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 Set 1.1: A 84 ASN : amide:sc= -0.329 X(o=-0.23,f=-0.34!) USER MOD Set 1.2: A 102 THR OG1 : rot -61:sc= 0.101 USER MOD Set 2.1: A 80 SER OG : rot 140:sc= 0.478 USER MOD Set 2.2: A 82 ASN : amide:sc= -1.5 K(o=-1,f=-6.5!) USER MOD Set 3.1: A 68 ASN : amide:sc= -0.183 K(o=-0.18,f=-4.2!) USER MOD Set 3.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 55 THR OG1 : rot 159:sc= -6.42! USER MOD Set 4.2: A 57 GLN : amide:sc= -1.43! C(o=-7.8!,f=-11!) USER MOD Set 5.1: A 5 SER OG : rot 180:sc= -0.554 USER MOD Set 5.2: A 14 HIS : no HD1:sc= -13.5! C(o=-14!,f=-16!) USER MOD Single : A 1 VAL N :NH3+ -103:sc= -1.86! (180deg=-2.89!) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= -0.0431 (180deg=-0.363) USER MOD Single : A 4 GLN : amide:sc= 0.809 K(o=0.81,f=-6.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.211! K(o=-0.21!,f=-1.3) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 148:sc= -2.6! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -140:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.38! USER MOD Single : A 30 SER OG : rot 180:sc= 0.0538 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00132 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 60:sc= -5.84! 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 USER MOD Single : A 46 SER OG : rot 15:sc= 0.99 USER MOD Single : A 51 SER OG : rot 180:sc= -0.368 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -2.41 K(o=-2.4,f=-0.37) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -110:sc= -1.17 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -49:sc= 0.0243 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -14:sc= 0.0662! USER MOD Single : A 79 TYR OH : rot 122:sc= -3.76! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 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= 0.00505 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -48:sc= 0.058! USER MOD Single : A 98 SER OG : rot 53:sc= -0.391! USER MOD Single : A 99 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 100 SER OG : rot 19:sc= 0.991 USER MOD Single : A 101 SER OG : rot 133:sc= 0.0755! USER MOD Single : A 104 SER OG : rot 180:sc= -1.37! USER MOD Single : A 107 ASN : amide:sc= -4.28! C(o=-4.3!,f=-7.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.803 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.169 2.867 -9.192 1.00 0.00 N ATOM 2 CA VAL A 1 1.286 3.433 -10.251 1.00 0.00 C ATOM 3 C VAL A 1 1.891 4.723 -10.804 1.00 0.00 C ATOM 4 O VAL A 1 2.865 5.235 -10.288 1.00 0.00 O ATOM 5 CB VAL A 1 -0.040 3.722 -9.548 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.655 2.408 -9.064 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.209 4.641 -8.349 1.00 0.00 C ATOM 0 H1 VAL A 1 2.704 2.064 -9.579 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.831 3.599 -8.865 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.588 2.543 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 1 1.160 2.753 -11.093 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.723 4.209 -10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.601 2.612 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.831 1.753 -9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.028 1.922 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.736 4.848 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.891 4.154 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.649 5.577 -8.693 1.00 0.00 H new ATOM 19 N LYS A 2 1.323 5.254 -11.850 1.00 0.00 N ATOM 20 CA LYS A 2 1.869 6.512 -12.433 1.00 0.00 C ATOM 21 C LYS A 2 0.754 7.544 -12.607 1.00 0.00 C ATOM 22 O LYS A 2 -0.408 7.265 -12.385 1.00 0.00 O ATOM 23 CB LYS A 2 2.443 6.109 -13.791 1.00 0.00 C ATOM 24 CG LYS A 2 3.702 5.266 -13.583 1.00 0.00 C ATOM 25 CD LYS A 2 3.511 3.897 -14.236 1.00 0.00 C ATOM 26 CE LYS A 2 3.985 3.955 -15.690 1.00 0.00 C ATOM 27 NZ LYS A 2 2.755 4.227 -16.485 1.00 0.00 N ATOM 0 H LYS A 2 0.506 4.873 -12.326 1.00 0.00 H new ATOM 0 HA LYS A 2 2.624 6.966 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.703 5.543 -14.357 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.680 6.998 -14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.566 5.770 -14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.902 5.148 -12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.073 3.140 -13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.461 3.606 -14.196 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.728 4.739 -15.832 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.450 3.017 -15.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.960 4.097 -17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.003 3.569 -16.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.443 5.205 -16.318 1.00 0.00 H new ATOM 41 N CYS A 3 1.103 8.735 -13.002 1.00 0.00 N ATOM 42 CA CYS A 3 0.074 9.795 -13.193 1.00 0.00 C ATOM 43 C CYS A 3 0.254 10.458 -14.560 1.00 0.00 C ATOM 44 O CYS A 3 0.808 11.532 -14.665 1.00 0.00 O ATOM 45 CB CYS A 3 0.340 10.802 -12.074 1.00 0.00 C ATOM 46 SG CYS A 3 -0.856 10.564 -10.740 1.00 0.00 S ATOM 0 H CYS A 3 2.061 9.022 -13.202 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.942 9.402 -13.159 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.353 10.677 -11.693 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.269 11.818 -12.462 1.00 0.00 H new ATOM 51 N GLN A 4 -0.210 9.834 -15.609 1.00 0.00 N ATOM 52 CA GLN A 4 -0.053 10.447 -16.959 1.00 0.00 C ATOM 53 C GLN A 4 -0.473 11.915 -16.914 1.00 0.00 C ATOM 54 O GLN A 4 -0.982 12.393 -15.919 1.00 0.00 O ATOM 55 CB GLN A 4 -0.981 9.654 -17.878 1.00 0.00 C ATOM 56 CG GLN A 4 -0.496 8.206 -17.970 1.00 0.00 C ATOM 57 CD GLN A 4 -1.339 7.323 -17.049 1.00 0.00 C ATOM 58 OE1 GLN A 4 -1.372 7.531 -15.853 1.00 0.00 O ATOM 59 NE2 GLN A 4 -2.026 6.338 -17.559 1.00 0.00 N ATOM 0 H GLN A 4 -0.688 8.933 -15.590 1.00 0.00 H new ATOM 0 HA GLN A 4 0.979 10.415 -17.308 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.001 9.683 -17.495 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.000 10.106 -18.870 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.570 7.852 -18.998 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.555 8.145 -17.687 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.998 6.163 -18.564 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.591 5.743 -16.953 1.00 0.00 H new ATOM 68 N SER A 5 -0.272 12.634 -17.981 1.00 0.00 N ATOM 69 CA SER A 5 -0.674 14.069 -17.984 1.00 0.00 C ATOM 70 C SER A 5 -2.155 14.174 -17.611 1.00 0.00 C ATOM 71 O SER A 5 -2.937 13.303 -17.934 1.00 0.00 O ATOM 72 CB SER A 5 -0.428 14.558 -19.412 1.00 0.00 C ATOM 73 OG SER A 5 -1.638 14.469 -20.153 1.00 0.00 O ATOM 0 H SER A 5 0.150 12.295 -18.846 1.00 0.00 H new ATOM 0 HA SER A 5 -0.114 14.668 -17.266 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.070 15.588 -19.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.348 13.957 -19.886 1.00 0.00 H new ATOM 0 HG SER A 5 -1.485 14.783 -21.069 1.00 0.00 H new ATOM 79 N PRO A 6 -2.489 15.230 -16.924 1.00 0.00 N ATOM 80 CA PRO A 6 -3.890 15.437 -16.480 1.00 0.00 C ATOM 81 C PRO A 6 -4.807 15.733 -17.669 1.00 0.00 C ATOM 82 O PRO A 6 -4.366 16.214 -18.692 1.00 0.00 O ATOM 83 CB PRO A 6 -3.792 16.644 -15.554 1.00 0.00 C ATOM 84 CG PRO A 6 -2.572 17.373 -16.002 1.00 0.00 C ATOM 85 CD PRO A 6 -1.609 16.325 -16.500 1.00 0.00 C ATOM 0 HA PRO A 6 -4.315 14.559 -15.993 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.679 17.273 -15.630 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.708 16.336 -14.512 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.813 18.085 -16.791 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.136 17.942 -15.181 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.003 16.696 -17.326 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.920 16.007 -15.717 1.00 0.00 H new ATOM 93 N PRO A 7 -6.064 15.432 -17.484 1.00 0.00 N ATOM 94 CA PRO A 7 -7.073 15.668 -18.545 1.00 0.00 C ATOM 95 C PRO A 7 -7.382 17.162 -18.661 1.00 0.00 C ATOM 96 O PRO A 7 -6.907 17.967 -17.884 1.00 0.00 O ATOM 97 CB PRO A 7 -8.296 14.899 -18.052 1.00 0.00 C ATOM 98 CG PRO A 7 -8.136 14.825 -16.567 1.00 0.00 C ATOM 99 CD PRO A 7 -6.656 14.845 -16.278 1.00 0.00 C ATOM 0 HA PRO A 7 -6.742 15.346 -19.532 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.219 15.410 -18.324 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.341 13.904 -18.494 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.634 15.666 -16.084 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.593 13.916 -16.175 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.431 15.440 -15.393 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.272 13.842 -16.093 1.00 0.00 H new ATOM 107 N SER A 8 -8.173 17.538 -19.625 1.00 0.00 N ATOM 108 CA SER A 8 -8.512 18.981 -19.792 1.00 0.00 C ATOM 109 C SER A 8 -9.439 19.449 -18.673 1.00 0.00 C ATOM 110 O SER A 8 -9.817 18.692 -17.801 1.00 0.00 O ATOM 111 CB SER A 8 -9.223 19.071 -21.138 1.00 0.00 C ATOM 112 OG SER A 8 -8.725 18.059 -22.002 1.00 0.00 O ATOM 0 H SER A 8 -8.600 16.910 -20.306 1.00 0.00 H new ATOM 0 HA SER A 8 -7.624 19.612 -19.752 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.298 18.953 -21.003 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.064 20.054 -21.581 1.00 0.00 H new ATOM 0 HG SER A 8 -9.182 18.114 -22.867 1.00 0.00 H new ATOM 118 N ILE A 9 -9.806 20.699 -18.695 1.00 0.00 N ATOM 119 CA ILE A 9 -10.709 21.234 -17.635 1.00 0.00 C ATOM 120 C ILE A 9 -11.610 22.324 -18.176 1.00 0.00 C ATOM 121 O ILE A 9 -11.713 22.548 -19.366 1.00 0.00 O ATOM 122 CB ILE A 9 -9.819 21.823 -16.539 1.00 0.00 C ATOM 123 CG1 ILE A 9 -8.473 22.306 -17.103 1.00 0.00 C ATOM 124 CG2 ILE A 9 -9.587 20.763 -15.477 1.00 0.00 C ATOM 125 CD1 ILE A 9 -8.261 23.766 -16.702 1.00 0.00 C ATOM 0 H ILE A 9 -9.520 21.376 -19.402 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.345 20.433 -17.258 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.322 22.688 -16.107 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.661 21.688 -16.720 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.463 