0 H GLN A 57 25.959 -5.500 4.741 1.00 0.00 H new ATOM 0 HA GLN A 57 23.867 -3.760 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 57 26.503 -3.047 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 57 25.490 -2.154 3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 57 26.394 -3.520 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 57 27.410 -4.407 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 57 29.175 -3.202 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 57 29.769 -1.688 4.117 1.00 0.00 H new ATOM 794 N ILE A 58 24.965 -4.311 1.046 1.00 0.00 N ATOM 795 CA ILE A 58 25.138 -5.017 -0.252 1.00 0.00 C ATOM 796 C ILE A 58 26.590 -4.882 -0.711 1.00 0.00 C ATOM 797 O ILE A 58 27.147 -3.802 -0.729 1.00 0.00 O ATOM 798 CB ILE A 58 24.187 -4.343 -1.258 1.00 0.00 C ATOM 799 CG1 ILE A 58 23.099 -3.523 -0.546 1.00 0.00 C ATOM 800 CG2 ILE A 58 23.509 -5.426 -2.091 1.00 0.00 C ATOM 801 CD1 ILE A 58 23.552 -2.066 -0.427 1.00 0.00 C ATOM 0 H ILE A 58 24.788 -3.309 0.977 1.00 0.00 H new ATOM 0 HA ILE A 58 24.909 -6.079 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 58 24.773 -3.670 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.164 -3.580 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.906 -3.937 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 58 22.832 -4.963 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 58 24.265 -6.001 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 58 22.945 -6.089 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.780 -1.485 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 58 24.477 -2.018 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 58 23.722 -1.655 -1.422 1.00 0.00 H new ATOM 813 N VAL A 59 27.212 -5.969 -1.070 1.00 0.00 N ATOM 814 CA VAL A 59 28.635 -5.897 -1.511 1.00 0.00 C ATOM 815 C VAL A 59 28.773 -6.335 -2.948 1.00 0.00 C ATOM 816 O VAL A 59 29.610 -7.146 -3.286 1.00 0.00 O ATOM 817 CB VAL A 59 29.384 -6.866 -0.616 1.00 0.00 C ATOM 818 CG1 VAL A 59 29.177 -6.472 0.844 1.00 0.00 C ATOM 819 CG2 VAL A 59 28.852 -8.274 -0.862 1.00 0.00 C ATOM 0 H VAL A 59 26.800 -6.902 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 59 29.019 -4.879 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 59 30.450 -6.837 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 59 29.715 -7.168 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 29.554 -5.462 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 59 28.114 -6.504 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 59 29.383 -8.980 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 59 27.787 -8.306 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 59 29.005 -8.543 -1.907 1.00 0.00 H new ATOM 829 N LYS A 60 27.979 -5.800 -3.799 1.00 0.00 N ATOM 830 CA LYS A 60 28.088 -6.193 -5.219 1.00 0.00 C ATOM 831 C LYS A 60 29.436 -5.751 -5.756 1.00 0.00 C ATOM 832 O LYS A 60 30.350 -5.470 -5.009 1.00 0.00 O ATOM 833 CB LYS A 60 26.945 -5.471 -5.933 1.00 0.00 C ATOM 834 CG LYS A 60 25.771 -6.432 -6.121 1.00 0.00 C ATOM 835 CD LYS A 60 24.533 -5.646 -6.555 1.00 0.00 C ATOM 836 CE LYS A 60 23.790 -6.423 -7.644 1.00 0.00 C ATOM 837 NZ LYS A 60 24.042 -5.661 -8.898 1.00 0.00 N ATOM 0 H LYS A 60 27.259 -5.110 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 60 28.018 -7.271 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 60 26.629 -4.604 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 60 27.283 -5.100 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 60 26.019 -7.184 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 60 25.570 -6.964 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 60 23.877 -5.480 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 60 24.825 -4.665 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 60 24.160 -7.445 -7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 60 22.724 -6.485 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 23.564 -6.132 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 23.673 -4.694 -8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 25.065 -5.624 -9.082 1.00 0.00 H new ATOM 851 N CYS A 61 29.577 -5.710 -7.039 1.00 0.00 N ATOM 852 CA CYS A 61 30.888 -5.299 -7.612 1.00 0.00 C ATOM 853 C CYS A 61 30.737 -4.633 -8.974 1.00 0.00 C ATOM 854 O CYS A 61 29.802 -4.896 -9.704 1.00 0.00 O ATOM 855 CB CYS A 61 31.663 -6.596 -7.776 1.00 0.00 C ATOM 856 SG CYS A 61 33.271 -6.425 -6.982 1.00 0.00 S ATOM 0 H CYS A 61 28.852 -5.940 -7.718 1.00 0.00 H new ATOM 0 HA CYS A 61 31.381 -4.573 -6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 61 31.110 -7.423 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 61 31.788 -6.828 -8.834 1.00 0.00 H new ATOM 861 N PRO A 62 31.706 -3.815 -9.279 1.00 0.00 N ATOM 862 CA PRO A 62 31.739 -3.124 -10.578 1.00 0.00 C ATOM 863 C PRO A 62 32.297 -4.082 -11.622 1.00 0.00 C ATOM 864 O PRO A 62 31.651 -4.416 -12.596 1.00 0.00 O ATOM 865 CB PRO A 62 32.705 -1.966 -10.344 1.00 0.00 C ATOM 866 CG PRO A 62 33.586 -2.392 -9.212 1.00 0.00 C ATOM 867 CD PRO A 62 32.856 -3.463 -8.437 1.00 0.00 C ATOM 0 HA PRO A 62 30.764 -2.785 -10.928 1.00 0.00 H new ATOM 0 HB2 PRO A 62 33.291 -1.759 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 62 32.166 -1.051 -10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 62 34.535 -2.773 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 62 33.817 -1.544 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 62 33.495 -4.328 -8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 62 32.535 -3.097 -7.462 1.00 0.00 H new ATOM 875 N HIS A 63 33.504 -4.527 -11.395 1.00 0.00 N ATOM 876 CA HIS A 63 34.183 -5.479 -12.321 1.00 0.00 C ATOM 877 C HIS A 63 35.691 -5.371 -12.120 1.00 0.00 C ATOM 878 O HIS A 63 36.246 -4.291 -12.175 1.00 0.00 O ATOM 879 CB HIS A 63 33.825 -5.031 -13.730 1.00 0.00 C ATOM 880 CG HIS A 63 32.828 -5.985 -14.327 1.00 0.00 C ATOM 881 ND1 HIS A 63 32.620 -6.080 -15.694 1.00 0.00 N ATOM 882 CD2 HIS A 63 31.971 -6.890 -13.754 1.00 0.00 C ATOM 883 CE1 HIS A 63 31.671 -7.013 -15.896 1.00 0.00 C ATOM 884 NE2 HIS A 63 31.241 -7.539 -14.746 1.00 0.00 N ATOM 0 H HIS A 63 34.062 -4.262 -10.583 1.00 0.00 H new ATOM 0 HA HIS A 63 33.877 -6.510 -12.143 1.00 0.00 H new ATOM 0 HB2 HIS A 63 33.410 -4.023 -13.707 1.00 0.00 H new ATOM 0 HB3 HIS A 63 34.722 -4.993 -14.349 1.00 0.00 H new ATOM 0 HD1 HIS A 63 33.099 -5.541 -16.416 1.00 0.00 H new ATOM 0 HD2 HIS A 63 31.877 -7.072 -12.694 1.00 0.00 H new ATOM 0 HE1 HIS A 63 31.302 -7.301 -16.869 1.00 0.00 H new ATOM 892 N PRO A 64 36.308 -6.487 -11.889 1.00 0.00 N ATOM 893 CA PRO A 64 37.766 -6.498 -11.676 1.00 0.00 C ATOM 894 C PRO A 64 38.486 -6.428 -13.023 1.00 0.00 C ATOM 895 O PRO A 64 39.138 -7.363 -13.442 1.00 0.00 O ATOM 896 CB PRO A 64 38.014 -7.833 -10.998 1.00 0.00 C ATOM 897 CG PRO A 64 36.883 -8.717 -11.435 1.00 0.00 C ATOM 898 CD PRO A 64 35.720 -7.826 -11.804 1.00 0.00 C ATOM 0 HA PRO A 64 38.128 -5.656 -11.086 1.00 0.00 H new ATOM 0 HB2 PRO A 64 38.976 -8.251 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 64 38.032 -7.726 -9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 