22.208 -18.189 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.953 21.170 -14.689 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.543 20.458 -15.052 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.097 19.899 -15.926 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.308 24.117 -17.098 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.069 24.375 -17.107 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.254 23.848 -15.615 1.00 0.00 H new ATOM 137 N SER A 10 -12.270 22.996 -17.287 1.00 0.00 N ATOM 138 CA SER A 10 -13.188 24.080 -17.701 1.00 0.00 C ATOM 139 C SER A 10 -12.462 25.085 -18.600 1.00 0.00 C ATOM 140 O SER A 10 -11.775 25.969 -18.128 1.00 0.00 O ATOM 141 CB SER A 10 -13.634 24.746 -16.400 1.00 0.00 C ATOM 142 OG SER A 10 -14.107 23.752 -15.501 1.00 0.00 O ATOM 0 H SER A 10 -12.212 22.839 -16.281 1.00 0.00 H new ATOM 0 HA SER A 10 -14.034 23.701 -18.275 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.802 25.291 -15.953 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.420 25.474 -16.602 1.00 0.00 H new ATOM 0 HG SER A 10 -14.392 24.176 -14.665 1.00 0.00 H new ATOM 148 N ASN A 11 -12.613 24.958 -19.891 1.00 0.00 N ATOM 149 CA ASN A 11 -11.936 25.908 -20.822 1.00 0.00 C ATOM 150 C ASN A 11 -10.513 26.205 -20.344 1.00 0.00 C ATOM 151 O ASN A 11 -10.175 27.332 -20.041 1.00 0.00 O ATOM 152 CB ASN A 11 -12.787 27.178 -20.782 1.00 0.00 C ATOM 153 CG ASN A 11 -13.971 27.030 -21.738 1.00 0.00 C ATOM 154 OD1 ASN A 11 -13.825 27.195 -22.933 1.00 0.00 O ATOM 155 ND2 ASN A 11 -15.146 26.723 -21.260 1.00 0.00 N ATOM 0 H ASN A 11 -13.176 24.237 -20.342 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.852 25.502 -21.830 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.145 27.357 -19.768 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.184 28.041 -21.064 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.942 26.621 -21.890 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -15.268 26.585 -20.257 1.00 0.00 H new ATOM 162 N GLY A 12 -9.677 25.206 -20.273 1.00 0.00 N ATOM 163 CA GLY A 12 -8.279 25.440 -19.814 1.00 0.00 C ATOM 164 C GLY A 12 -7.435 24.194 -20.086 1.00 0.00 C ATOM 165 O GLY A 12 -7.932 23.085 -20.102 1.00 0.00 O ATOM 0 H GLY A 12 -9.901 24.240 -20.512 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.854 26.300 -20.332 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.269 25.673 -18.749 1.00 0.00 H new ATOM 169 N ARG A 13 -6.160 24.367 -20.301 1.00 0.00 N ATOM 170 CA ARG A 13 -5.283 23.193 -20.573 1.00 0.00 C ATOM 171 C ARG A 13 -4.448 22.851 -19.348 1.00 0.00 C ATOM 172 O ARG A 13 -4.667 23.349 -18.261 1.00 0.00 O ATOM 173 CB ARG A 13 -4.376 23.621 -21.722 1.00 0.00 C ATOM 174 CG ARG A 13 -4.754 22.839 -22.980 1.00 0.00 C ATOM 175 CD ARG A 13 -3.683 23.048 -24.051 1.00 0.00 C ATOM 176 NE ARG A 13 -3.835 24.468 -24.471 1.00 0.00 N ATOM 177 CZ ARG A 13 -3.980 24.762 -25.733 1.00 0.00 C ATOM 178 NH1 ARG A 13 -3.478 23.977 -26.647 1.00 0.00 N ATOM 179 NH2 ARG A 13 -4.631 25.838 -26.083 1.00 0.00 N ATOM 0 H ARG A 13 -5.687 25.271 -20.300 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.867 22.306 -20.819 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.477 24.691 -21.901 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.333 23.437 -21.465 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.849 21.778 -22.747 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.724 23.172 -23.350 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.686 22.858 -23.655 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.827 22.369 -24.892 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.826 25.211 -23.772 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.973 23.134 -26.374 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.591 24.206 -27.634 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.027 26.450 -25.369 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.744 26.067 -27.070 1.00 0.00 H new ATOM 193 N HIS A 14 -3.495 21.994 -19.530 1.00 0.00 N ATOM 194 CA HIS A 14 -2.623 21.584 -18.395 1.00 0.00 C ATOM 195 C HIS A 14 -1.209 21.273 -18.894 1.00 0.00 C ATOM 196 O HIS A 14 -0.768 21.798 -19.896 1.00 0.00 O ATOM 197 CB HIS A 14 -3.291 20.336 -17.829 1.00 0.00 C ATOM 198 CG HIS A 14 -3.149 19.201 -18.800 1.00 0.00 C ATOM 199 ND1 HIS A 14 -2.091 18.315 -18.735 1.00 0.00 N ATOM 200 CD2 HIS A 14 -3.943 18.765 -19.830 1.00 0.00 C ATOM 201 CE1 HIS A 14 -2.277 17.390 -19.687 1.00 0.00 C ATOM 202 NE2 HIS A 14 -3.389 17.618 -20.391 1.00 0.00 N ATOM 0 H HIS A 14 -3.276 21.552 -20.423 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.518 22.366 -17.643 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.836 20.070 -16.875 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.346 20.532 -17.636 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.857 19.239 -20.156 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.608 16.560 -19.864 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.753 17.070 -21.171 1.00 0.00 H new ATOM 210 N ASN A 15 -0.494 20.429 -18.199 1.00 0.00 N ATOM 211 CA ASN A 15 0.895 20.089 -18.626 1.00 0.00 C ATOM 212 C ASN A 15 1.749 21.359 -18.693 1.00 0.00 C ATOM 213 O ASN A 15 1.256 22.437 -18.957 1.00 0.00 O ATOM 214 CB ASN A 15 0.751 19.456 -20.012 1.00 0.00 C ATOM 215 CG ASN A 15 2.139 19.194 -20.600 1.00 0.00 C ATOM 216 OD1 ASN A 15 2.500 19.761 -21.612 1.00 0.00 O ATOM 217 ND2 ASN A 15 2.938 18.352 -20.003 1.00 0.00 N ATOM 0 H ASN A 15 -0.813 19.959 -17.352 1.00 0.00 H new ATOM 0 HA ASN A 15 1.387 19.412 -17.928 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.192 18.523 -19.941 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.185 20.117 -20.668 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.866 18.170 -20.386 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.635 17.876 -19.153 1.00 0.00 H new ATOM 224 N GLY A 16 3.027 21.243 -18.448 1.00 0.00 N ATOM 225 CA GLY A 16 3.904 22.447 -18.494 1.00 0.00 C ATOM 226 C GLY A 16 5.296 22.051 -18.990 1.00 0.00 C ATOM 227 O GLY A 16 5.921 22.767 -19.747 1.00 0.00 O ATOM 0 H GLY A 16 3.500 20.369 -18.219 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.472 23.199 -19.155 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.974 22.896 -17.503 1.00 0.00 H new ATOM 231 N TYR A 17 5.790 20.917 -18.571 1.00 0.00 N ATOM 232 CA TYR A 17 7.144 20.488 -19.025 1.00 0.00 C ATOM 233 C TYR A 17 7.326 18.980 -18.826 1.00 0.00 C ATOM 234 O TYR A 17 8.375 18.523 -18.417 1.00 0.00 O ATOM 235 CB TYR A 17 8.124 21.262 -18.143 1.00 0.00 C ATOM 236 CG TYR A 17 9.537 20.914 -18.544 1.00 0.00 C ATOM 237 CD1 TYR A 17 9.851 20.713 -19.893 1.00 0.00 C ATOM 238 CD2 TYR A 17 10.531 20.787 -17.567 1.00 0.00 C ATOM 239 CE1 TYR A 17 11.159 20.385 -20.266 1.00 0.00 C ATOM 240 CE2 TYR A 17 11.840 20.459 -17.939 1.00 0.00 C ATOM 241 CZ TYR A 17 12.154 20.258 -19.289 1.00 0.00 C ATOM 242 OH TYR A 17 13.443 19.932 -19.658 1.00 0.00 O ATOM 0 H TYR A 17 5.317 20.272 -17.937 1.00 0.00 H new ATOM 0 HA TYR A 17 7.299 20.688 -20.085 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.957 22.334 -18.248 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.960 21.015 -17.094 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.083 20.811 -20.646 1.00 0.00 H new ATOM 0 HD2 TYR A 17 10.288 20.942 -16.526 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.401 20.230 -21.307 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.607 20.361 -17.185 1.00 0.00 H new ATOM 0 HH TYR A 17 14.010 19.885 -18.860 1.00 0.00 H new ATOM 252 N GLU A 18 6.319 18.204 -19.116 1.00 0.00 N ATOM 253 CA GLU A 18 6.443 16.728 -18.947 1.00 0.00 C ATOM 254 C GLU A 18 5.303 16.031 -19.686 1.00 0.00 C ATOM 255 O GLU A 18 4.610 16.634 -20.481 1.00 0.00 O ATOM 256 CB GLU A 18 6.343 16.480 -17.440 1.00 0.00 C ATOM 257 CG GLU A 18 5.249 17.366 -16.842 1.00 0.00 C ATOM 258 CD GLU A 18 5.887 18.607 -16.214 1.00 0.00 C ATOM 259 OE1 GLU A 18 6.957 18.474 -15.644 1.00 0.00 O ATOM 260 OE2 GLU A 18 5.296 19.669 -16.316 1.00 0.00 O ATOM 0 H GLU A 18 5.416 18.527 -19.463 1.00 0.00 H new ATOM 0 HA GLU A 18 7.378 16.340 -19.351 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.119 15.431 -17.249 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.299 16.694 -16.962 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.540 17.660 -17.616 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.688 16.812 -16.090 1.00 0.00 H new ATOM 267 N ASP A 19 5.098 14.771 -19.436 1.00 0.00 N ATOM 268 CA ASP A 19 3.997 14.058 -20.138 1.00 0.00 C ATOM 269 C ASP A 19 3.281 13.102 -19.186 1.00 0.00 C ATOM 270 O ASP A 19 2.071 12.992 -19.200 1.00 0.00 O ATOM 271 CB ASP A 19 4.680 13.283 -21.265 1.00 0.00 C ATOM 272 CG ASP A 19 4.722 14.143 -22.530 1.00 0.00 C ATOM 273 OD1 ASP A 19 4.910 15.341 -22.402 1.00 0.00 O ATOM 274 OD2 ASP A 19 4.565 13.587 -23.604 1.00 0.00 O ATOM 0 H ASP A 19 5.640 14.207 -18.781 1.00 0.00 H new ATOM 0 HA ASP A 19 3.241 14.746 -20.515 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.692 13.006 -20.968 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.141 12.356 -21.461 1.00 0.00 H new ATOM 279 N PHE A 20 4.008 12.404 -18.359 1.00 0.00 N ATOM 280 CA PHE A 20 3.339 11.462 -17.422 1.00 0.00 C ATOM 281 C PHE A 20 3.850 11.660 -15.994 1.00 0.00 C ATOM 282 O PHE A 20 4.946 11.266 -15.650 1.00 0.00 O ATOM 283 CB PHE A 20 3.689 10.064 -17.935 1.00 0.00 C ATOM 284 CG PHE A 20 5.187 9.932 -18.073 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.826 10.382 -19.234 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.936 9.357 -17.039 1.00 0.00 C ATOM 287 CE1 PHE A 20 7.214 10.258 -19.361 1.00 0.00 C ATOM 288 CE2 PHE A 20 7.324 9.233 -17.166 1.00 0.00 C ATOM 289 CZ PHE A 20 7.964 9.684 -18.327 1.00 0.00 C ATOM 0 H PHE A 20 5.025 12.444 -18.292 1.00 0.00 H new ATOM 0 HA PHE A 20 2.261 11.623 -17.388 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.310 9.308 -17.247 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.209 9.889 -18.898 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.248 10.825 -20.032 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.442 