64 37.182 -9.328 -12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 64 36.602 -9.402 -10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 64 35.273 -8.126 -12.752 1.00 0.00 H new ATOM 0 HD3 PRO A 64 34.932 -7.868 -11.053 1.00 0.00 H new ATOM 906 N THR A 65 38.370 -5.326 -13.703 1.00 0.00 N ATOM 907 CA THR A 65 39.048 -5.193 -15.028 1.00 0.00 C ATOM 908 C THR A 65 40.416 -4.556 -14.833 1.00 0.00 C ATOM 909 O THR A 65 40.787 -4.184 -13.739 1.00 0.00 O ATOM 910 CB THR A 65 38.167 -4.273 -15.892 1.00 0.00 C ATOM 911 OG1 THR A 65 38.707 -2.959 -15.881 1.00 0.00 O ATOM 912 CG2 THR A 65 36.737 -4.234 -15.354 1.00 0.00 C ATOM 0 H THR A 65 37.837 -4.510 -13.403 1.00 0.00 H new ATOM 0 HA THR A 65 39.181 -6.165 -15.503 1.00 0.00 H new ATOM 0 HB THR A 65 38.148 -4.663 -16.910 1.00 0.00 H new ATOM 0 HG1 THR A 65 38.149 -2.371 -16.432 1.00 0.00 H new ATOM 0 HG21 THR A 65 36.131 -3.578 -15.979 1.00 0.00 H new ATOM 0 HG22 THR A 65 36.316 -5.239 -15.367 1.00 0.00 H new ATOM 0 HG23 THR A 65 36.743 -3.857 -14.331 1.00 0.00 H new ATOM 920 N ILE A 66 41.172 -4.418 -15.881 1.00 0.00 N ATOM 921 CA ILE A 66 42.511 -3.794 -15.730 1.00 0.00 C ATOM 922 C ILE A 66 43.173 -3.615 -17.103 1.00 0.00 C ATOM 923 O ILE A 66 42.770 -4.210 -18.083 1.00 0.00 O ATOM 924 CB ILE A 66 43.322 -4.740 -14.807 1.00 0.00 C ATOM 925 CG1 ILE A 66 44.774 -4.852 -15.272 1.00 0.00 C ATOM 926 CG2 ILE A 66 42.709 -6.139 -14.771 1.00 0.00 C ATOM 927 CD1 ILE A 66 45.542 -5.702 -14.262 1.00 0.00 C ATOM 0 H ILE A 66 40.925 -4.707 -16.827 1.00 0.00 H new ATOM 0 HA ILE A 66 42.454 -2.797 -15.292 1.00 0.00 H new ATOM 0 HB ILE A 66 43.293 -4.307 -13.807 1.00 0.00 H new ATOM 0 HG12 ILE A 66 44.821 -5.306 -16.262 1.00 0.00 H new ATOM 0 HG13 ILE A 66 45.223 -3.862 -15.353 1.00 0.00 H new ATOM 0 HG21 ILE A 66 43.300 -6.779 -14.116 1.00 0.00 H new ATOM 0 HG22 ILE A 66 41.688 -6.079 -14.395 1.00 0.00 H new ATOM 0 HG23 ILE A 66 42.701 -6.559 -15.777 1.00 0.00 H new ATOM 0 HD11 ILE A 66 46.581 -5.793 -14.578 1.00 0.00 H new ATOM 0 HD12 ILE A 66 45.501 -5.228 -13.282 1.00 0.00 H new ATOM 0 HD13 ILE A 66 45.093 -6.693 -14.204 1.00 0.00 H new ATOM 939 N SER A 67 44.179 -2.785 -17.174 1.00 0.00 N ATOM 940 CA SER A 67 44.869 -2.542 -18.474 1.00 0.00 C ATOM 941 C SER A 67 45.614 -3.793 -18.943 1.00 0.00 C ATOM 942 O SER A 67 46.636 -4.161 -18.398 1.00 0.00 O ATOM 943 CB SER A 67 45.856 -1.412 -18.191 1.00 0.00 C ATOM 944 OG SER A 67 46.897 -1.446 -19.158 1.00 0.00 O ATOM 0 H SER A 67 44.554 -2.262 -16.383 1.00 0.00 H new ATOM 0 HA SER A 67 44.162 -2.289 -19.264 1.00 0.00 H new ATOM 0 HB2 SER A 67 45.345 -0.450 -18.224 1.00 0.00 H new ATOM 0 HB3 SER A 67 46.271 -1.518 -17.189 1.00 0.00 H new ATOM 0 HG SER A 67 47.532 -0.721 -18.981 1.00 0.00 H new ATOM 950 N ASN A 68 45.112 -4.437 -19.961 1.00 0.00 N ATOM 951 CA ASN A 68 45.785 -5.659 -20.492 1.00 0.00 C ATOM 952 C ASN A 68 46.345 -6.511 -19.352 1.00 0.00 C ATOM 953 O ASN A 68 47.383 -7.125 -19.480 1.00 0.00 O ATOM 954 CB ASN A 68 46.923 -5.132 -21.364 1.00 0.00 C ATOM 955 CG ASN A 68 46.389 -4.806 -22.760 1.00 0.00 C ATOM 956 OD1 ASN A 68 45.889 -5.672 -23.449 1.00 0.00 O ATOM 957 ND2 ASN A 68 46.472 -3.583 -23.207 1.00 0.00 N ATOM 0 H ASN A 68 44.259 -4.168 -20.452 1.00 0.00 H new ATOM 0 HA ASN A 68 45.094 -6.294 -21.047 1.00 0.00 H new ATOM 0 HB2 ASN A 68 47.358 -4.240 -20.912 1.00 0.00 H new ATOM 0 HB3 ASN A 68 47.717 -5.875 -21.432 1.00 0.00 H new ATOM 0 HD21 ASN A 68 46.117 -3.354 -24.135 1.00 0.00 H new ATOM 0 HD22 ASN A 68 46.892 -2.856 -22.628 1.00 0.00 H new ATOM 964 N GLY A 69 45.676 -6.554 -18.236 1.00 0.00 N ATOM 965 CA GLY A 69 46.196 -7.370 -17.104 1.00 0.00 C ATOM 966 C GLY A 69 45.033 -7.972 -16.316 1.00 0.00 C ATOM 967 O GLY A 69 45.087 -8.085 -15.109 1.00 0.00 O ATOM 0 H GLY A 69 44.799 -6.064 -18.058 1.00 0.00 H new ATOM 0 HA2 GLY A 69 46.839 -8.164 -17.483 1.00 0.00 H new ATOM 0 HA3 GLY A 69 46.808 -6.750 -16.449 1.00 0.00 H new ATOM 971 N TYR A 70 43.981 -8.345 -16.993 1.00 0.00 N ATOM 972 CA TYR A 70 42.795 -8.938 -16.302 1.00 0.00 C ATOM 973 C TYR A 70 43.184 -10.030 -15.330 1.00 0.00 C ATOM 974 O TYR A 70 44.306 -10.168 -14.906 1.00 0.00 O ATOM 975 CB TYR A 70 41.912 -9.541 -17.395 1.00 0.00 C ATOM 976 CG TYR A 70 42.755 -10.381 -18.323 1.00 0.00 C ATOM 977 CD1 TYR A 70 43.318 -11.575 -17.853 1.00 0.00 C ATOM 978 CD2 TYR A 70 42.968 -9.982 -19.648 1.00 0.00 C ATOM 979 CE1 TYR A 70 44.093 -12.369 -18.704 1.00 0.00 C ATOM 980 CE2 TYR A 70 43.746 -10.778 -20.498 1.00 0.00 C ATOM 981 CZ TYR A 70 44.307 -11.970 -20.028 1.00 0.00 C ATOM 982 OH TYR A 70 45.072 -12.751 -20.869 1.00 0.00 O ATOM 0 H TYR A 70 43.890 -8.264 -18.006 1.00 0.00 H new ATOM 0 HA TYR A 70 42.286 -8.164 -15.727 1.00 0.00 H new ATOM 0 HB2 TYR A 70 41.128 -10.152 -16.947 1.00 0.00 H new ATOM 0 HB3 TYR A 70 41.417 -8.748 -17.955 1.00 0.00 H new ATOM 0 HD1 TYR A 70 43.153 -11.883 -16.831 1.00 0.00 H new ATOM 0 HD2 TYR A 70 42.534 -9.063 -20.013 1.00 0.00 H new ATOM 0 HE1 TYR A 70 44.526 -13.289 -18.340 1.00 0.00 H new ATOM 0 HE2 TYR A 70 43.913 -10.470 -21.520 1.00 0.00 H new ATOM 0 HH TYR A 70 45.120 -12.330 -21.753 1.00 0.00 H new ATOM 992 N LEU A 71 42.216 -10.787 -14.972 1.00 0.00 N ATOM 993 CA LEU A 71 42.410 -11.884 -14.008 1.00 0.00 C ATOM 994 C LEU A 71 42.101 -13.224 -14.669 1.00 0.00 C ATOM 995 O LEU A 71 41.035 -13.435 -15.210 1.00 0.00 O ATOM 996 CB LEU A 71 41.419 -11.566 -12.878 1.00 0.00 C ATOM 997 CG LEU A 71 40.056 -11.148 -13.460 1.00 0.00 C ATOM 998 CD1 LEU A 71 39.198 -12.381 -13.699 1.00 0.00 C ATOM 999 CD2 LEU A 71 39.354 -10.209 -12.486 1.00 0.00 C ATOM 0 H LEU A 71 41.261 -10.692 -15.317 1.00 0.00 H new ATOM 0 HA LEU A 71 43.433 -11.961 -13.640 1.00 0.00 H new ATOM 0 HB2 LEU A 71 41.296 -12.439 -12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 71 41.815 -10.766 -12.253 1.00 0.00 H new ATOM 0 HG LEU A 71 40.210 -10.634 -14.409 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.235 -12.080 -14.111 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.702 -13.044 -14.402 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.042 -12.904 -12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.389 -9.913 -12.898 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.202 -10.719 -11.535 1.00 0.00 H new ATOM 0 HD23 LEU A 71 39.969 -9.323 -12.328 1.00 0.00 H new ATOM 1011 N SER A 72 43.035 -14.129 -14.632 1.00 0.00 N ATOM 1012 CA SER A 72 42.806 -15.457 -15.257 1.00 0.00 C ATOM 1013 C SER A 72 42.258 -16.429 -14.208 1.00 0.00 C ATOM 1014 O SER A 72 42.169 -17.620 -14.433 1.00 0.00 O ATOM 1015 CB SER A 72 44.185 -15.899 -15.747 1.00 0.00 C ATOM 1016 OG SER A 72 44.549 -17.118 -15.111 1.00 0.00 O ATOM 0 H SER A 72 43.948 -14.006 -14.195 1.00 0.00 H new ATOM 0 HA SER A 72 42.082 -15.426 -16.071 1.00 0.00 H new ATOM 0 HB2 SER A 72 44.173 -16.031 -16.829 1.00 0.00 H new ATOM 0 HB3 SER A 72 44.924 -15.128 -15.528 1.00 0.00 H new ATOM 0 HG SER A 72 45.432 -17.401 -15.427 1.00 0.00 H new ATOM 1022 N SER A 73 41.898 -15.925 -13.057 1.00 0.00 N ATOM 1023 CA SER A 73 41.362 -16.810 -11.983 1.00 