9.009 -16.144 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.707 10.605 -20.257 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.902 8.789 -16.369 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.035 9.589 -18.425 1.00 0.00 H new ATOM 299 N TYR A 21 3.050 12.258 -15.159 1.00 0.00 N ATOM 300 CA TYR A 21 3.465 12.475 -13.747 1.00 0.00 C ATOM 301 C TYR A 21 3.434 11.142 -12.991 1.00 0.00 C ATOM 302 O TYR A 21 3.403 10.086 -13.590 1.00 0.00 O ATOM 303 CB TYR A 21 2.437 13.450 -13.193 1.00 0.00 C ATOM 304 CG TYR A 21 2.904 14.855 -13.483 1.00 0.00 C ATOM 305 CD1 TYR A 21 4.082 15.328 -12.898 1.00 0.00 C ATOM 306 CD2 TYR A 21 2.164 15.683 -14.335 1.00 0.00 C ATOM 307 CE1 TYR A 21 4.522 16.629 -13.160 1.00 0.00 C ATOM 308 CE2 TYR A 21 2.604 16.985 -14.598 1.00 0.00 C ATOM 309 CZ TYR A 21 3.782 17.459 -14.010 1.00 0.00 C ATOM 310 OH TYR A 21 4.215 18.744 -14.268 1.00 0.00 O ATOM 0 H TYR A 21 2.121 12.608 -15.395 1.00 0.00 H new ATOM 0 HA TYR A 21 4.479 12.864 -13.652 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.463 13.273 -13.649 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.317 13.305 -12.119 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.653 14.687 -12.242 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.255 15.317 -14.789 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.432 16.993 -12.707 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.034 17.625 -15.255 1.00 0.00 H new ATOM 0 HH TYR A 21 3.955 19.000 -15.178 1.00 0.00 H new ATOM 320 N THR A 22 3.445 11.172 -11.686 1.00 0.00 N ATOM 321 CA THR A 22 3.419 9.889 -10.922 1.00 0.00 C ATOM 322 C THR A 22 2.718 10.066 -9.580 1.00 0.00 C ATOM 323 O THR A 22 1.684 9.481 -9.323 1.00 0.00 O ATOM 324 CB THR A 22 4.888 9.521 -10.709 1.00 0.00 C ATOM 325 OG1 THR A 22 5.705 10.652 -10.977 1.00 0.00 O ATOM 326 CG2 THR A 22 5.269 8.380 -11.650 1.00 0.00 C ATOM 0 H THR A 22 3.471 12.020 -11.119 1.00 0.00 H new ATOM 0 HA THR A 22 2.872 9.114 -11.458 1.00 0.00 H new ATOM 0 HB THR A 22 5.037 9.204 -9.677 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.646 10.416 -10.839 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.316 8.118 -11.498 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.643 7.512 -11.441 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.120 8.695 -12.683 1.00 0.00 H new ATOM 334 N ASP A 23 3.279 10.853 -8.718 1.00 0.00 N ATOM 335 CA ASP A 23 2.658 11.055 -7.381 1.00 0.00 C ATOM 336 C ASP A 23 3.279 12.274 -6.700 1.00 0.00 C ATOM 337 O ASP A 23 4.442 12.574 -6.883 1.00 0.00 O ATOM 338 CB ASP A 23 2.982 9.770 -6.620 1.00 0.00 C ATOM 339 CG ASP A 23 2.818 10.003 -5.117 1.00 0.00 C ATOM 340 OD1 ASP A 23 2.068 10.894 -4.754 1.00 0.00 O ATOM 341 OD2 ASP A 23 3.445 9.286 -4.354 1.00 0.00 O ATOM 0 H ASP A 23 4.144 11.369 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 23 1.585 11.240 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.322 8.967 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.002 9.454 -6.839 1.00 0.00 H new ATOM 346 N GLY A 24 2.511 12.992 -5.931 1.00 0.00 N ATOM 347 CA GLY A 24 3.062 14.201 -5.263 1.00 0.00 C ATOM 348 C GLY A 24 3.406 15.234 -6.335 1.00 0.00 C ATOM 349 O GLY A 24 4.114 16.190 -6.091 1.00 0.00 O ATOM 0 H GLY A 24 1.529 12.795 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.335 14.611 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.950 13.943 -4.687 1.00 0.00 H new ATOM 353 N SER A 25 2.905 15.042 -7.527 1.00 0.00 N ATOM 354 CA SER A 25 3.194 16.005 -8.627 1.00 0.00 C ATOM 355 C SER A 25 2.046 17.000 -8.763 1.00 0.00 C ATOM 356 O SER A 25 0.967 16.791 -8.245 1.00 0.00 O ATOM 357 CB SER A 25 3.311 15.144 -9.882 1.00 0.00 C ATOM 358 OG SER A 25 3.975 13.929 -9.559 1.00 0.00 O ATOM 0 H SER A 25 2.307 14.257 -7.785 1.00 0.00 H new ATOM 0 HA SER A 25 4.099 16.585 -8.447 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.321 14.934 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.864 15.680 -10.654 1.00 0.00 H new ATOM 0 HG SER A 25 4.591 13.690 -10.283 1.00 0.00 H new ATOM 364 N VAL A 26 2.267 18.084 -9.450 1.00 0.00 N ATOM 365 CA VAL A 26 1.180 19.086 -9.604 1.00 0.00 C ATOM 366 C VAL A 26 1.149 19.626 -11.027 1.00 0.00 C ATOM 367 O VAL A 26 2.137 19.616 -11.733 1.00 0.00 O ATOM 368 CB VAL A 26 1.519 20.192 -8.602 1.00 0.00 C ATOM 369 CG1 VAL A 26 0.657 21.423 -8.872 1.00 0.00 C ATOM 370 CG2 VAL A 26 1.249 19.692 -7.184 1.00 0.00 C ATOM 0 H VAL A 26 3.147 18.318 -9.909 1.00 0.00 H new ATOM 0 HA VAL A 26 0.194 18.660 -9.418 1.00 0.00 H new ATOM 0 HB VAL A 26 2.571 20.458 -8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.905 22.205 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.846 21.785 -9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.396 21.159 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.490 20.478 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.197 19.423 -7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.867 18.817 -6.983 1.00 0.00 H new ATOM 380 N VAL A 27 0.010 20.083 -11.458 1.00 0.00 N ATOM 381 CA VAL A 27 -0.094 20.605 -12.843 1.00 0.00 C ATOM 382 C VAL A 27 -0.784 21.957 -12.878 1.00 0.00 C ATOM 383 O VAL A 27 -1.917 22.101 -12.471 1.00 0.00 O ATOM 384 CB VAL A 27 -0.929 19.567 -13.579 1.00 0.00 C ATOM 385 CG1 VAL A 27 -1.525 20.168 -14.854 1.00 0.00 C ATOM 386 CG2 VAL A 27 -0.027 18.413 -13.947 1.00 0.00 C ATOM 0 H VAL A 27 -0.851 20.117 -10.912 1.00 0.00 H new ATOM 0 HA VAL A 27 0.888 20.756 -13.292 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.745 19.232 -12.939 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.119 19.413 -15.369 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.160 21.015 -14.595 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.721 20.505 -15.508 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.604 17.655 -14.476 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.778 18.771 -14.589 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.397 17.979 -13.041 1.00 0.00 H new ATOM 396 N THR A 28 -0.133 22.946 -13.400 1.00 0.00 N ATOM 397 CA THR A 28 -0.802 24.255 -13.489 1.00 0.00 C ATOM 398 C THR A 28 -1.745 24.213 -14.684 1.00 0.00 C ATOM 399 O THR A 28 -1.326 24.283 -15.823 1.00 0.00 O ATOM 400 CB THR A 28 0.305 25.291 -13.685 1.00 0.00 C ATOM 401 OG1 THR A 28 1.570 24.643 -13.692 1.00 0.00 O ATOM 402 CG2 THR A 28 0.249 26.304 -12.542 1.00 0.00 C ATOM 0 H THR A 28 0.819 22.905 -13.763 1.00 0.00 H new ATOM 0 HA THR A 28 -1.384 24.504 -12.602 1.00 0.00 H new ATOM 0 HB THR A 28 0.164 25.805 -14.636 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.278 25.309 -13.819 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.036 27.046 -12.675 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.722 26.800 -12.543 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.393 25.789 -11.592 1.00 0.00 H new ATOM 410 N TYR A 29 -3.013 24.066 -14.438 1.00 0.00 N ATOM 411 CA TYR A 29 -3.974 23.984 -15.569 1.00 0.00 C ATOM 412 C TYR A 29 -4.037 25.336 -16.282 1.00 0.00 C ATOM 413 O TYR A 29 -4.587 26.290 -15.773 1.00 0.00 O ATOM 414 CB TYR A 29 -5.331 23.672 -14.926 1.00 0.00 C ATOM 415 CG TYR A 29 -5.560 22.177 -14.800 1.00 0.00 C ATOM 416 CD1 TYR A 29 -4.619 21.253 -15.281 1.00 0.00 C ATOM 417 CD2 TYR A 29 -6.733 21.718 -14.187 1.00 0.00 C ATOM 418 CE1 TYR A 29 -4.857 19.880 -15.149 1.00 0.00 C ATOM 419 CE2 TYR A 29 -6.969 20.345 -14.057 1.00 0.00 C ATOM 420 CZ TYR A 29 -6.032 19.426 -14.538 1.00 0.00 C ATOM 421 OH TYR A 29 -6.265 18.071 -14.411 1.00 0.00 O ATOM 0 H TYR A 29 -3.425 23.999 -13.507 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.687 23.229 -16.302 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.381 24.133 -13.939 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.128 24.113 -15.525 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.712 21.601 -15.753 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.458 22.426 -13.813 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.133 19.169 -15.519 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.875 19.995 -13.585 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.125 17.927 -13.963 1.00 0.00 H new ATOM 431 N SER A 30 -3.475 25.434 -17.451 1.00 0.00 N ATOM 432 CA SER A 30 -3.505 26.737 -18.173 1.00 0.00 C ATOM 433 C SER A 30 -4.930 27.059 -18.629 1.00 0.00 C ATOM 434 O SER A 30 -5.766 26.187 -18.756 1.00 0.00 O ATOM 435 CB SER A 30 -2.585 26.545 -19.377 1.00 0.00 C ATOM 436 OG SER A 30 -1.536 25.652 -19.028 1.00 0.00 O ATOM 0 H SER A 30 -2.998 24.675 -17.937 1.00 0.00 H new ATOM 0 HA SER A 30 -3.181 27.565 -17.542 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.149 26.149 -20.221 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.173 27.504 -19.691 1.00 0.00 H new ATOM 0 HG SER A 30 -0.944 25.525 -19.799 1.00 0.00 H new ATOM 442 N CYS A 31 -5.213 28.309 -18.869 1.00 0.00 N ATOM 443 CA CYS A 31 -6.584 28.692 -19.309 1.00 0.00 C ATOM 444 C CYS A 31 -6.524 29.441 -20.642 1.00 0.00 C ATOM 445 O CYS A 31 -5.591 30.171 -20.912 1.00 0.00 O ATOM 446 CB CYS A 31 -7.109 29.612 -18.206 1.00 0.00 C ATOM 447 SG CYS A 31 -6.799 28.858 -16.589 1.00 0.00 S ATOM 0 H CYS A 31 -4.554 29.082 -18.779 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.225 27.824 -19.460 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.619 30.584 -18.265 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.177 29.784 -18.340 1.00 0.00 H new ATOM 452 N ASN A 32 -7.513 29.270 -21.476 1.00 0.00 N ATOM 453 CA ASN A 32 -7.508 29.979 -22.788 1.00 0.00 C ATOM 454 C ASN A 32 -7.080 31.435 -22.593 1.00 0.00 C ATOM 455 O ASN A 32 -7.482 32.088 -21.651 1.00 0.00 O ATOM 456 CB ASN A 32 -8.953 29.907 -23.283 1.00 0.00 C ATOM 457 CG ASN A 32 -9.188 28.565 -23.978 1.00 0.00 C ATOM 458 OD1 ASN A 32 -9.026 27.521 -23.378 1.00 0.00 O ATOM 459 ND2 ASN A 32 -9.567 28.547 -25.226 1.00 0.00 N ATOM 0 H ASN A 32 -8.322 28.672 -21.307 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.813 29.533 -23.499 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.642 30.020 -22.446 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.153 30.726 -23.974 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.727 27.657 -25.698 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.703 29.423 -25.730 1.00 0.00 H new ATOM 466 N SER A 33 -6.265 31.950 -23.472 1.00 0.00 N ATOM 467 CA SER A 33 -5.814 33.364 -23.328 1.00 0.00 C ATOM 468 C SER A 33 -7.000 34.266 -22.970 1.00 0.00 C ATOM 469 O SER A 33 -7.755 34.683 -23.826 1.00 0.00 O ATOM 470 CB SER A 33 -5.247 33.741 -24.695 1.00 0.00 C ATOM 471 OG SER A 33 -5.202 35.157 -24.811 1.00 0.00 O ATOM 0 H SER A 33 -5.892 31.455 -24.282 1.00 0.00 H new ATOM 0 HA SER A 33 -5.076 33.482 -22.535 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.247 33.323 -24.815 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.866 33.319 -25.487 1.00 0.00 H new ATOM 0 HG SER A 33 -4.837 35.402 -25.687 1.00 0.00 H new ATOM 477 N GLY A 34 -7.168 34.571 -21.712 1.00 0.00 N ATOM 478 CA GLY A 34 -8.303 35.446 -21.302 1.00 0.00 C ATOM 479 C GLY A 34 -9.115 34.760 -20.201 1.00 0.00 C ATOM 480 O GLY A 34 -10.079 35.303 -19.701 1.00 0.00 O ATOM 0 H GLY A 34 -6.569 34.252 -20.951 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.925 36.404 -20.945 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.941 35.655 -22.160 1.00 0.00 H new ATOM 484 N TYR A 35 -8.736 33.569 -19.820 1.00 0.00 N ATOM 485 CA TYR A 35 -9.493 32.854 -18.751 1.00 0.00 C ATOM 486 C TYR A 35 -8.694 32.849 -17.443 1.00 0.00 C ATOM 487 O TYR A 35 -7.484 32.741 -17.441 1.00 0.00 O ATOM 488 CB TYR A 35 -9.673 31.429 -19.274 1.00 0.00 C ATOM 489 CG TYR A 35 -10.949 31.340 -20.079 1.00 0.00 C ATOM 490 CD1 TYR A 35 -10.966 31.750 -21.418 1.00 0.00 C ATOM 491 CD2 TYR A 35 -12.115 30.842 -19.486 1.00 0.00 C ATOM 492 CE1 TYR A 35 -12.149 31.663 -22.162 1.00 0.00 C ATOM 493 CE2 TYR A 35 -13.297 30.754 -20.229 1.00 0.00 C ATOM 494 CZ TYR A 35 -13.315 31.164 -21.567 1.00 0.00 C ATOM 495 OH TYR A 35 -14.481 31.077 -22.300 1.00 0.00 O ATOM 0 H TYR A 35 -7.938 33.062 -20.201 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.448 33.333 -18.536 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.821 31.148 -19.893 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -9.707 30.727 -18.441 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.067 32.133 -21.877 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.102 30.525 -18.454 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -12.163 31.980 -23.194 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -14.196 30.370 -19.770 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.194 30.709 -21.738 1.00 0.00 H new ATOM 505 N SER A 36 -9.367 32.970 -16.332 1.00 0.00 N ATOM 506 CA SER A 36 -8.660 32.980 -15.018 1.00 0.00 C ATOM 507 C SER A 36 -8.577 31.571 -14.435 1.00 0.00 C ATOM 508 O SER A 36 -9.517 30.803 -14.497 1.00 0.00 O ATOM 509 CB SER A 36 -9.517 33.863 -14.120 1.00 0.00 C ATOM 510 OG SER A 36 -8.796 35.047 -13.805 1.00 0.00 O ATOM 0 H SER A 36 -10.381 33.063 -16.277 1.00 0.00 H new ATOM 0 HA SER A 36 -7.637 33.344 -15.112 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.452 34.114 -14.622 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.779 33.328 -13.207 1.00 0.00 H new ATOM 0 HG SER A 36 -8.579 35.528 -14.631 1.00 0.00 H new ATOM 516 N LEU A 37 -7.461 31.233 -13.851 1.00 0.00 N ATOM 517 CA LEU A 37 -7.320 29.882 -13.244 1.00 0.00 C ATOM 518 C LEU A 37 -7.741 29.941 -11.777 1.00 0.00 C ATOM 519 O LEU A 37 -6.983 30.349 -10.919 1.00 0.00 O ATOM 520 CB LEU A 37 -5.835 29.543 -13.363 1.00 0.00 C ATOM 521 CG LEU A 37 -5.545 28.250 -12.600 1.00 0.00 C ATOM 522 CD1 LEU A 37 -5.594 27.070 -13.568 1.00 0.00 C ATOM 523 CD2 LEU A 37 -4.153 28.328 -11.965 1.00 0.00 C ATOM 0 H LEU A 37 -6.641 31.834 -13.768 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.942 29.133 -13.734 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.560 29.429 -14.412 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.232 30.358 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.292 28.115 -11.818 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.388 26.147 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.584 27.012 -14.021 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.846 27.208 -14.348 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.949 27.405 -11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.404 28.463 -12.745 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.114 29.171 -11.275 1.00 0.00 H new ATOM 535 N ILE A 38 -8.943 29.540 -11.480 1.00 0.00 N ATOM 536 CA ILE A 38 -9.406 29.582 -10.063 1.00 0.00 C ATOM 537 C ILE A 38 -9.025 28.280 -9.360 1.00 0.00 C ATOM 538 O ILE A 38 -8.995 27.226 -9.962 1.00 0.00 O ATOM 539 CB ILE A 38 -10.935 29.727 -10.098 1.00 0.00 C ATOM 540 CG1 ILE A 38 -11.409 30.365 -11.417 1.00 0.00 C ATOM 541 CG2 ILE A 38 -11.379 30.605 -8.935 1.00 0.00 C ATOM 542 CD1 ILE A 38 -10.589 31.623 -11.712 1.00 0.00 C ATOM 0 H ILE A 38 -9.624 29.186 -12.152 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.947 30.410 -9.523 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.374 28.733 -10.020 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.304 29.652 -12.234 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.467 30.618 -11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.464 30.712 -8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.076 30.144 -7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.916 31.588 -9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.930 32.069 -12.646 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.717 32.339 -10.900 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.535 31.358 -11.800 1.00 0.00 H new ATOM 554 N GLY A 39 -8.734 28.343 -8.094 1.00 0.00 N ATOM 555 CA GLY A 39 -8.355 27.106 -7.360 1.00 0.00 C ATOM 556 C GLY A 39 -6.838 27.054 -7.203 1.00 0.00 C ATOM 557 O GLY A 39 -6.132 27.961 -7.599 1.00 0.00 O ATOM 0 H GLY A 39 -8.742 29.196 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.834 27.090 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.706 26.227 -7.901 1.00 0.00 H new ATOM 561 N ASN A 40 -6.327 25.999 -6.632 1.00 0.00 N ATOM 562 CA ASN A 40 -4.853 25.894 -6.456 1.00 0.00 C ATOM 563 C ASN A 40 -4.158 26.050 -7.809 1.00 0.00 C ATOM 564 O ASN A 40 -4.557 25.463 -8.796 1.00 0.00 O ATOM 565 CB ASN A 40 -4.619 24.496 -5.883 1.00 0.00 C ATOM 566 CG ASN A 40 -4.473 24.587 -4.363 1.00 0.00 C ATOM 567 OD1 ASN A 40 -5.379 24.239 -3.632 1.00 0.00 O ATOM 568 ND2 ASN A 40 -3.363 25.046 -3.852 1.00 0.00 N ATOM 0 H ASN A 40 -6.865 25.207 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.454 26.668 -5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.452 23.841 -6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.722 24.058 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.257 25.112 -2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.602 25.338 -4.465 1.00 0.00 H new ATOM 575 N SER A 41 -3.122 26.838 -7.865 1.00 0.00 N ATOM 576 CA SER A 41 -2.401 27.035 -9.154 1.00 0.00 C ATOM 577 C SER A 41 -1.579 25.790 -9.495 1.00 0.00 C ATOM 578 O SER A 41 -0.390 25.866 -9.732 1.00 0.00 O ATOM 579 CB SER A 41 -1.486 28.234 -8.911 1.00 0.00 C ATOM 580 OG SER A 41 -1.702 29.205 -9.926 1.00 0.00 O ATOM 0 H SER A 41 -2.742 27.356 -7.072 1.00 0.00 H new ATOM 0 HA SER A 41 -3.081 27.203 -9.989 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.687 28.666 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.443 27.916 -8.912 1.00 0.00 H new ATOM 0 HG SER A 41 -1.117 29.976 -9.771 1.00 0.00 H new ATOM 586 N GLY A 42 -2.201 24.642 -9.520 1.00 0.00 N ATOM 587 CA GLY A 42 -1.446 23.399 -9.845 1.00 0.00 C ATOM 588 C GLY A 42 -2.203 22.174 -9.330 1.00 0.00 C ATOM 589 O GLY A 42 -2.373 21.998 -8.139 1.00 0.00 O ATOM 0 H GLY A 42 -3.195 24.512 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.304 23.322 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.454 23.439 -9.395 1.00 0.00 H new ATOM 593 N VAL A 43 -2.638 21.306 -10.209 1.00 0.00 N ATOM 594 CA VAL A 43 -3.354 20.086 -9.726 1.00 0.00 C ATOM 595 C VAL A 43 -2.414 19.331 -8.791 1.00 0.00 C ATOM 596 O VAL A 43 -1.303 19.759 -8.555 1.00 0.00 O ATOM 597 CB VAL A 43 -3.662 19.208 -10.946 1.00 0.00 C ATOM 598 CG1 VAL A 43 -4.910 18.374 -10.655 1.00 0.00 C ATOM 599 CG2 VAL A 43 -3.930 20.057 -12.181 1.00 0.00 C ATOM 0 H VAL A 43 -2.532 21.386 -11.220 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.276 20.345 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.799 18.570 -11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.137 17.746 -11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.731 17.744 -9.784 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.752 19.037 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.145 19.407 -13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.785 20.708 -11.997 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.052 20.664 -12.402 1.00 0.00 H new ATOM 609 N LEU A 44 -2.825 18.208 -8.276 1.00 0.00 N ATOM 610 CA LEU A 44 -1.917 17.437 -7.381 1.00 0.00 C ATOM 611 C LEU A 44 -2.147 15.938 -7.557 1.00 0.00 C ATOM 612 O LEU A 44 -3.009 15.356 -6.927 1.00 0.00 O ATOM 613 CB LEU A 44 -2.271 17.868 -5.954 1.00 0.00 C ATOM 614 CG LEU A 44 -1.595 16.925 -4.949 1.00 0.00 C ATOM 615 CD1 LEU A 44 -0.272 17.529 -4.482 1.00 0.00 C ATOM 616 CD2 LEU A 44 -2.511 16.722 -3.742 1.00 0.00 C ATOM 0 H LEU A 44 -3.743 17.792 -8.433 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.869 17.631 -7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.945 18.894 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.352 17.849 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.405 15.966 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.204 16.856 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.385 17.673 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.460 18.490 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.030 16.052 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.703 17.683 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.454 16.286 -4.070 1.00 0.00 H new ATOM 628 N CYS A 45 -1.374 15.298 -8.390 1.00 0.00 N ATOM 629 CA CYS A 45 -1.552 13.832 -8.566 1.00 0.00 C ATOM 