0.00 C ATOM 1024 C SER A 73 39.893 -17.149 -12.246 1.00 0.00 C ATOM 1025 O SER A 73 39.557 -18.263 -12.594 1.00 0.00 O ATOM 1026 CB SER A 73 41.502 -15.998 -10.697 1.00 0.00 C ATOM 1027 OG SER A 73 42.594 -16.502 -9.942 1.00 0.00 O ATOM 0 H SER A 73 41.953 -14.936 -12.815 1.00 0.00 H new ATOM 0 HA SER A 73 41.896 -17.759 -11.930 1.00 0.00 H new ATOM 0 HB2 SER A 73 41.662 -14.946 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 73 40.583 -16.057 -10.114 1.00 0.00 H new ATOM 0 HG SER A 73 42.503 -16.221 -9.008 1.00 0.00 H new ATOM 1033 N GLY A 74 39.016 -16.199 -12.077 1.00 0.00 N ATOM 1034 CA GLY A 74 37.572 -16.475 -12.313 1.00 0.00 C ATOM 1035 C GLY A 74 36.768 -15.176 -12.233 1.00 0.00 C ATOM 1036 O GLY A 74 36.421 -14.712 -11.165 1.00 0.00 O ATOM 0 H GLY A 74 39.236 -15.246 -11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 74 37.437 -16.935 -13.292 1.00 0.00 H new ATOM 0 HA3 GLY A 74 37.204 -17.186 -11.573 1.00 0.00 H new ATOM 1040 N PHE A 75 36.463 -14.593 -13.359 1.00 0.00 N ATOM 1041 CA PHE A 75 35.672 -13.329 -13.360 1.00 0.00 C ATOM 1042 C PHE A 75 34.199 -13.645 -13.645 1.00 0.00 C ATOM 1043 O PHE A 75 33.835 -14.773 -13.915 1.00 0.00 O ATOM 1044 CB PHE A 75 36.317 -12.469 -14.466 1.00 0.00 C ATOM 1045 CG PHE A 75 35.276 -11.719 -15.276 1.00 0.00 C ATOM 1046 CD1 PHE A 75 34.404 -12.414 -16.126 1.00 0.00 C ATOM 1047 CD2 PHE A 75 35.194 -10.325 -15.182 1.00 0.00 C ATOM 1048 CE1 PHE A 75 33.451 -11.714 -16.876 1.00 0.00 C ATOM 1049 CE2 PHE A 75 34.240 -9.626 -15.932 1.00 0.00 C ATOM 1050 CZ PHE A 75 33.369 -10.320 -16.779 1.00 0.00 C ATOM 0 H PHE A 75 36.728 -14.938 -14.282 1.00 0.00 H new ATOM 0 HA PHE A 75 35.685 -12.804 -12.405 1.00 0.00 H new ATOM 0 HB2 PHE A 75 37.009 -11.757 -14.016 1.00 0.00 H new ATOM 0 HB3 PHE A 75 36.902 -13.107 -15.128 1.00 0.00 H new ATOM 0 HD1 PHE A 75 34.467 -13.489 -16.202 1.00 0.00 H new ATOM 0 HD2 PHE A 75 35.867 -9.788 -14.530 1.00 0.00 H new ATOM 0 HE1 PHE A 75 32.779 -12.250 -17.530 1.00 0.00 H new ATOM 0 HE2 PHE A 75 34.177 -8.551 -15.857 1.00 0.00 H new ATOM 0 HZ PHE A 75 32.634 -9.780 -17.358 1.00 0.00 H new ATOM 1060 N LYS A 76 33.353 -12.658 -13.580 1.00 0.00 N ATOM 1061 CA LYS A 76 31.905 -12.894 -13.838 1.00 0.00 C ATOM 1062 C LYS A 76 31.186 -11.556 -14.032 1.00 0.00 C ATOM 1063 O LYS A 76 31.733 -10.504 -13.770 1.00 0.00 O ATOM 1064 CB LYS A 76 31.394 -13.606 -12.584 1.00 0.00 C ATOM 1065 CG LYS A 76 30.106 -14.364 -12.911 1.00 0.00 C ATOM 1066 CD LYS A 76 29.012 -13.953 -11.924 1.00 0.00 C ATOM 1067 CE LYS A 76 29.167 -14.754 -10.628 1.00 0.00 C ATOM 1068 NZ LYS A 76 28.064 -14.279 -9.748 1.00 0.00 N ATOM 0 H LYS A 76 33.602 -11.694 -13.359 1.00 0.00 H new ATOM 0 HA LYS A 76 31.730 -13.483 -14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 76 32.150 -14.298 -12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 76 31.209 -12.881 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 76 29.791 -14.146 -13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 76 30.278 -15.439 -12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 76 29.079 -12.885 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 76 28.029 -14.132 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 76 29.090 -15.825 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 76 30.141 -14.579 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 28.104 -14.783 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 28.167 -13.257 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 27.149 -14.465 -10.207 1.00 0.00 H new ATOM 1082 N ARG A 77 29.966 -11.587 -14.494 1.00 0.00 N ATOM 1083 CA ARG A 77 29.216 -10.316 -14.710 1.00 0.00 C ATOM 1084 C ARG A 77 29.166 -9.490 -13.422 1.00 0.00 C ATOM 1085 O ARG A 77 29.132 -8.276 -13.454 1.00 0.00 O ATOM 1086 CB ARG A 77 27.810 -10.752 -15.122 1.00 0.00 C ATOM 1087 CG ARG A 77 27.584 -10.415 -16.597 1.00 0.00 C ATOM 1088 CD ARG A 77 26.151 -10.778 -16.993 1.00 0.00 C ATOM 1089 NE ARG A 77 25.531 -9.492 -17.421 1.00 0.00 N ATOM 1090 CZ ARG A 77 25.663 -9.081 -18.652 1.00 0.00 C ATOM 1091 NH1 ARG A 77 26.626 -9.548 -19.398 1.00 0.00 N ATOM 1092 NH2 ARG A 77 24.831 -8.200 -19.138 1.00 0.00 N ATOM 0 H ARG A 77 29.455 -12.438 -14.731 1.00 0.00 H new ATOM 0 HA ARG A 77 29.689 -9.687 -15.464 1.00 0.00 H new ATOM 0 HB2 ARG A 77 27.687 -11.823 -14.960 1.00 0.00 H new ATOM 0 HB3 ARG A 77 27.066 -10.249 -14.505 1.00 0.00 H new ATOM 0 HG2 ARG A 77 27.762 -9.353 -16.769 1.00 0.00 H new ATOM 0 HG3 ARG A 77 28.293 -10.962 -17.218 1.00 0.00 H new ATOM 0 HD2 ARG A 77 26.138 -11.510 -17.800 1.00 0.00 H new ATOM 0 HD3 ARG A 77 25.609 -11.218 -16.155 1.00 0.00 H new ATOM 0 HE ARG A 77 25.003 -8.933 -16.751 1.00 0.00 H new ATOM 0 HH11 ARG A 77 27.277 -10.236 -19.019 1.00 0.00 H new ATOM 0 HH12 ARG A 77 26.728 -9.226 -20.360 1.00 0.00 H new ATOM 0 HH21 ARG A 77 24.078 -7.833 -18.555 1.00 0.00 H new ATOM 0 HH22 ARG A 77 24.934 -7.878 -20.100 1.00 0.00 H new ATOM 1106 N SER A 78 29.160 -10.135 -12.289 1.00 0.00 N ATOM 1107 CA SER A 78 29.109 -9.378 -11.004 1.00 0.00 C ATOM 1108 C SER A 78 29.710 -10.212 -9.867 1.00 0.00 C ATOM 1109 O SER A 78 29.873 -11.411 -9.982 1.00 0.00 O ATOM 1110 CB SER A 78 27.622 -9.121 -10.756 1.00 0.00 C ATOM 1111 OG SER A 78 27.329 -7.758 -11.036 1.00 0.00 O ATOM 0 H SER A 78 29.188 -11.150 -12.196 1.00 0.00 H new ATOM 0 HA SER A 78 29.682 -8.452 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 78 27.018 -9.772 -11.388 1.00 0.00 H new ATOM 0 HB3 SER A 78 27.368 -9.355 -9.722 1.00 0.00 H new ATOM 0 HG SER A 78 27.800 -7.483 -11.850 1.00 0.00 H new ATOM 1117 N TYR A 79 30.044 -9.584 -8.770 1.00 0.00 N ATOM 1118 CA TYR A 79 30.637 -10.338 -7.625 1.00 0.00 C ATOM 1119 C TYR A 79 29.965 -9.928 -6.310 1.00 0.00 C ATOM 1120 O TYR A 79 28.922 -9.307 -6.300 1.00 0.00 O ATOM 1121 CB TYR A 79 32.113 -9.936 -7.603 1.00 0.00 C ATOM 1122 CG TYR A 79 32.710 -10.083 -8.983 1.00 0.00 C ATOM 1123 CD1 TYR A 79 32.391 -9.165 -9.993 1.00 0.00 C ATOM 1124 CD2 TYR A 79 33.590 -11.137 -9.249 1.00 0.00 C ATOM 1125 CE1 TYR A 79 32.953 -9.307 -11.266 1.00 0.00 C ATOM 1126 CE2 TYR A 79 34.151 -11.276 -10.521 1.00 0.00 C ATOM 1127 CZ TYR A 79 33.832 -10.361 -11.528 1.00 0.00 C ATOM 1128 OH TYR A 79 34.385 -10.500 -12.782 1.00 0.00 O ATOM 0 H TYR A 79 29.932 -8.582 -8.617 1.00 0.00 H new ATOM 0 HA TYR A 79 30.503 -11.414 -7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 79 32.212 -8.905 -7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 79 32.658 -10.560 -6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 79 31.713 -8.350 -9.789 1.00 0.00 H new ATOM 0 HD2 TYR A 79 33.836 -11.844 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 79 32.707 -8.602 -12.046 1.00 0.00 H new ATOM 0 HE2 TYR A 79 34.831 -12.090 -10.726 1.00 0.00 H new ATOM 0 HH TYR A 79 33.934 -9.895 -13.407 1.00 0.00 H new ATOM 1138 N SER A 80 30.567 -10.267 -5.199 1.00 0.00 N ATOM 1139 CA SER A 80 29.979 -9.893 -3.879 1.00 0.00 C ATOM 1140 C SER A 80 31.107 -9.539 -2.901 1.00 0.00 C ATOM 1141 O SER A 80 32.152 -9.070 -3.299 1.00 0.00 O ATOM 1142 CB SER A 80 29.235 -11.141 -3.407 1.00 0.00 C ATOM 1143 OG SER A 80 30.174 -12.093 -2.925 1.00 0.00 O ATOM 0 H SER A 80 31.443 -10.788 -5.150 1.00 0.00 H new ATOM 0 HA SER A 80 29.317 -9.030 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 80 28.527 -10.881 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 80 28.657 -11.566 -4.228 1.00 0.00 H new ATOM 0 HG SER A 80 29.700 -12.895 -2.620 1.00 0.00 H new ATOM 1149 N TYR A 81 30.925 -9.774 -1.631 1.00 0.00 N ATOM 1150 CA TYR A 81 32.015 -9.458 -0.665 1.00 0.00 C ATOM 1151 C TYR A 81 33.158 -10.464 -0.873 1.00 0.00 C ATOM 1152 O TYR A 81 32.930 -11.613 -1.193 1.00 0.00 O ATOM 1153 CB TYR A 81 31.360 -9.582 0.721 1.00 0.00 C ATOM 1154 CG TYR A 81 32.290 -10.255 1.704 1.00 0.00 C ATOM 1155 CD1 TYR A 81 33.532 -9.681 1.998 1.00 0.00 C ATOM 1156 CD2 TYR A 81 31.908 -11.451 2.324 1.00 0.00 C ATOM 1157 CE1 TYR A 81 34.392 -10.302 2.910 1.00 0.00 C ATOM 1158 CE2 TYR A 81 32.768 -12.072 3.236 1.00 0.00 C ATOM 1159 CZ TYR A 81 34.010 -11.498 3.529 1.00 0.00 C ATOM 1160 OH TYR A 81 34.859 -12.112 4.428 1.00 0.00 O ATOM 0 H TYR A 81 30.077 -10.167 -1.223 1.00 0.00 H new ATOM 0 HA TYR A 81 32.448 -8.465 -0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 81 31.091 -8.592 1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 81 30.436 -10.154 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 81 33.827 -8.758 1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 81 30.949 -11.894 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 81 35.350 -9.859 3.136 1.00 0.00 H new ATOM 0 HE2 TYR A 81 32.473 -12.995 3.714 1.00 0.00 H new ATOM 0 HH TYR A 81 34.441 -12.931 4.766 1.00 0.00 H new ATOM 1170 N ASN A 82 34.378 -10.034 -0.715 1.00 0.00 N ATOM 1171 CA ASN A 82 35.539 -10.953 -0.921 1.00 0.00 C ATOM 1172 C ASN A 82 35.629 -11.392 -2.386 1.00 0.00 C ATOM 1173 O ASN A 82 35.944 -10.600 -3.247 1.00 0.00 O ATOM 1174 CB ASN A 82 35.299 -12.149 0.001 1.00 0.00 C ATOM 1175 CG ASN A 82 36.543 -13.040 0.011 1.00 0.00 C ATOM 1176 OD1 ASN A 82 37.041 -13.418 -1.031 1.00 0.00 O ATOM 1177 ND2 ASN A 82 37.069 -13.391 1.151 1.00 0.00 N ATOM 0 H ASN A 82 34.625 -9.080 -0.451 1.00 0.00 H new ATOM 0 HA ASN A 82 36.484 -10.463 -0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 82 35.076 -11.805 1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 82 34.434 -12.717 -0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 82 37.899 -13.983 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 82 36.650 -13.073 2.025 1.00 0.00 H new ATOM 1184 N ASP A 83 35.387 -12.643 -2.687 1.00 0.00 N ATOM 1185 CA ASP A 83 35.510 -13.084 -4.104 1.00 0.00 C ATOM 1186 C ASP A 83 36.819 -12.531 -4.664 1.00 0.00 C ATOM 1187 O ASP A 83 36.855 -11.471 -5.257 1.00 0.00 O ATOM 1188 CB ASP A 83 34.301 -12.486 -4.827 1.00 0.00 C ATOM 1189 CG ASP A 83 33.016 -13.106 -4.274 1.00 0.00 C ATOM 1190 OD1 ASP A 83 32.922 -13.248 -3.066 1.00 0.00 O ATOM 1191 OD2 ASP A 83 32.147 -13.426 -5.068 1.00 0.00 O ATOM 0 H ASP A 83 35.114 -13.366 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 83 35.526 -14.168 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 83 34.282 -11.404 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 83 34.376 -12.673 -5.898 1.00 0.00 H new ATOM 1196 N ASN A 84 37.901 -13.221 -4.438 1.00 0.00 N ATOM 1197 CA ASN A 84 39.218 -12.714 -4.908 1.00 0.00 C ATOM 1198 C ASN A 84 39.503 -13.107 -6.363 1.00 0.00 C ATOM 1199 O ASN A 84 39.335 -14.246 -6.753 1.00 0.00 O ATOM 1200 CB ASN A 84 40.239 -13.364 -3.971 1.00 0.00 C ATOM 1201 CG ASN A 84 40.487 -14.814 -4.398 1.00 0.00 C ATOM 1202 OD1 ASN A 84 39.915 -15.729 -3.841 1.00 0.00 O ATOM 1203 ND2 ASN A 84 41.321 -15.061 -5.370 1.00 0.00 N ATOM 0 H ASN A 84 37.930 -14.115 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 84 39.253 -11.625 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 84 41.174 -12.804 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 84 39.874 -13.335 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 84 41.493 -16.023 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 84 41.801 -14.292 -5.838 1.00 0.00 H new ATOM 1210 N VAL A 85 39.980 -12.180 -7.155 1.00 0.00 N ATOM 1211 CA VAL A 85 40.327 -12.517 -8.568 1.00 0.00 C ATOM 1212 C VAL A 85 41.815 -12.245 -8.806 1.00 0.00 C ATOM 1213 O VAL A 85 42.276 -11.127 -8.685 1.00 0.00 O ATOM 1214 CB VAL A 85 39.491 -11.618 -9.484 1.00 0.00 C ATOM 1215 CG1 VAL A 85 38.037 -12.090 -9.503 1.00 0.00 C ATOM 1216 CG2 VAL A 85 39.554 -10.164 -9.012 1.00 0.00 C ATOM 0 H VAL A 85 40.143 -11.210 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 85 40.122 -13.568 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 85 39.901 -11.680 -10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 85 37.453 -11.443 -10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 85 37.992 -13.115 -9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 85 37.628 -12.049 -8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 85 38.954 -9.540 -9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 85 39.164 -10.094 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 85 40.588 -9.821 -9.028 1.00 0.00 H new ATOM 1226 N ASP A 86 42.569 -13.250 -9.151 1.00 0.00 N ATOM 1227 CA ASP A 86 44.025 -13.031 -9.406 1.00 0.00 C ATOM 1228 C ASP A 86 44.197 -12.308 -10.740 1.00 0.00 C ATOM 1229 O ASP A 86 43.568 -12.651 -11.719 1.00 0.00 O ATOM 1230 CB ASP A 86 44.636 -14.432 -9.473 1.00 0.00 C ATOM 1231 CG ASP A 86 46.138 -14.322 -9.745 1.00 0.00 C ATOM 1232 OD1 ASP A 86 46.765 -13.459 -9.154 1.00 0.00 O ATOM 1233 OD2 ASP A 86 46.634 -15.102 -10.541 1.00 0.00 O ATOM 0 H ASP A 86 42.245 -14.210 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 86 44.502 -12.424 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 86 44.463 -14.961 -8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 86 44.155 -15.013 -10.260 1.00 0.00 H new ATOM 1238 N PHE A 87 45.027 -11.302 -10.791 1.00 0.00 N ATOM 1239 CA PHE A 87 45.202 -10.567 -12.075 1.00 0.00 C ATOM 1240 C PHE A 87 46.387 -11.116 -12.867 1.00 0.00 C ATOM 1241 O PHE A 87 47.480 -11.279 -12.363 1.00 0.00 O ATOM 1242 CB PHE A 87 45.404 -9.105 -11.682 1.00 0.00 C ATOM 1243 CG PHE A 87 44.041 -8.504 -11.450 1.00 0.00 C ATOM 1244 CD1 PHE A 87 43.166 -8.343 -12.529 1.00 0.00 C ATOM 1245 CD2 PHE A 87 43.638 -8.143 -10.161 1.00 0.00 C ATOM 1246 CE1 PHE A 87 41.885 -7.824 -12.321 1.00 0.00 C ATOM 1247 CE2 PHE A 87 42.359 -7.615 -9.954 1.00 0.00 C ATOM 1248 CZ PHE A 87 41.482 -7.459 -11.035 1.00 0.00 C ATOM 0 H PHE A 87 45.585 -10.960 -10.009 1.00 0.00 H new ATOM 0 HA PHE A 87 44.339 -10.681 -12.731 1.00 0.00 H new ATOM 0 HB2 PHE A 87 46.014 -9.031 -10.781 1.00 0.00 H new ATOM 0 HB3 PHE A 87 45.931 -8.566 -12.469 1.00 0.00 H new ATOM 0 HD1 PHE A 87 43.481 -8.620 -13.524 1.00 0.00 H new ATOM 0 HD2 PHE A 87 44.312 -8.271 -9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 87 41.208 -7.705 -13.154 1.00 0.00 H new ATOM 0 HE2 PHE A 87 42.048 -7.328 -8.961 1.00 0.00 H new ATOM 0 HZ PHE A 87 40.493 -7.056 -10.874 1.00 0.00 H new ATOM 1258 N LYS A 88 46.150 -11.415 -14.113 1.00 0.00 N ATOM 1259 CA LYS A 88 47.211 -11.976 -14.989 1.00 0.00 C ATOM 1260 C LYS A 88 47.695 -10.930 -15.994 1.00 0.00 C ATOM 1261 O LYS A 88 47.108 -10.753 -17.043 1.00 0.00 O ATOM 1262 CB LYS A 88 46.504 -13.106 -15.728 1.00 0.00 C ATOM 1263 CG LYS A 88 47.537 -14.087 -16.288 1.00 0.00 C ATOM 1264 CD LYS A 88 47.467 -14.081 -17.817 1.00 0.00 C ATOM 1265 CE LYS A 88 48.584 -14.960 -18.387 1.00 0.00 C ATOM 1266 NZ LYS A 88 47.881 -16.062 -19.101 1.00 0.00 N ATOM 0 H LYS A 88 45.246 -11.291 -14.569 1.00 0.00 H new ATOM 0 HA LYS A 88 48.087 -12.301 -14.427 1.00 0.00 H new ATOM 0 HB2 LYS A 88 45.825 -13.626 -15.052 1.00 0.00 H new ATOM 0 HB3 LYS A 88 45.898 -12.700 -16.538 1.00 0.00 H new ATOM 0 HG2 LYS A 88 48.537 -13.807 -15.958 1.00 0.00 H new ATOM 0 HG3 LYS A 88 47.345 -15.090 -15.908 1.00 0.00 H new ATOM 0 HD2 LYS A 88 46.496 -14.450 -18.148 1.00 0.00 H new ATOM 0 HD3 LYS A 88 47.566 -13.062 -18.191 1.00 0.00 H new ATOM 0 HE2 LYS A 88 49.224 -14.395 -19.