630 C CYS A 45 -0.859 13.105 -7.420 1.00 0.00 C ATOM 631 O CYS A 45 0.355 13.076 -7.329 1.00 0.00 O ATOM 632 CB CYS A 45 -0.903 13.480 -9.902 1.00 0.00 C ATOM 633 SG CYS A 45 -1.942 12.265 -10.754 1.00 0.00 S ATOM 0 H CYS A 45 -0.635 15.722 -8.950 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.602 13.540 -8.561 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.790 14.375 -10.514 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.096 13.075 -9.741 1.00 0.00 H new ATOM 638 N SER A 46 -1.623 12.534 -6.534 1.00 0.00 N ATOM 639 CA SER A 46 -1.013 11.820 -5.378 1.00 0.00 C ATOM 640 C SER A 46 -1.661 10.443 -5.198 1.00 0.00 C ATOM 641 O SER A 46 -2.812 10.331 -4.825 1.00 0.00 O ATOM 642 CB SER A 46 -1.302 12.710 -4.171 1.00 0.00 C ATOM 643 OG SER A 46 -2.707 12.797 -3.976 1.00 0.00 O ATOM 0 H SER A 46 -2.643 12.530 -6.559 1.00 0.00 H new ATOM 0 HA SER A 46 0.055 11.649 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.825 12.301 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.883 13.704 -4.329 1.00 0.00 H new ATOM 0 HG SER A 46 -3.153 12.093 -4.492 1.00 0.00 H new ATOM 649 N GLY A 47 -0.928 9.394 -5.454 1.00 0.00 N ATOM 650 CA GLY A 47 -1.500 8.027 -5.292 1.00 0.00 C ATOM 651 C GLY A 47 -2.069 7.544 -6.628 1.00 0.00 C ATOM 652 O GLY A 47 -2.864 6.627 -6.678 1.00 0.00 O ATOM 0 H GLY A 47 0.042 9.424 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.730 7.339 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.284 8.038 -4.535 1.00 0.00 H new ATOM 656 N GLY A 48 -1.671 8.153 -7.711 1.00 0.00 N ATOM 657 CA GLY A 48 -2.193 7.726 -9.041 1.00 0.00 C ATOM 658 C GLY A 48 -3.600 8.291 -9.243 1.00 0.00 C ATOM 659 O GLY A 48 -4.431 7.695 -9.898 1.00 0.00 O ATOM 0 H GLY A 48 -1.007 8.927 -7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.532 8.077 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.214 6.638 -9.103 1.00 0.00 H new ATOM 663 N GLU A 49 -3.875 9.437 -8.684 1.00 0.00 N ATOM 664 CA GLU A 49 -5.231 10.038 -8.846 1.00 0.00 C ATOM 665 C GLU A 49 -5.152 11.563 -8.754 1.00 0.00 C ATOM 666 O GLU A 49 -5.081 12.128 -7.680 1.00 0.00 O ATOM 667 CB GLU A 49 -6.055 9.478 -7.687 1.00 0.00 C ATOM 668 CG GLU A 49 -6.286 7.980 -7.899 1.00 0.00 C ATOM 669 CD GLU A 49 -7.469 7.520 -7.044 1.00 0.00 C ATOM 670 OE1 GLU A 49 -7.246 7.182 -5.894 1.00 0.00 O ATOM 671 OE2 GLU A 49 -8.577 7.513 -7.556 1.00 0.00 O ATOM 0 H GLU A 49 -3.222 9.983 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.671 9.800 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.536 9.646 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.011 9.998 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.484 7.777 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.390 7.421 -7.629 1.00 0.00 H new ATOM 678 N TRP A 50 -5.170 12.234 -9.872 1.00 0.00 N ATOM 679 CA TRP A 50 -5.101 13.722 -9.850 1.00 0.00 C ATOM 680 C TRP A 50 -6.203 14.287 -8.947 1.00 0.00 C ATOM 681 O TRP A 50 -7.332 13.841 -8.982 1.00 0.00 O ATOM 682 CB TRP A 50 -5.341 14.144 -11.302 1.00 0.00 C ATOM 683 CG TRP A 50 -4.096 13.943 -12.106 1.00 0.00 C ATOM 684 CD1 TRP A 50 -3.903 12.953 -13.012 1.00 0.00 C ATOM 685 CD2 TRP A 50 -2.874 14.735 -12.102 1.00 0.00 C ATOM 686 NE1 TRP A 50 -2.643 13.090 -13.561 1.00 0.00 N ATOM 687 CE2 TRP A 50 -1.970 14.171 -13.033 1.00 0.00 C ATOM 688 CE3 TRP A 50 -2.465 15.874 -11.387 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -0.707 14.718 -13.248 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -1.193 16.428 -11.601 1.00 0.00 C ATOM 691 CH2 TRP A 50 -0.316 15.851 -12.530 1.00 0.00 C ATOM 0 H TRP A 50 -5.230 11.816 -10.801 1.00 0.00 H new ATOM 0 HA TRP A 50 -4.150 14.088 -9.464 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -6.157 13.561 -11.729 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -5.643 15.191 -11.340 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.618 12.183 -13.263 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.257 12.467 -14.271 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.133 16.326 -10.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.035 14.269 -13.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.888 17.304 -11.047 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.661 16.282 -12.691 1.00 0.00 H new ATOM 702 N SER A 51 -5.889 15.266 -8.138 1.00 0.00 N ATOM 703 CA SER A 51 -6.932 15.847 -7.242 1.00 0.00 C ATOM 704 C SER A 51 -6.708 17.351 -7.038 1.00 0.00 C ATOM 705 O SER A 51 -5.608 17.853 -7.162 1.00 0.00 O ATOM 706 CB SER A 51 -6.777 15.104 -5.916 1.00 0.00 C ATOM 707 OG SER A 51 -6.692 13.708 -6.165 1.00 0.00 O ATOM 0 H SER A 51 -4.963 15.685 -8.059 1.00 0.00 H new ATOM 0 HA SER A 51 -7.931 15.736 -7.665 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.882 15.447 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.625 15.318 -5.265 1.00 0.00 H new ATOM 0 HG SER A 51 -6.591 13.230 -5.316 1.00 0.00 H new ATOM 713 N ASP A 52 -7.754 18.064 -6.713 1.00 0.00 N ATOM 714 CA ASP A 52 -7.639 19.536 -6.479 1.00 0.00 C ATOM 715 C ASP A 52 -7.342 20.282 -7.782 1.00 0.00 C ATOM 716 O ASP A 52 -6.297 20.884 -7.935 1.00 0.00 O ATOM 717 CB ASP A 52 -6.487 19.696 -5.487 1.00 0.00 C ATOM 718 CG ASP A 52 -6.846 20.759 -4.448 1.00 0.00 C ATOM 719 OD1 ASP A 52 -7.707 21.574 -4.738 1.00 0.00 O ATOM 720 OD2 ASP A 52 -6.255 20.741 -3.381 1.00 0.00 O ATOM 0 H ASP A 52 -8.694 17.686 -6.598 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.569 19.955 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.284 18.745 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.577 19.982 -6.015 1.00 0.00 H new ATOM 725 N PRO A 53 -8.291 20.220 -8.669 1.00 0.00 N ATOM 726 CA PRO A 53 -8.182 20.892 -9.978 1.00 0.00 C ATOM 727 C PRO A 53 -8.791 22.298 -9.915 1.00 0.00 C ATOM 728 O PRO A 53 -9.890 22.476 -9.427 1.00 0.00 O ATOM 729 CB PRO A 53 -9.021 20.001 -10.882 1.00 0.00 C ATOM 730 CG PRO A 53 -10.008 19.312 -9.974 1.00 0.00 C ATOM 731 CD PRO A 53 -9.552 19.505 -8.542 1.00 0.00 C ATOM 0 HA PRO A 53 -7.153 21.017 -10.314 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.534 20.588 -11.644 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.397 19.276 -11.405 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.006 19.727 -10.114 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.068 18.250 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.279 20.077 -7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.420 18.550 -8.033 1.00 0.00 H new ATOM 739 N PRO A 54 -8.063 23.248 -10.431 1.00 0.00 N ATOM 740 CA PRO A 54 -8.541 24.648 -10.452 1.00 0.00 C ATOM 741 C PRO A 54 -9.469 24.854 -11.657 1.00 0.00 C ATOM 742 O PRO A 54 -9.631 23.974 -12.478 1.00 0.00 O ATOM 743 CB PRO A 54 -7.256 25.453 -10.602 1.00 0.00 C ATOM 744 CG PRO A 54 -6.279 24.529 -11.271 1.00 0.00 C ATOM 745 CD PRO A 54 -6.734 23.109 -11.029 1.00 0.00 C ATOM 0 HA PRO A 54 -9.112 24.936 -9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.422 26.349 -11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.884 25.782 -9.632 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.230 24.736 -12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.276 24.681 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.774 22.541 -11.958 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.052 22.582 -10.362 1.00 0.00 H new ATOM 753 N THR A 55 -10.086 26.000 -11.772 1.00 0.00 N ATOM 754 CA THR A 55 -11.005 26.228 -12.932 1.00 0.00 C ATOM 755 C THR A 55 -10.469 27.314 -13.861 1.00 0.00 C ATOM 756 O THR A 55 -10.067 28.376 -13.429 1.00 0.00 O ATOM 757 CB THR A 55 -12.327 26.699 -12.326 1.00 0.00 C ATOM 758 OG1 THR A 55 -12.104 27.875 -11.577 1.00 0.00 O ATOM 759 CG2 THR A 55 -12.898 25.616 -11.416 1.00 0.00 C ATOM 0 H THR A 55 -9.997 26.782 -11.123 1.00 0.00 H new ATOM 0 HA THR A 55 -11.110 25.318 -13.522 1.00 0.00 H new ATOM 0 HB THR A 55 -13.038 26.902 -13.127 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.949 28.361 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.840 25.960 -10.988 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.072 24.709 -11.995 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.191 25.405 -10.614 1.00 0.00 H new ATOM 767 N CYS A 56 -10.506 27.071 -15.139 1.00 0.00 N ATOM 768 CA CYS A 56 -10.047 28.105 -16.102 1.00 0.00 C ATOM 769 C CYS A 56 -11.272 28.837 -16.623 1.00 0.00 C ATOM 770 O CYS A 56 -11.733 28.611 -17.724 1.00 0.00 O ATOM 771 CB CYS A 56 -9.336 27.344 -17.222 1.00 0.00 C ATOM 772 SG CYS A 56 -7.622 27.021 -16.737 1.00 0.00 S ATOM 0 H CYS A 56 -10.834 26.201 -15.558 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.375 28.841 -15.661 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.852 26.405 -17.423 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.361 27.925 -18.144 1.00 0.00 H new ATOM 777 N GLN A 57 -11.817 29.693 -15.810 1.00 0.00 N ATOM 778 CA GLN A 57 -13.040 30.435 -16.209 1.00 0.00 C ATOM 779 C GLN A 57 -12.741 31.923 -16.348 1.00 0.00 C ATOM 780 O GLN A 57 -11.683 32.390 -15.987 1.00 0.00 O ATOM 781 CB GLN A 57 -14.067 30.208 -15.086 1.00 0.00 C ATOM 782 CG GLN A 57 -13.526 29.277 -13.989 1.00 0.00 C ATOM 783 CD GLN A 57 -14.696 28.704 -13.186 1.00 0.00 C ATOM 784 OE1 GLN A 57 -14.672 28.705 -11.971 1.00 0.00 O ATOM 785 NE2 GLN A 57 -15.727 28.213 -13.818 1.00 0.00 N ATOM 0 H GLN A 57 -11.464 29.912 -14.878 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.414 30.086 -17.172 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -14.340 31.167 -14.645 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.977 29.781 -15.508 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.947 28.469 -14.436 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.853 29.826 -13.330 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.747 28.212 -14.838 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.513 27.830 -13.292 1.00 0.00 H new ATOM 794 N ILE A 58 -13.675 32.672 -16.859 1.00 0.00 N ATOM 795 CA ILE A 58 -13.447 34.134 -17.012 1.00 0.00 C ATOM 796 C ILE A 58 -13.866 34.840 -15.725 1.00 0.00 C ATOM 797 O ILE A 58 -14.973 34.684 -15.248 1.00 0.00 O ATOM 798 CB ILE A 58 -14.302 34.606 -18.200 1.00 0.00 C ATOM 