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 49.224 -15.348 -17.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 48.581 -16.707 -19.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 47.285 -16.586 -18.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 47.285 -15.663 -19.854 1.00 0.00 H new ATOM 1280 N CYS A 89 48.763 -10.246 -15.702 1.00 0.00 N ATOM 1281 CA CYS A 89 49.264 -9.235 -16.672 1.00 0.00 C ATOM 1282 C CYS A 89 49.305 -9.855 -18.069 1.00 0.00 C ATOM 1283 O CYS A 89 49.770 -10.964 -18.244 1.00 0.00 O ATOM 1284 CB CYS A 89 50.672 -8.890 -16.197 1.00 0.00 C ATOM 1285 SG CYS A 89 50.894 -7.098 -16.250 1.00 0.00 S ATOM 0 H CYS A 89 49.306 -10.341 -14.844 1.00 0.00 H new ATOM 0 HA CYS A 89 48.631 -8.349 -16.723 1.00 0.00 H new ATOM 0 HB2 CYS A 89 50.827 -9.258 -15.183 1.00 0.00 H new ATOM 0 HB3 CYS A 89 51.412 -9.379 -16.830 1.00 0.00 H new ATOM 1290 N LYS A 90 48.815 -9.161 -19.061 1.00 0.00 N ATOM 1291 CA LYS A 90 48.826 -9.732 -20.443 1.00 0.00 C ATOM 1292 C LYS A 90 50.146 -10.465 -20.704 1.00 0.00 C ATOM 1293 O LYS A 90 50.250 -11.663 -20.529 1.00 0.00 O ATOM 1294 CB LYS A 90 48.699 -8.531 -21.380 1.00 0.00 C ATOM 1295 CG LYS A 90 47.292 -8.500 -21.980 1.00 0.00 C ATOM 1296 CD LYS A 90 47.316 -9.153 -23.363 1.00 0.00 C ATOM 1297 CE LYS A 90 45.990 -9.877 -23.611 1.00 0.00 C ATOM 1298 NZ LYS A 90 46.372 -11.181 -24.219 1.00 0.00 N ATOM 0 H LYS A 90 48.409 -8.229 -18.977 1.00 0.00 H new ATOM 0 HA LYS A 90 48.021 -10.452 -20.590 1.00 0.00 H new ATOM 0 HB2 LYS A 90 48.894 -7.608 -20.834 1.00 0.00 H new ATOM 0 HB3 LYS A 90 49.443 -8.595 -22.174 1.00 0.00 H new ATOM 0 HG2 LYS A 90 46.595 -9.027 -21.329 1.00 0.00 H new ATOM 0 HG3 LYS A 90 46.940 -7.471 -22.057 1.00 0.00 H new ATOM 0 HD2 LYS A 90 47.478 -8.397 -24.131 1.00 0.00 H new ATOM 0 HD3 LYS A 90 48.145 -9.858 -23.429 1.00 0.00 H new ATOM 0 HE2 LYS A 90 45.439 -10.021 -22.682 1.00 0.00 H new ATOM 0 HE3 LYS A 90 45.346 -9.304 -24.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 45.515 -11.735 -24.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 46.889 -11.013 -25.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 46.979 -11.707 -23.559 1.00 0.00 H new ATOM 1312 N TYR A 91 51.153 -9.748 -21.116 1.00 0.00 N ATOM 1313 CA TYR A 91 52.472 -10.391 -21.386 1.00 0.00 C ATOM 1314 C TYR A 91 53.568 -9.324 -21.456 1.00 0.00 C ATOM 1315 O TYR A 91 53.403 -8.291 -22.073 1.00 0.00 O ATOM 1316 CB TYR A 91 52.308 -11.083 -22.737 1.00 0.00 C ATOM 1317 CG TYR A 91 52.126 -12.567 -22.522 1.00 0.00 C ATOM 1318 CD1 TYR A 91 53.139 -13.315 -21.909 1.00 0.00 C ATOM 1319 CD2 TYR A 91 50.947 -13.195 -22.939 1.00 0.00 C ATOM 1320 CE1 TYR A 91 52.971 -14.691 -21.712 1.00 0.00 C ATOM 1321 CE2 TYR A 91 50.779 -14.571 -22.742 1.00 0.00 C ATOM 1322 CZ TYR A 91 51.791 -15.319 -22.129 1.00 0.00 C ATOM 1323 OH TYR A 91 51.626 -16.676 -21.937 1.00 0.00 O ATOM 0 H TYR A 91 51.121 -8.742 -21.278 1.00 0.00 H new ATOM 0 HA TYR A 91 52.759 -11.094 -20.604 1.00 0.00 H new ATOM 0 HB2 TYR A 91 51.448 -10.673 -23.266 1.00 0.00 H new ATOM 0 HB3 TYR A 91 53.183 -10.899 -23.361 1.00 0.00 H new ATOM 0 HD1 TYR A 91 54.049 -12.831 -21.588 1.00 0.00 H new ATOM 0 HD2 TYR A 91 50.167 -12.618 -23.413 1.00 0.00 H new ATOM 0 HE1 TYR A 91 53.752 -15.268 -21.238 1.00 0.00 H new ATOM 0 HE2 TYR A 91 49.869 -15.055 -23.063 1.00 0.00 H new ATOM 0 HH TYR A 91 50.751 -16.951 -22.282 1.00 0.00 H new ATOM 1333 N GLY A 92 54.684 -9.563 -20.823 1.00 0.00 N ATOM 1334 CA GLY A 92 55.781 -8.556 -20.850 1.00 0.00 C ATOM 1335 C GLY A 92 55.321 -7.295 -20.114 1.00 0.00 C ATOM 1336 O GLY A 92 55.444 -6.193 -20.609 1.00 0.00 O ATOM 0 H GLY A 92 54.883 -10.410 -20.290 1.00 0.00 H new ATOM 0 HA2 GLY A 92 56.676 -8.962 -20.378 1.00 0.00 H new ATOM 0 HA3 GLY A 92 56.045 -8.315 -21.880 1.00 0.00 H new ATOM 1340 N TYR A 93 54.783 -7.456 -18.935 1.00 0.00 N ATOM 1341 CA TYR A 93 54.301 -6.277 -18.159 1.00 0.00 C ATOM 1342 C TYR A 93 54.349 -6.578 -16.660 1.00 0.00 C ATOM 1343 O TYR A 93 54.554 -7.703 -16.248 1.00 0.00 O ATOM 1344 CB TYR A 93 52.858 -6.078 -18.610 1.00 0.00 C ATOM 1345 CG TYR A 93 52.825 -5.479 -19.996 1.00 0.00 C ATOM 1346 CD1 TYR A 93 53.437 -4.244 -20.245 1.00 0.00 C ATOM 1347 CD2 TYR A 93 52.174 -6.158 -21.031 1.00 0.00 C ATOM 1348 CE1 TYR A 93 53.397 -3.690 -21.532 1.00 0.00 C ATOM 1349 CE2 TYR A 93 52.134 -5.606 -22.316 1.00 0.00 C ATOM 1350 CZ TYR A 93 52.745 -4.372 -22.567 1.00 0.00 C ATOM 1351 OH TYR A 93 52.704 -3.826 -23.834 1.00 0.00 O ATOM 0 H TYR A 93 54.656 -8.357 -18.474 1.00 0.00 H new ATOM 0 HA TYR A 93 54.913 -5.391 -18.328 1.00 0.00 H new ATOM 0 HB2 TYR A 93 52.333 -7.033 -18.606 1.00 0.00 H new ATOM 0 HB3 TYR A 93 52.337 -5.424 -17.910 1.00 0.00 H new ATOM 0 HD1 TYR A 93 53.939 -3.719 -19.446 1.00 0.00 H new ATOM 0 HD2 TYR A 93 51.701 -7.110 -20.838 1.00 0.00 H new ATOM 0 HE1 TYR A 93 53.869 -2.738 -21.725 1.00 0.00 H new ATOM 0 HE2 TYR A 93 51.632 -6.132 -23.114 1.00 0.00 H new ATOM 0 HH TYR A 93 52.215 -4.427 -24.434 1.00 0.00 H new ATOM 1361 N LYS A 94 54.150 -5.583 -15.841 1.00 0.00 N ATOM 1362 CA LYS A 94 54.171 -5.811 -14.369 1.00 0.00 C ATOM 1363 C LYS A 94 52.937 -5.169 -13.731 1.00 0.00 C ATOM 1364 O LYS A 94 52.830 -3.964 -13.636 1.00 0.00 O ATOM 1365 CB LYS A 94 55.451 -5.133 -13.879 1.00 0.00 C ATOM 1366 CG LYS A 94 56.606 -6.136 -13.927 1.00 0.00 C ATOM 1367 CD LYS A 94 57.359 -5.989 -15.251 1.00 0.00 C ATOM 1368 CE LYS A 94 58.427 -4.902 -15.114 1.00 0.00 C ATOM 1369 NZ LYS A 94 59.496 -5.293 -16.075 1.00 0.00 N ATOM 0 H LYS A 94 53.973 -4.620 -16.128 1.00 0.00 H new ATOM 0 HA LYS A 94 54.154 -6.869 -14.108 1.00 0.00 H new ATOM 0 HB2 LYS A 94 55.679 -4.268 -14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 94 55.315 -4.766 -12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 94 57.284 -5.966 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 94 56.223 -7.152 -13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 94 57.823 -6.937 -15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 94 56.664 -5.732 -16.050 1.00 0.00 H new ATOM 0 HE2 LYS A 94 58.022 -3.918 -15.352 1.00 0.00 H new ATOM 0 HE3 LYS A 94 58.811 -4.851 -14.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 60.266 -4.595 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 59.866 -6.231 -15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 59.103 -5.327 -17.037 1.00 0.00 H new ATOM 1383 N LEU A 95 51.998 -5.965 -13.306 1.00 0.00 N ATOM 1384 CA LEU A 95 50.766 -5.398 -12.688 1.00 0.00 C ATOM 1385 C LEU A 95 51.124 -4.325 -11.661 1.00 0.00 C ATOM 1386 O LEU A 95 51.518 -4.618 -10.550 1.00 0.00 O ATOM 1387 CB LEU A 95 50.082 -6.581 -12.000 1.00 0.00 C ATOM 1388 CG LEU A 95 49.391 -7.455 -13.044 1.00 0.00 C ATOM 1389 CD1 LEU A 95 49.025 -8.806 -12.426 1.00 0.00 C ATOM 1390 CD2 LEU A 95 48.123 -6.760 -13.533 1.00 0.00 C ATOM 0 H LEU A 95 52.029 -6.983 -13.359 1.00 0.00 H new ATOM 0 HA LEU A 95 50.122 -4.925 -13.430 1.00 0.00 H new ATOM 0 HB2 LEU A 95 50.817 -7.168 -11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 95 49.353 -6.220 -11.274 1.00 0.00 H new ATOM 0 HG LEU A 95 50.067 -7.614 -13.884 1.00 0.00 H new ATOM 0 HD11 LEU A 95 48.532 -9.427 -13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 95 49.930 -9.305 -12.080 1.00 0.00 H new ATOM 0 HD13 LEU A 95 48.352 -8.650 -11.583 1.00 0.00 H new ATOM 0 HD21 LEU A 95 47.630 -7.384 -14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 95 47.449 -6.599 -12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 95 48.383 -5.800 -13.979 1.00 0.00 H new ATOM 1402 N SER A 96 50.972 -3.083 -12.021 1.00 0.00 N ATOM 1403 CA SER A 96 51.281 -1.987 -11.066 1.00 0.00 C ATOM 1404 C SER A 96 50.095 -1.793 -10.118 1.00 0.00 C ATOM 1405 O SER A 96 49.121 -1.149 -10.455 1.00 0.00 O ATOM 1406 CB SER A 96 51.485 -0.748 -11.934 1.00 0.00 C ATOM 1407 OG SER A 96 50.841 0.362 -11.324 1.00 0.00 O ATOM 0 H SER A 96 50.646 -2.779 -12.939 1.00 0.00 H new ATOM 0 HA SER A 96 52.159 -2.195 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 96 52.549 -0.545 -12.054 1.00 0.00 H new ATOM 0 HB3 SER A 96 51.078 -0.917 -12.931 1.00 0.00 H new ATOM 0 HG SER A 96 49.876 0.196 -11.279 1.00 0.00 H new ATOM 1413 N GLY A 97 50.160 -2.355 -8.942 1.00 0.00 N ATOM 1414 CA GLY A 97 49.027 -2.204 -7.986 1.00 0.00 C ATOM 1415 C GLY A 97 48.876 -3.478 -7.153 1.00 0.00 C ATOM 1416 O GLY A 97 49.403 -3.585 -6.064 1.00 0.00 O ATOM 0 H GLY A 97 50.946 -2.910 -8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 97 49.203 -1.350 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 97 48.104 -2.004 -8.531 1.00 0.00 H new ATOM 1420 N SER A 98 48.150 -4.443 -7.650 1.00 0.00 N ATOM 1421 CA SER A 98 47.959 -5.705 -6.875 1.00 0.00 C ATOM 1422 C SER A 98 47.514 -6.846 -7.797 1.00 0.00 C ATOM 1423 O SER A 98 46.525 -6.742 -8.496 1.00 0.00 O ATOM 1424 CB SER A 98 46.860 -5.374 -5.869 1.00 0.00 C ATOM 1425 OG SER A 98 47.426 -5.282 -4.568 1.00 0.00 O ATOM 0 H SER A 98 47.682 -4.413 -8.556 1.00 0.00 H new ATOM 0 HA SER A 98 48.879 -6.036 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 98 46.378 -4.433 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 98 46.089 -6.144 -5.889 1.00 0.00 H new ATOM 0 HG SER A 98 48.231 -4.724 -4.600 1.00 0.00 H new ATOM 1431 N SER A 99 48.232 -7.937 -7.802 1.00 0.00 N ATOM 1432 CA SER A 99 47.846 -9.084 -8.678 1.00 0.00 C ATOM 1433 C SER A 99 46.566 -9.745 -8.165 1.00 0.00 C ATOM 1434 O SER A 99 45.591 -9.871 -8.878 1.00 0.00 O ATOM 1435 CB SER A 99 49.020 -10.059 -8.597 1.00 0.00 C ATOM 1436 OG SER A 99 48.894 -10.848 -7.422 1.00 0.00 O ATOM 0 H SER A 99 49.069 -8.085 -7.238 1.00 0.00 H new ATOM 0 HA SER A 99 47.647 -8.766 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 99 49.037 -10.699 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 99 49.962 -9.511 -8.582 1.00 0.00 H new ATOM 0 HG SER A 99 49.644 -11.476 -7.368 1.00 0.00 H new ATOM 1442 N SER A 100 46.563 -10.169 -6.936 1.00 0.00 N ATOM 1443 CA SER A 100 45.344 -10.823 -6.378 1.00 0.00 C ATOM 1444 C SER A 100 44.487 -9.795 -5.639 1.00 0.00 C ATOM 1445 O SER A 100 44.931 -9.157 -4.705 1.00 0.00 O ATOM 1446 CB SER A 100 45.868 -11.882 -5.411 1.00 0.00 C ATOM 1447 OG SER A 100 46.361 -11.244 -4.239 1.00 0.00 O ATOM 0 H SER A 100 47.350 -10.093 -6.291 1.00 0.00 H new ATOM 0 HA SER A 100 44.716 -11.260 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 100 45.072 -12.580 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 100 46.660 -12.463 -5.884 1.00 0.00 H new ATOM 0 HG SER A 100 46.282 -10.272 -4.338 1.00 0.00 H new ATOM 1453 N SER A 101 43.261 -9.628 -6.051 1.00 0.00 N ATOM 1454 CA SER A 101 42.374 -8.640 -5.373 1.00 0.00 C ATOM 1455 C SER A 101 41.130 -9.337 -4.831 1.00 0.00 C ATOM 1456 O SER A 101 41.008 -10.542 -4.895 1.00 0.00 O ATOM 1457 CB SER A 101 41.991 -7.641 -6.462 1.00 0.00 C ATOM 1458 OG SER A 101 43.108 -6.809 -6.751 1.00 0.00 O ATOM 0 H SER A 101 42.834 -10.133 -6.828 1.00 0.00 H new ATOM 0 HA SER A 101 42.864 -8.156 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 101 41.674 -8.169 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 101 41.146 -7.035 -6.135 1.00 0.00 H new ATOM 0 HG SER A 101 43.434 -7.001 -7.655 1.00 0.00 H new ATOM 1464 N THR A 102 40.201 -8.588 -4.302 1.00 0.00 N ATOM 1465 CA THR A 102 38.965 -9.218 -3.766 1.00 0.00 C ATOM 1466 C THR A 102 37.822 -8.211 -3.721 1.00 0.00 C ATOM 1467 O THR A 102 37.944 -7.126 -3.185 1.00 0.00 O ATOM 1468 CB THR A 102 39.322 -9.695 -2.358 1.00 0.00 C ATOM 1469 OG1 THR A 102 40.730 -9.856 -2.255 1.00 0.00 O ATOM 1470 CG2 THR A 102 38.628 -11.034 -2.085 1.00 0.00 C ATOM 0 H THR A 102 40.245 -7.572 -4.219 1.00 0.00 H new ATOM 0 HA THR A 102 38.629 -10.042 -4.396 1.00 0.00 H new ATOM 0 HB THR A 102 38.990 -8.958 -1.626 1.00 0.00 H new ATOM 0 HG1 THR A 102 40.959 -10.160 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 102 38.881 -11.377 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 102 37.548 -10.907 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 102 38.961 -11.772 -2.815 1.00 0.00 H new ATOM 1478 N CYS A 103 36.704 -8.578 -4.278 1.00 0.00 N ATOM 1479 CA CYS A 103 35.531 -7.671 -4.271 1.00 0.00 C ATOM 1480 C CYS A 103 35.048 -7.469 -2.837 1.00 0.00 C ATOM 1481 O CYS A 103 34.250 -8.229 -2.327 1.00 0.00 O ATOM 1482 CB CYS A 103 34.473 -8.400 -5.085 1.00 0.00 C ATOM 1483 SG CYS A 103 33.015 -7.350 -5.216 1.00 0.00 S ATOM 0 H CYS A 103 36.554 -9.475 -4.741 1.00 0.00 H new ATOM 0 HA CYS A 103 35.758 -6.687 -4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 103 34.857 -8.637 -6.077 1.00 0.00 H new ATOM 0 HB3 CYS A 103 34.215 -9.346 -4.608 1.00 0.00 H new ATOM 1488 N SER A 104 35.534 -6.459 -2.182 1.00 0.00 N ATOM 1489 CA SER A 104 35.113 -6.218 -0.775 1.00 0.00 C ATOM 1490 C SER A 104 33.676 -5.719 -0.717 1.00 0.00 C ATOM 1491 O SER A 104 33.019 -5.573 -1.728 1.00 0.00 O ATOM 1492 CB SER A 104 36.075 -5.152 -0.251 1.00 0.00 C ATOM 1493 OG SER A 104 36.647 -5.596 0.973 1.00 0.00 O ATOM 0 H SER A 104 36.205 -5.788 -2.557 1.00 0.00 H new ATOM 0 HA SER A 104 35.147 -7.130 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 104 36.859 -4.961 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 104 35.546 -4.211 -0.098 1.00 0.00 H new ATOM 0 HG SER A 104 37.266 -4.915 1.311 1.00 0.00 H new ATOM 1499 N PRO A 105 33.239 -5.484 0.485 1.00 0.00 N ATOM 1500 CA PRO A 105 31.867 -5.009 0.713 1.00 0.00 C ATOM 1501 C PRO A 105 31.776 -3.510 0.466 1.00 0.00 C ATOM 1502 O PRO A 105 32.466 -2.717 1.076 1.00 0.00 O ATOM 1503 CB PRO A 105 31.603 -5.361 2.169 1.00 0.00 C ATOM 1504 CG PRO A 105 32.949 -5.439 2.819 1.00 0.00 C ATOM 1505 CD PRO A 105 33.984 -5.637 1.736 1.00 0.00 C ATOM 0 HA PRO A 105 31.134 -5.459 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 105 30.981 -4.605 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 105 31.073 -6.310 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 105 33.154 -4.527 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 105 32.981 -6.264 3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 105 34.785 -4.902 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 105 34.447 -6.621 1.805 1.00 0.00 H new ATOM 1513 N GLY A 106 30.931 -3.126 -0.441 1.00 0.00 N ATOM 1514 CA GLY A 106 30.780 -1.689 -0.764 1.00 0.00 C ATOM 1515 C GLY A 106 30.816 -1.512 -2.287 1.00 0.00 C ATOM 1516 O GLY A 106 30.644 -0.421 -2.795 1.00 0.00 O ATOM 0 H GLY A 106 30.332 -3.754 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.840 -1.310 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.580 -1.113 -0.299 1.00 0.00 H new ATOM 1520 N ASN A 107 31.039 -2.589 -3.014 1.00 0.00 N ATOM 1521 CA ASN A 107 31.082 -2.530 -4.515 1.00 0.00 C ATOM 1522 C ASN A 107 32.437 -2.030 -5.011 1.00 0.00 C ATOM 1523 O ASN A 107 32.625 -0.852 -5.234 1.00 0.00 O ATOM 1524 CB ASN A 107 29.971 -1.563 -4.939 1.00 0.00 C ATOM 1525 CG ASN A 107 29.160 -2.180 -6.079 1.00 0.00 C ATOM 1526 OD1 ASN A 107 29.717 -2.643 -7.055 1.00 0.00 O ATOM 1527 ND2 ASN A 107 27.858 -2.206 -5.998 1.00 0.00 N ATOM 0 H ASN A 107 31.195 -3.518 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 107 30.938 -3.522 -4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 107 29.320 -1.347 -4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 107 30.403 -0.615 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 107 27.308 -2.615 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 107 27.390 -1.818 -5.179 1.00 0.00 H new ATOM 1534 N THR A 108 33.381 -2.917 -5.204 1.00 0.00 N ATOM 1535 CA THR A 108 34.714 -2.476 -5.706 1.00 0.00 C ATOM 1536 C THR A 108 35.697 -3.643 -5.786 1.00 0.00 C ATOM 1537 O THR A 108 35.321 -4.798 -5.742 1.00 0.00 O ATOM 1538 CB THR A 108 35.203 -1.442 -4.699 1.00 0.00 C ATOM 1539 OG1 THR A 108 34.439 -1.535 -3.505 1.00 0.00 O ATOM 1540 CG2 THR A 108 35.044 -0.056 -5.309 1.00 0.00 C ATOM 0 H THR A 108 33.286 -3.919 -5.037 1.00 0.00 H new ATOM 0 HA THR A 108 34.639 -2.069 -6.715 1.00 0.00 H new ATOM 0 HB THR A 108 36.251 -1.623 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 108 34.758 -0.869 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 108 35.390 0.696 -4.600 1.00 0.00 H new ATOM 0 HG22 THR A 108 35.634 0.009 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 108 33.994 0.121 -5.542 1.00 0.00 H new ATOM 1548 N TRP A 109 36.958 -3.337 -5.915 1.00 0.00 N ATOM 1549 CA TRP A 109 37.988 -4.406 -6.014 1.00 0.00 C ATOM 1550 C TRP A 109 39.229 -4.018 -5.207 1.00 0.00 C ATOM 1551 O TRP A 109 40.140 -3.390 -5.709 1.00 0.00 O ATOM 1552 CB TRP A 109 38.293 -4.500 -7.507 1.00 0.00 C ATOM 1553 CG TRP A 109 37.324 -5.456 -8.124 1.00 0.00 C ATOM 1554 CD1 TRP A 109 36.408 -5.150 -9.079 1.00 0.00 C ATOM 1555 CD2 TRP A 109 37.154 -6.871 -7.829 1.00 0.00 C ATOM 1556 NE1 TRP A 109 35.689 -6.292 -9.381 1.00 0.00 N ATOM 1557 CE2 TRP A 109 36.114 -7.380 -8.640 1.00 0.00 C ATOM 1558 CE3 TRP A 109 37.800 -7.751 -6.943 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 35.729 -8.722 -8.574 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 37.417 -9.100 -6.874 1.00 0.00 C ATOM 1561 CH2 TRP A 109 36.384 -9.585 -7.688 1.00 0.00 C ATOM 0 H TRP A 109 37.321 -2.385 -5.956 1.00 0.00 H new ATOM 0 HA TRP A 109 37.654 -5.362 -5.611 1.00 0.00 H new ATOM 0 HB2 TRP A 109 38.209 -3.519 -7.974 1.00 0.00 H new ATOM 0 HB3 TRP A 109 39.316 -4.841 -7.665 1.00 0.00 H new ATOM 0 HD1 TRP A 109 36.265 -4.178 -9.527 1.00 0.00 H new ATOM 0 HE1 TRP A 109 34.936 -6.328 -10.068 1.00 0.00 H new ATOM 0 HE3 TRP A 109 38.596 -7.387 -6.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 34.932 -9.090 -9.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 37.921 -9.767 -6.190 1.00 0.00 H new ATOM 0 HH2 TRP A 109 36.094 -10.624 -7.632 1.00 0.00 H new ATOM 1572 N LYS A 110 39.265 -4.386 -3.953 1.00 0.00 N ATOM 1573 CA LYS A 110 40.438 -4.038 -3.101 1.00 0.00 C ATOM 1574 C LYS A 110 41.388 -5.239 -2.993 1.00 0.00 C ATOM 1575 O LYS A 110 40.941 -6.364 -2.888 1.00 0.00 O ATOM 1576 CB LYS A 110 39.844 -3.705 -1.733 1.00 0.00 C ATOM 1577 CG LYS A 110 38.818 -2.580 -1.881 1.00 0.00 C ATOM 1578 CD LYS A 110 39.360 -1.308 -1.228 1.00 0.00 C ATOM 1579 CE LYS A 110 39.209 -0.132 -2.195 1.00 0.00 C ATOM 1580 NZ LYS A 110 37.773 0.251 -2.112 1.00 0.00 N ATOM 0 H LYS A 110 38.530 -4.914 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 110 41.016 -3.209 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 110 39.371 -4.589 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 110 40.634 -3.403 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 110 38.609 -2.400 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 110 37.876 -2.868 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 110 38.821 -1.103 -0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 110 40.409 -1.442 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 110 39.856 0.698 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 110 39.483 -0.418 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 37.363 0.271 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 37.262 -0.443 -1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 37.689 1.193 -1.680 1.00 0.00 H new ATOM 1594 N PRO A 111 42.673 -4.973 -3.013 1.00 0.00 N ATOM 1595 CA PRO A 111 43.190 -3.582 -3.142 1.00 0.00 C ATOM 1596 C PRO A 111 42.969 -3.048 -4.563 1.00 0.00 C ATOM 1597 O PRO A 111 42.534 -3.760 -5.446 1.00 0.00 O ATOM 1598 CB PRO A 111 44.680 -3.725 -2.842 1.00 0.00 C ATOM 1599 CG PRO A 111 45.003 -5.146 -3.170 1.00 0.00 C ATOM 1600 CD PRO A 111 43.760 -5.952 -2.910 1.00 0.00 C ATOM 0 HA PRO A 111 42.688 -2.879 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 111 45.272 -3.036 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 111 44.896 -3.502 -1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 111 45.313 -5.240 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 111 45.830 -5.505 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 111 43.645 -6.754 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 111 43.785 -6.418 -1.925 1.00 0.00 H new ATOM 1608 N GLU A 112 43.254 -1.792 -4.780 1.00 0.00 N ATOM 1609 CA GLU A 112 43.052 -1.197 -6.134 1.00 0.00 C ATOM 1610 C GLU A 112 43.493 -2.175 -7.230 1.00 0.00 C ATOM 1611 O GLU A 112 44.518 -2.821 -7.129 1.00 0.00 O ATOM 1612 CB GLU A 112 43.924 0.062 -6.150 1.00 0.00 C ATOM 1613 CG GLU A 112 45.393 -0.329 -6.329 1.00 0.00 C ATOM 1614 CD GLU A 112 46.277 0.905 -6.139 1.00 0.00 C ATOM 1615 OE1 GLU A 112 46.443 1.320 -5.004 1.00 0.00 O ATOM 1616 OE2 GLU A 112 46.773 1.412 -7.131 1.00 0.00 O ATOM 0 H GLU A 112 43.619 -1.150 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 112 42.003 -0.971 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 112 43.612 0.722 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 112 43.796 0.616 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 112 45.666 -1.099 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 112 45.549 -0.752 -7.321 1.00 0.00 H new ATOM 1623 N LEU A 113 42.725 -2.277 -8.281 1.00 0.00 N ATOM 1624 CA LEU A 113 43.086 -3.200 -9.397 1.00 0.00 C ATOM 1625 C LEU A 113 44.511 -2.920 -9.879 1.00 0.00 C ATOM 1626 O LEU A 113 44.955 -1.789 -9.895 1.00 0.00 O ATOM 1627 CB LEU A 113 42.069 -2.885 -10.497 1.00 0.00 C ATOM 1628 CG LEU A 113 41.152 -4.092 -10.747 1.00 0.00 C ATOM 1629 CD1 LEU A 113 40.798 -4.778 -9.424 1.00 0.00 C ATOM 1630 CD2 LEU A 113 39.865 -3.608 -11.420 1.00 0.00 C ATOM 0 H LEU A 113 41.858 -1.758 -8.416 1.00 0.00 H new ATOM 0 HA LEU A 113 43.060 -4.248 -9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 113 41.471 -2.020 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 113 42.590 -2.621 -11.417 1.00 0.00 H new ATOM 0 HG LEU A 113 41.670 -4.806 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 113 40.148 -5.631 -9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 113 41.711 -5.121 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 113 40.283 -4.071 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 113 39.207 -4.458 -11.602 1.00 0.00 H new ATOM 0 HD22 LEU A 113 39.362 -2.892 -10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 113 40.108 -3.129 -12.368 1.00 0.00 H new ATOM 1642 N PRO A 114 45.178 -3.974 -10.253 1.00 0.00 N ATOM 1643 CA PRO A 114 46.574 -3.868 -10.743 1.00 0.00 C ATOM 1644 C PRO A 114 46.623 -3.236 -12.136 1.00 0.00 C ATOM 1645 O PRO A 114 45.631 -3.166 -12.834 1.00 0.00 O ATOM 1646 CB PRO A 114 47.041 -5.320 -10.804 1.00 0.00 C ATOM 1647 CG PRO A 114 45.791 -6.125 -10.946 1.00 0.00 C ATOM 1648 CD PRO A 114 44.695 -5.359 -10.256 1.00 0.00 C ATOM 0 HA PRO A 114 47.195 -3.240 -10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 114 47.713 -5.483 -11.647 1.00 0.00 H new ATOM 0 HB3 PRO A 114 47.588 -5.597 -9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 114 45.550 -6.281 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 114 45.914 -7.111 -10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 114 43.748 -5.450 -10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 114 44.528 -5.726 -9.243 1.00 0.00 H new ATOM 1656 N LYS A 115 47.778 -2.785 -12.546 1.00 0.00 N ATOM 1657 CA LYS A 115 47.907 -2.169 -13.898 1.00 0.00 C ATOM 1658 C LYS A 115 49.052 -2.833 -14.664 1.00 0.00 C ATOM 1659 O LYS A 115 50.195 -2.737 -14.282 1.00 0.00 O ATOM 1660 CB LYS A 115 48.221 -0.696 -13.639 1.00 0.00 C ATOM 1661 CG LYS A 115 48.413 0.024 -14.974 1.00 0.00 C ATOM 1662 CD LYS A 115 47.604 1.322 -14.978 1.00 0.00 C ATOM 1663 CE LYS A 115 47.340 1.754 -16.422 1.00 0.00 C ATOM 1664 NZ LYS A 115 46.683 3.085 -16.308 1.00 0.00 N ATOM 0 H LYS A 115 48.640 -2.817 -12.001 1.00 0.00 H new ATOM 0 HA LYS A 115 47.004 -2.290 -14.496 1.00 0.00 H new ATOM 0 HB2 LYS A 115 47.410 -0.233 -13.077 1.00 0.00 H new ATOM 0 HB3 LYS A 115 49.122 -0.606 -13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 115 49.469 0.241 -15.133 1.00 0.00 H new ATOM 0 HG3 LYS A 115 48.093 -0.618 -15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 115 46.660 1.176 -14.452 1.00 0.00 H new ATOM 0 HD3 LYS A 115 48.147 2.103 -14.447 1.00 0.00 H new ATOM 0 HE2 LYS A 115 48.267 1.818 -16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 115 46.698 1.039 -16.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 46.470 3.449 -17.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 45.800 2.991 -15.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 47.320 3.746 -15.819 1.00 0.00 H new ATOM 1678 N CYS A 116 48.757 -3.508 -15.742 1.00 0.00 N ATOM 1679 CA CYS A 116 49.845 -4.171 -16.519 1.00 0.00 C ATOM 1680 C CYS A 116 50.757 -3.112 -17.131 1.00 0.00 C ATOM 1681 O CYS A 116 50.441 -2.501 -18.133 1.00 0.00 O ATOM 1682 CB CYS A 116 49.115 -4.979 -17.598 1.00 0.00 C ATOM 1683 SG CYS A 116 49.998 -6.524 -17.973 1.00 0.00 S ATOM 0 H CYS A 116 47.816 -3.629 -16.117 1.00 0.00 H new ATOM 0 HA CYS A 116 50.481 -4.811 -15.907 1.00 0.00 H new ATOM 0 HB2 CYS A 116 48.103 -5.207 -17.263 1.00 0.00 H new ATOM 0 HB3 CYS A 116 49.023 -4.380 -18.504 1.00 0.00 H new ATOM 1688 N VAL A 117 51.888 -2.885 -16.521 1.00 0.00 N ATOM 1689 CA VAL A 117 52.830 -1.859 -17.049 1.00 0.00 C ATOM 1690 C VAL A 117 54.145 -2.486 -17.442 1.00 0.00 C ATOM 1691 O VAL A 117 54.328 -3.683 -17.363 1.00 0.00 O ATOM 1692 CB VAL A 117 53.061 -0.873 -15.912 1.00 0.00 C ATOM 1693 CG1 VAL A 117 51.948 0.146 -15.939 1.00 0.00 C ATOM 1694 CG2 VAL A 117 53.059 -1.592 -14.560 1.00 0.00 C ATOM 0 H VAL A 117 52.201 -3.367 -15.678 1.00 0.00 H new ATOM 0 HA VAL A 117 52.418 -1.377 -17.936 1.00 0.00 H new ATOM 0 HB VAL A 117 54.031 -0.392 -16.041 1.00 0.00 H new ATOM 0 HG11 VAL A 117 52.093 0.864 -15.132 1.00 0.00 H new ATOM 0 HG12 VAL A 117 51.956 0.669 -16.896 1.00 0.00 H new ATOM 0 HG13 VAL A 117 50.990 -0.358 -15.809 1.00 0.00 H new ATOM 0 HG21 VAL A 117 53.226 -0.868 -13.763 1.00 0.00 H new ATOM 0 HG22 VAL A 117 52.097 -2.082 -14.410 1.00 0.00 H new ATOM 0 HG23 VAL A 117 53.853 -2.339 -14.544 1.00 0.00 H new ATOM 1704 N ARG A 118 55.067 -1.681 -17.864 1.00 0.00 N ATOM 1705 CA ARG A 118 56.373 -2.234 -18.261 1.00 0.00 C ATOM 1706 C ARG A 118 57.401 -2.039 -17.143 1.00 0.00 C ATOM 1707 O ARG A 118 56.988 -1.800 -16.021 1.00 0.00 O ATOM 1708 CB ARG A 118 56.779 -1.461 -19.515 1.00 0.00 C ATOM 1709 CG ARG A 118 56.142 -2.110 -20.744 1.00 0.00 C ATOM 1710 CD ARG A 118 57.053 -1.907 -21.957 1.00 0.00 C ATOM 1711 NE ARG A 118 57.747 -3.212 -22.140 1.00 0.00 N ATOM 1712 CZ ARG A 118 59.044 -3.285 -22.020 1.00 0.00 C ATOM 1713 NH1 ARG A 118 59.800 -2.345 -22.519 1.00 0.00 N ATOM 1714 NH2 ARG A 118 59.586 -4.298 -21.401 1.00 0.00 N ATOM 1715 OXT ARG A 118 58.583 -2.134 -17.430 1.00 0.00 O ATOM 0 H ARG A 118 54.971 -0.669 -17.950 1.00 0.00 H new ATOM 0 HA ARG A 118 56.320 -3.306 -18.451 1.00 0.00 H new ATOM 0 HB2 ARG A 118 56.460 -0.422 -19.433 1.00 0.00 H new ATOM 0 HB3 ARG A 118 57.864 -1.455 -19.616 1.00 0.00 H new ATOM 0 HG2 ARG A 118 55.986 -3.174 -20.567 1.00 0.00 H new ATOM 0 HG3 ARG A 118 55.162 -1.671 -20.934 1.00 0.00 H new ATOM 0 HD2 ARG A 118 56.477 -1.639 -22.843 1.00 0.00 H new ATOM 0 HD3 ARG A 118 57.766 -1.101 -21.784 1.00 0.00 H new ATOM 0 HE ARG A 118 57.208 -4.050 -22.359 1.00 0.00 H new ATOM 0 HH11 ARG A 118 59.377 -1.553 -23.003 1.00 0.00 H new ATOM 0 HH12 ARG A 118 60.814 -2.402 -22.425 1.00 0.00 H new ATOM 0 HH21 ARG A 118 58.996 -5.033 -21.011 1.00 0.00 H new ATOM 0 HH22 ARG A 118 60.600 -4.355 -21.307 1.00 0.00 H new