799 CG1 ILE A 58 -14.679 33.438 -19.121 1.00 0.00 C ATOM 800 CG2 ILE A 58 -13.493 35.613 -19.006 1.00 0.00 C ATOM 801 CD1 ILE A 58 -16.064 32.918 -18.739 1.00 0.00 C ATOM 0 H ILE A 58 -14.584 32.337 -17.177 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.397 34.362 -17.197 1.00 0.00 H new ATOM 0 HB ILE A 58 -15.219 35.049 -17.811 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -14.675 33.764 -20.161 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.942 32.640 -19.035 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.084 35.959 -19.854 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.234 36.462 -18.373 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -12.581 35.140 -19.369 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -16.334 32.088 -19.392 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -16.052 32.576 -17.704 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -16.796 33.718 -18.848 1.00 0.00 H new ATOM 813 N VAL A 59 -12.978 35.593 -15.146 1.00 0.00 N ATOM 814 CA VAL A 59 -13.303 36.288 -13.869 1.00 0.00 C ATOM 815 C VAL A 59 -13.414 37.785 -14.071 1.00 0.00 C ATOM 816 O VAL A 59 -12.789 38.558 -13.380 1.00 0.00 O ATOM 817 CB VAL A 59 -12.117 36.000 -12.971 1.00 0.00 C ATOM 818 CG1 VAL A 59 -11.979 34.491 -12.759 1.00 0.00 C ATOM 819 CG2 VAL A 59 -10.865 36.553 -13.646 1.00 0.00 C ATOM 0 H VAL A 59 -12.037 35.759 -15.502 1.00 0.00 H new ATOM 0 HA VAL A 59 -14.255 35.948 -13.461 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.256 36.471 -11.998 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.124 34.291 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.885 34.105 -12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.829 34.001 -13.721 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.996 36.357 -13.017 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.729 36.069 -14.613 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.974 37.628 -13.790 1.00 0.00 H new ATOM 829 N LYS A 60 -14.201 38.214 -14.990 1.00 0.00 N ATOM 830 CA LYS A 60 -14.316 39.682 -15.189 1.00 0.00 C ATOM 831 C LYS A 60 -15.238 40.276 -14.115 1.00 0.00 C ATOM 832 O LYS A 60 -16.436 40.079 -14.133 1.00 0.00 O ATOM 833 CB LYS A 60 -14.912 39.867 -16.585 1.00 0.00 C ATOM 834 CG LYS A 60 -14.137 39.015 -17.592 1.00 0.00 C ATOM 835 CD LYS A 60 -12.683 39.487 -17.654 1.00 0.00 C ATOM 836 CE LYS A 60 -12.605 40.816 -18.409 1.00 0.00 C ATOM 837 NZ LYS A 60 -11.234 40.848 -18.990 1.00 0.00 N ATOM 0 H LYS A 60 -14.766 37.633 -15.609 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.354 40.188 -15.105 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.963 39.579 -16.583 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.869 40.917 -16.873 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.177 37.965 -17.302 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.597 39.091 -18.577 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.286 39.606 -16.646 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.068 38.738 -18.152 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.365 40.873 -19.188 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.770 41.661 -17.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.104 41.731 -19.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.531 40.799 -18.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.108 40.036 -19.628 1.00 0.00 H new ATOM 851 N CYS A 61 -14.682 40.988 -13.170 1.00 0.00 N ATOM 852 CA CYS A 61 -15.517 41.580 -12.081 1.00 0.00 C ATOM 853 C CYS A 61 -16.318 42.781 -12.575 1.00 0.00 C ATOM 854 O CYS A 61 -16.022 43.358 -13.602 1.00 0.00 O ATOM 855 CB CYS A 61 -14.521 42.021 -11.015 1.00 0.00 C ATOM 856 SG CYS A 61 -13.638 40.577 -10.385 1.00 0.00 S ATOM 0 H CYS A 61 -13.684 41.186 -13.105 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.245 40.860 -11.707 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.815 42.738 -11.435 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -15.042 42.526 -10.202 1.00 0.00 H new ATOM 861 N PRO A 62 -17.309 43.116 -11.796 1.00 0.00 N ATOM 862 CA PRO A 62 -18.184 44.269 -12.114 1.00 0.00 C ATOM 863 C PRO A 62 -17.435 45.587 -11.911 1.00 0.00 C ATOM 864 O PRO A 62 -16.986 46.217 -12.847 1.00 0.00 O ATOM 865 CB PRO A 62 -19.327 44.134 -11.105 1.00 0.00 C ATOM 866 CG PRO A 62 -18.764 43.340 -9.969 1.00 0.00 C ATOM 867 CD PRO A 62 -17.701 42.446 -10.549 1.00 0.00 C ATOM 0 HA PRO A 62 -18.527 44.274 -13.149 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -19.671 45.112 -10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -20.185 43.630 -11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -18.343 43.998 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -19.543 42.751 -9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.855 42.341 -9.870 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -18.084 41.443 -10.739 1.00 0.00 H new ATOM 875 N HIS A 63 -17.310 46.001 -10.688 1.00 0.00 N ATOM 876 CA HIS A 63 -16.607 47.271 -10.373 1.00 0.00 C ATOM 877 C HIS A 63 -16.670 47.485 -8.868 1.00 0.00 C ATOM 878 O HIS A 63 -17.720 47.358 -8.271 1.00 0.00 O ATOM 879 CB HIS A 63 -17.393 48.351 -11.098 1.00 0.00 C ATOM 880 CG HIS A 63 -16.497 49.059 -12.076 1.00 0.00 C ATOM 881 ND1 HIS A 63 -16.449 50.442 -12.165 1.00 0.00 N ATOM 882 CD2 HIS A 63 -15.606 48.592 -13.011 1.00 0.00 C ATOM 883 CE1 HIS A 63 -15.558 50.756 -13.123 1.00 0.00 C ATOM 884 NE2 HIS A 63 -15.014 49.666 -13.671 1.00 0.00 N ATOM 0 H HIS A 63 -17.673 45.503 -9.875 1.00 0.00 H new ATOM 0 HA HIS A 63 -15.560 47.275 -10.677 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -18.241 47.908 -11.621 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -17.798 49.064 -10.380 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -16.991 51.101 -11.606 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -15.396 47.550 -13.205 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.312 51.767 -13.414 1.00 0.00 H new ATOM 892 N PRO A 64 -15.547 47.776 -8.293 1.00 0.00 N ATOM 893 CA PRO A 64 -15.498 47.969 -6.836 1.00 0.00 C ATOM 894 C PRO A 64 -16.069 49.337 -6.464 1.00 0.00 C ATOM 895 O PRO A 64 -15.379 50.197 -5.955 1.00 0.00 O ATOM 896 CB PRO A 64 -14.017 47.874 -6.514 1.00 0.00 C ATOM 897 CG PRO A 64 -13.311 48.265 -7.776 1.00 0.00 C ATOM 898 CD PRO A 64 -14.237 47.958 -8.927 1.00 0.00 C ATOM 0 HA PRO A 64 -16.088 47.241 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.750 48.538 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.745 46.864 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -13.057 49.325 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.376 47.714 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.255 48.771 -9.652 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.925 47.061 -9.462 1.00 0.00 H new ATOM 906 N THR A 65 -17.334 49.530 -6.704 1.00 0.00 N ATOM 907 CA THR A 65 -17.979 50.830 -6.352 1.00 0.00 C ATOM 908 C THR A 65 -18.638 50.676 -4.992 1.00 0.00 C ATOM 909 O THR A 65 -19.187 49.637 -4.683 1.00 0.00 O ATOM 910 CB THR A 65 -19.051 51.112 -7.423 1.00 0.00 C ATOM 911 OG1 THR A 65 -20.338 50.841 -6.886 1.00 0.00 O ATOM 912 CG2 THR A 65 -18.832 50.238 -8.655 1.00 0.00 C ATOM 0 H THR A 65 -17.954 48.842 -7.131 1.00 0.00 H new ATOM 0 HA THR A 65 -17.258 51.646 -6.315 1.00 0.00 H new ATOM 0 HB THR A 65 -18.977 52.159 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 65 -21.021 51.021 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 65 -19.601 50.455 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.850 50.446 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 65 -18.889 49.187 -8.371 1.00 0.00 H new ATOM 920 N ILE A 66 -18.585 51.668 -4.160 1.00 0.00 N ATOM 921 CA ILE A 66 -19.211 51.494 -2.828 1.00 0.00 C ATOM 922 C ILE A 66 -20.030 52.733 -2.436 1.00 0.00 C ATOM 923 O ILE A 66 -19.785 53.830 -2.896 1.00 0.00 O ATOM 924 CB ILE A 66 -18.037 51.222 -1.854 1.00 0.00 C ATOM 925 CG1 ILE A 66 -18.199 52.029 -0.562 1.00 0.00 C ATOM 926 CG2 ILE A 66 -16.698 51.595 -2.503 1.00 0.00 C ATOM 927 CD1 ILE A 66 -16.973 51.811 0.325 1.00 0.00 C ATOM 0 H ILE A 66 -18.147 52.572 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 66 -19.924 50.669 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.048 50.158 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.312 53.088 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.102 51.719 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.887 51.397 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.553 51.000 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.702 52.654 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -17.084 52.384 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -16.881 50.752 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -16.079 52.142 -0.203 1.00 0.00 H new ATOM 939 N SER A 67 -21.007 52.547 -1.587 1.00 0.00 N ATOM 940 CA SER A 67 -21.864 53.688 -1.150 1.00 0.00 C ATOM 941 C SER A 67 -21.012 54.917 -0.838 1.00 0.00 C ATOM 942 O SER A 67 -20.430 55.025 0.223 1.00 0.00 O ATOM 943 CB SER A 67 -22.565 53.195 0.115 1.00 0.00 C ATOM 944 OG SER A 67 -22.475 51.778 0.183 1.00 0.00 O ATOM 0 H SER A 67 -21.249 51.646 -1.175 1.00 0.00 H new ATOM 0 HA SER A 67 -22.570 53.985 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 67 -22.106 53.642 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 67 -23.610 53.504 0.109 1.00 0.00 H new ATOM 0 HG SER A 67 -23.361 51.386 0.033 1.00 0.00 H new ATOM 950 N ASN A 68 -20.931 55.846 -1.751 1.00 0.00 N ATOM 951 CA ASN A 68 -20.113 57.071 -1.506 1.00 0.00 C ATOM 952 C ASN A 68 -18.631 56.707 -1.456 1.00 0.00 C ATOM 953 O ASN A 68 -17.820 57.247 -2.182 1.00 0.00 O ATOM 954 CB ASN A 68 -20.579 57.604 -0.149 1.00 0.00 C ATOM 955 CG ASN A 68 -21.186 58.995 -0.330 1.00 0.00 C ATOM 956 OD1 ASN A 68 -20.473 59.970 -0.465 1.00 0.00 O ATOM 957 ND2 ASN A 68 -22.483 59.131 -0.340 1.00 0.00 N ATOM 0 H ASN A 68 -21.396 55.811 -2.658 1.00 0.00 H new ATOM 0 HA ASN A 68 -20.237 57.813 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -21.315 56.928 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -19.739 57.649 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -22.898 60.055 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -23.082 58.313 -0.227 1.00 0.00 H new ATOM 964 N GLY A 69 -18.278 55.794 -0.602 1.00 0.00 N ATOM 965 CA GLY A 69 -16.857 55.379 -0.488 1.00 0.00 C ATOM 966 C GLY A 69 -16.312 54.992 -1.866 1.00 0.00 C ATOM 967 O GLY A 69 -16.935 55.211 -2.885 1.00 0.00 O ATOM 0 H GLY A 69 -18.919 55.312 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.265 56.192 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.770 54.535 0.197 1.00 0.00 H new ATOM 971 N TYR A 70 -15.150 54.406 -1.882 1.00 0.00 N ATOM 972 CA TYR A 70 -14.509 53.969 -3.156 1.00 0.00 C ATOM 973 C TYR A 70 -13.132 53.440 -2.850 1.00 0.00 C ATOM 974 O TYR A 70 -12.787 53.202 -1.720 1.00 0.00 O ATOM 975 CB TYR A 70 -14.385 55.207 -4.047 1.00 0.00 C ATOM 976 CG TYR A 70 -13.358 56.159 -3.472 1.00 0.00 C ATOM 977 CD1 TYR A 70 -13.639 56.865 -2.298 1.00 0.00 C ATOM 978 CD2 TYR A 70 -12.125 56.339 -4.117 1.00 0.00 C ATOM 979 CE1 TYR A 70 -12.693 57.749 -1.765 1.00 0.00 C ATOM 980 CE2 TYR A 70 -11.179 57.225 -3.584 1.00 0.00 C ATOM 981 CZ TYR A 70 -11.463 57.929 -2.408 1.00 0.00 C ATOM 982 OH TYR A 70 -10.530 58.801 -1.883 1.00 0.00 O ATOM 0 H TYR A 70 -14.602 54.206 -1.045 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.094 53.192 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -14.095 54.912 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.351 55.706 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.588 56.728 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.905 55.795 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.912 58.292 -0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.230 57.365 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.732 58.807 -2.451 1.00 0.00 H new ATOM 992 N LEU A 71 -12.341 53.289 -3.847 1.00 0.00 N ATOM 993 CA LEU A 71 -10.951 52.807 -3.609 1.00 0.00 C ATOM 994 C LEU A 71 -9.941 53.784 -4.215 1.00 0.00 C ATOM 995 O LEU A 71 -10.240 54.522 -5.131 1.00 0.00 O ATOM 996 CB LEU A 71 -10.838 51.385 -4.204 1.00 0.00 C ATOM 997 CG LEU A 71 -11.358 51.279 -5.647 1.00 0.00 C ATOM 998 CD1 LEU A 71 -12.860 51.031 -5.630 1.00 0.00 C ATOM 999 CD2 LEU A 71 -11.047 52.541 -6.457 1.00 0.00 C ATOM 0 H LEU A 71 -12.581 53.474 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.725 52.760 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.794 51.071 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.395 50.691 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.849 50.444 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.228 50.956 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.069 50.102 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.360 51.857 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.431 52.426 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.520 53.402 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.968 52.694 -6.492 1.00 0.00 H new ATOM 1011 N SER A 72 -8.755 53.822 -3.682 1.00 0.00 N ATOM 1012 CA SER A 72 -7.741 54.774 -4.208 1.00 0.00 C ATOM 1013 C SER A 72 -6.368 54.099 -4.276 1.00 0.00 C ATOM 1014 O SER A 72 -5.342 54.750 -4.229 1.00 0.00 O ATOM 1015 CB SER A 72 -7.724 55.920 -3.199 1.00 0.00 C ATOM 1016 OG SER A 72 -7.171 57.079 -3.809 1.00 0.00 O ATOM 0 H SER A 72 -8.444 53.237 -2.907 1.00 0.00 H new ATOM 0 HA SER A 72 -7.975 55.117 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.736 56.127 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.136 55.640 -2.325 1.00 0.00 H new ATOM 0 HG SER A 72 -6.330 56.845 -4.255 1.00 0.00 H new ATOM 1022 N SER A 73 -6.341 52.797 -4.377 1.00 0.00 N ATOM 1023 CA SER A 73 -5.034 52.080 -4.437 1.00 0.00 C ATOM 1024 C SER A 73 -4.766 51.568 -5.853 1.00 0.00 C ATOM 1025 O SER A 73 -3.935 52.092 -6.567 1.00 0.00 O ATOM 1026 CB SER A 73 -5.181 50.909 -3.466 1.00 0.00 C ATOM 1027 OG SER A 73 -3.965 50.173 -3.430 1.00 0.00 O ATOM 0 H SER A 73 -7.166 52.199 -4.421 1.00 0.00 H new ATOM 0 HA SER A 73 -4.199 52.730 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.427 51.276 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.001 50.263 -3.779 1.00 0.00 H new ATOM 0 HG SER A 73 -4.055 49.422 -2.807 1.00 0.00 H new ATOM 1033 N GLY A 74 -5.459 50.542 -6.261 1.00 0.00 N ATOM 1034 CA GLY A 74 -5.236 49.992 -7.627 1.00 0.00 C ATOM 1035 C GLY A 74 -6.576 49.687 -8.295 1.00 0.00 C ATOM 1036 O GLY A 74 -7.026 48.559 -8.323 1.00 0.00 O ATOM 0 H GLY A 74 -6.169 50.061 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.675 50.707 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.635 49.085 -7.569 1.00 0.00 H new ATOM 1040 N PHE A 75 -7.211 50.684 -8.840 1.00 0.00 N ATOM 1041 CA PHE A 75 -8.519 50.455 -9.520 1.00 0.00 C ATOM 1042 C PHE A 75 -8.313 50.407 -11.037 1.00 0.00 C ATOM 1043 O PHE A 75 -7.290 50.819 -11.546 1.00 0.00 O ATOM 1044 CB PHE A 75 -9.387 51.651 -9.122 1.00 0.00 C ATOM 1045 CG PHE A 75 -10.543 51.790 -10.088 1.00 0.00 C ATOM 1046 CD1 PHE A 75 -10.328 52.327 -11.363 1.00 0.00 C ATOM 1047 CD2 PHE A 75 -11.827 51.379 -9.710 1.00 0.00 C ATOM 1048 CE1 PHE A 75 -11.395 52.453 -12.260 1.00 0.00 C ATOM 1049 CE2 PHE A 75 -12.895 51.504 -10.607 1.00 0.00 C ATOM 1050 CZ PHE A 75 -12.679 52.042 -11.883 1.00 0.00 C ATOM 0 H PHE A 75 -6.883 51.650 -8.845 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.983 49.511 -9.233 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.763 51.517 -8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.789 52.562 -9.123 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.338 52.644 -11.655 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.994 50.965 -8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.228 52.867 -13.243 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -13.885 51.186 -10.316 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.503 52.139 -12.575 1.00 0.00 H new ATOM 1060 N LYS A 76 -9.274 49.908 -11.764 1.00 0.00 N ATOM 1061 CA LYS A 76 -9.119 49.837 -13.244 1.00 0.00 C ATOM 1062 C LYS A 76 -10.485 49.688 -13.921 1.00 0.00 C ATOM 1063 O LYS A 76 -11.483 49.427 -13.282 1.00 0.00 O ATOM 1064 CB LYS A 76 -8.263 48.595 -13.490 1.00 0.00 C ATOM 1065 CG LYS A 76 -7.245 48.888 -14.592 1.00 0.00 C ATOM 1066 CD LYS A 76 -7.436 47.894 -15.738 1.00 0.00 C ATOM 1067 CE LYS A 76 -6.078 47.585 -16.377 1.00 0.00 C ATOM 1068 NZ LYS A 76 -6.119 46.133 -16.722 1.00 0.00 N ATOM 0 H LYS A 76 -10.156 49.548 -11.400 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.663 50.739 -13.652 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.749 48.307 -12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.896 47.755 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.370 49.908 -14.956 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.232 48.813 -14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.892 46.977 -15.366 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.115 48.308 -16.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.915 48.195 -17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.262 47.801 -15.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.219 45.856 -17.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.267 45.575 -15.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.900 45.956 -17.386 1.00 0.00 H new ATOM 1082 N ARG A 77 -10.535 49.853 -15.212 1.00 0.00 N ATOM 1083 CA ARG A 77 -11.835 49.721 -15.929 1.00 0.00 C ATOM 1084 C ARG A 77 -12.269 48.253 -15.974 1.00 0.00 C ATOM 1085 O ARG A 77 -13.443 47.943 -16.005 1.00 0.00 O ATOM 1086 CB ARG A 77 -11.560 50.241 -17.339 1.00 0.00 C ATOM 1087 CG ARG A 77 -12.356 51.525 -17.572 1.00 0.00 C ATOM 1088 CD ARG A 77 -12.094 52.035 -18.991 1.00 0.00 C ATOM 1089 NE ARG A 77 -12.902 51.149 -19.873 1.00 0.00 N ATOM 1090 CZ ARG A 77 -14.177 51.375 -20.034 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -14.574 52.339 -20.820 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -15.053 50.635 -19.411 1.00 0.00 N ATOM 0 H ARG A 77 -9.733 50.073 -15.803 1.00 0.00 H new ATOM 0 HA ARG A 77 -12.636 50.273 -15.438 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.495 50.433 -17.466 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.839 49.489 -18.077 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.420 51.336 -17.432 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -12.068 52.282 -16.843 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.394 53.078 -19.097 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.034 51.981 -19.241 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.459 50.365 -20.352 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.888 52.915 -21.308 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.570 52.516 -20.946 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.741 49.881 -18.799 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.050 50.811 -19.536 1.00 0.00 H new ATOM 1106 N SER A 78 -11.329 47.349 -15.976 1.00 0.00 N ATOM 1107 CA SER A 78 -11.685 45.900 -16.018 1.00 0.00 C ATOM 1108 C SER A 78 -10.778 45.100 -15.078 1.00 0.00 C ATOM 1109 O SER A 78 -9.578 45.286 -15.048 1.00 0.00 O ATOM 1110 CB SER A 78 -11.460 45.474 -17.468 1.00 0.00 C ATOM 1111 OG SER A 78 -10.112 45.052 -17.630 1.00 0.00 O ATOM 0 H SER A 78 -10.329 47.549 -15.950 1.00 0.00 H new ATOM 0 HA SER A 78 -12.711 45.722 -15.696 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.141 44.664 -17.731 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.677 46.304 -18.141 1.00 0.00 H new ATOM 0 HG SER A 78 -9.586 45.333 -16.853 1.00 0.00 H new ATOM 1117 N TYR A 79 -11.346 44.209 -14.314 1.00 0.00 N ATOM 1118 CA TYR A 79 -10.525 43.391 -13.377 1.00 0.00 C ATOM 1119 C TYR A 79 -10.621 41.909 -13.760 1.00 0.00 C ATOM 1120 O TYR A 79 -11.152 41.564 -14.797 1.00 0.00 O ATOM 1121 CB TYR A 79 -11.149 43.622 -12.002 1.00 0.00 C ATOM 1122 CG TYR A 79 -11.343 45.099 -11.756 1.00 0.00 C ATOM 1123 CD1 TYR A 79 -10.258 45.894 -11.371 1.00 0.00 C ATOM 1124 CD2 TYR A 79 -12.615 45.672 -11.898 1.00 0.00 C ATOM 1125 CE1 TYR A 79 -10.440 47.259 -11.129 1.00 0.00 C ATOM 1126 CE2 TYR A 79 -12.797 47.038 -11.653 1.00 0.00 C ATOM 1127 CZ TYR A 79 -11.710 47.832 -11.269 1.00 0.00 C ATOM 1128 OH TYR A 79 -11.892 49.177 -11.025 1.00 0.00 O ATOM 0 H TYR A 79 -12.347 44.011 -14.298 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.470 43.666 -13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.108 43.107 -11.939 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -10.508 43.199 -11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.278 45.453 -11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.453 45.060 -12.196 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.601 47.872 -10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.777 47.480 -11.760 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.253 49.609 -11.827 1.00 0.00 H new ATOM 1138 N SER A 80 -10.121 41.026 -12.932 1.00 0.00 N ATOM 1139 CA SER A 80 -10.205 39.573 -13.268 1.00 0.00 C ATOM 1140 C SER A 80 -10.390 38.715 -11.996 1.00 0.00 C ATOM 1141 O SER A 80 -11.485 38.561 -11.494 1.00 0.00 O ATOM 1142 CB SER A 80 -8.877 39.246 -13.949 1.00 0.00 C ATOM 1143 OG SER A 80 -7.813 39.471 -13.033 1.00 0.00 O ATOM 0 H SER A 80 -9.663 41.246 -12.047 1.00 0.00 H new ATOM 0 HA SER A 80 -11.061 39.357 -13.908 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.872 38.208 -14.283 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.747 39.867 -14.835 1.00 0.00 H new ATOM 0 HG SER A 80 -7.145 38.760 -13.127 1.00 0.00 H new ATOM 1149 N TYR A 81 -9.336 38.125 -11.487 1.00 0.00 N ATOM 1150 CA TYR A 81 -9.474 37.265 -10.271 1.00 0.00 C ATOM 1151 C TYR A 81 -8.588 37.805 -9.128 1.00 0.00 C ATOM 1152 O TYR A 81 -8.242 37.092 -8.207 1.00 0.00 O ATOM 1153 CB TYR A 81 -9.050 35.859 -10.751 1.00 0.00 C ATOM 1154 CG TYR A 81 -7.816 35.364 -10.036 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -6.568 35.916 -10.336 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -7.925 34.347 -9.082 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -5.423 35.450 -9.682 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -6.781 33.880 -8.426 1.00 0.00 C ATOM 1159 CZ TYR A 81 -5.529 34.431 -8.726 1.00 0.00 C ATOM 1160 OH TYR A 81 -4.399 33.971 -8.081 1.00 0.00 O ATOM 0 H TYR A 81 -8.390 38.201 -11.860 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.483 37.249 -9.860 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.869 35.158 -10.588 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.861 35.884 -11.824 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.488 36.702 -11.072 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.891 33.923 -8.852 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.458 35.875 -9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.863 33.095 -7.689 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.648 33.265 -7.449 1.00 0.00 H new ATOM 1170 N ASN A 82 -8.232 39.066 -9.175 1.00 0.00 N ATOM 1171 CA ASN A 82 -7.383 39.647 -8.088 1.00 0.00 C ATOM 1172 C ASN A 82 -7.513 41.176 -8.060 1.00 0.00 C ATOM 1173 O ASN A 82 -8.576 41.704 -7.803 1.00 0.00 O ATOM 1174 CB ASN A 82 -5.955 39.213 -8.427 1.00 0.00 C ATOM 1175 CG ASN A 82 -5.669 39.494 -9.903 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -6.436 40.163 -10.567 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -4.587 39.008 -10.449 1.00 0.00 N ATOM 0 H ASN A 82 -8.492 39.716 -9.917 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.682 39.302 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.243 39.749 -7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.828 38.151 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.386 39.190 -11.432 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.943 38.446 -9.892 1.00 0.00 H new ATOM 1184 N ASP A 83 -6.448 41.897 -8.303 1.00 0.00 N ATOM 1185 CA ASP A 83 -6.544 43.384 -8.263 1.00 0.00 C ATOM 1186 C ASP A 83 -7.176 43.816 -6.939 1.00 0.00 C ATOM 1187 O ASP A 83 -8.323 44.214 -6.885 1.00 0.00 O ATOM 1188 CB ASP A 83 -7.444 43.758 -9.440 1.00 0.00 C ATOM 1189 CG ASP A 83 -6.915 45.031 -10.104 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -6.947 46.068 -9.462 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -6.488 44.947 -11.244 1.00 0.00 O ATOM 0 H ASP A 83 -5.525 41.523 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.572 43.872 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.472 42.943 -10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.466 43.913 -9.095 1.00 0.00 H new ATOM 1196 N ASN A 84 -6.438 43.720 -5.867 1.00 0.00 N ATOM 1197 CA ASN A 84 -6.995 44.101 -4.539 1.00 0.00 C ATOM 1198 C ASN A 84 -7.210 45.619 -4.450 1.00 0.00 C ATOM 1199 O ASN A 84 -6.271 46.376 -4.297 1.00 0.00 O ATOM 1200 CB ASN A 84 -5.935 43.657 -3.529 1.00 0.00 C ATOM 1201 CG ASN A 84 -6.338 44.116 -2.126 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -7.427 43.831 -1.671 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -5.498 44.820 -1.418 1.00 0.00 N ATOM 0 H ASN A 84 -5.472 43.394 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.965 43.638 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.829 42.572 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.965 44.078 -3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.756 45.131 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.583 45.059 -1.801 1.00 0.00 H new ATOM 1210 N VAL A 85 -8.435 46.072 -4.534 1.00 0.00 N ATOM 1211 CA VAL A 85 -8.688 47.544 -4.442 1.00 0.00 C ATOM 1212 C VAL A 85 -8.956 47.958 -2.996 1.00 0.00 C ATOM 1213 O VAL A 85 -9.917 47.536 -2.384 1.00 0.00 O ATOM 1214 CB VAL A 85 -9.921 47.829 -5.298 1.00 0.00 C ATOM 1215 CG1 VAL A 85 -9.637 47.445 -6.751 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -11.122 47.032 -4.778 1.00 0.00 C ATOM 0 H VAL A 85 -9.265 45.493 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.820 48.105 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.153 48.893 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.518 47.649 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.795 48.028 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.396 46.384 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.994 47.244 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.897 45.966 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.330 47.318 -3.747 1.00 0.00 H new ATOM 1226 N ASP A 86 -8.127 48.805 -2.457 1.00 0.00 N ATOM 1227 CA ASP A 86 -8.350 49.278 -1.061 1.00 0.00 C ATOM 1228 C ASP A 86 -9.453 50.331 -1.091 1.00 0.00 C ATOM 1229 O ASP A 86 -9.496 51.157 -1.980 1.00 0.00 O ATOM 1230 CB ASP A 86 -7.018 49.890 -0.623 1.00 0.00 C ATOM 1231 CG ASP A 86 -6.629 49.334 0.748 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -6.848 48.154 0.970 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -6.120 50.097 1.552 1.00 0.00 O ATOM 0 H ASP A 86 -7.305 49.191 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.654 48.487 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.242 49.661 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.102 50.976 -0.577 1.00 0.00 H new ATOM 1238 N PHE A 87 -10.366 50.306 -0.164 1.00 0.00 N ATOM 1239 CA PHE A 87 -11.457 51.311 -0.225 1.00 0.00 C ATOM 1240 C PHE A 87 -11.182 52.509 0.685 1.00 0.00 C ATOM 1241 O PHE A 87 -10.447 52.431 1.650 1.00 0.00 O ATOM 1242 CB PHE A 87 -12.725 50.571 0.195 1.00 0.00 C ATOM 1243 CG PHE A 87 -13.217 49.799 -0.996 1.00 0.00 C ATOM 1244 CD1 PHE A 87 -13.889 50.468 -2.021 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -12.972 48.427 -1.096 1.00 0.00 C ATOM 1246 CE1 PHE A 87 -14.317 49.767 -3.149 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -13.407 47.723 -2.222 1.00 0.00 C ATOM 1248 CZ PHE A 87 -14.077 48.395 -3.250 1.00 0.00 C ATOM 0 H PHE A 87 -10.405 49.650 0.616 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.550 51.727 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.518 49.899 1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.484 51.275 0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.078 51.528 -1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -12.448 47.912 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -14.834 50.285 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -13.226 46.661 -2.299 1.00 0.00 H new ATOM 0 HZ PHE A 87 -14.409 47.852 -4.123 1.00 0.00 H new ATOM 1258 N LYS A 88 -11.775 53.622 0.358 1.00 0.00 N ATOM 1259 CA LYS A 88 -11.583 54.862 1.150 1.00 0.00 C ATOM 1260 C LYS A 88 -12.932 55.557 1.350 1.00 0.00 C ATOM 1261 O LYS A 88 -13.618 55.878 0.400 1.00 0.00 O ATOM 1262 CB LYS A 88 -10.670 55.722 0.280 1.00 0.00 C ATOM 1263 CG LYS A 88 -9.239 55.659 0.817 1.00 0.00 C ATOM 1264 CD LYS A 88 -8.861 57.010 1.428 1.00 0.00 C ATOM 1265 CE LYS A 88 -7.593 56.854 2.270 1.00 0.00 C ATOM 1266 NZ LYS A 88 -7.006 58.221 2.332 1.00 0.00 N ATOM 0 H LYS A 88 -12.398 53.724 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.164 54.677 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.698 55.371 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.022 56.754 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.156 54.873 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.549 55.406 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.698 57.745 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.677 57.382 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.824 56.477 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.900 56.146 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.131 58.198 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.791 58.550 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.686 58.871 2.776 1.00 0.00 H new ATOM 1280 N CYS A 89 -13.322 55.791 2.569 1.00 0.00 N ATOM 1281 CA CYS A 89 -14.630 56.464 2.808 1.00 0.00 C ATOM 1282 C CYS A 89 -14.573 57.919 2.342 1.00 0.00 C ATOM 1283 O CYS A 89 -13.647 58.642 2.654 1.00 0.00 O ATOM 1284 CB CYS A 89 -14.840 56.400 4.319 1.00 0.00 C ATOM 1285 SG CYS A 89 -16.541 55.897 4.670 1.00 0.00 S ATOM 0 H CYS A 89 -12.796 55.548 3.408 1.00 0.00 H new ATOM 0 HA CYS A 89 -15.442 55.986 2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -14.141 55.692 4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -14.637 57.373 4.767 1.00 0.00 H new ATOM 1290 N LYS A 90 -15.556 58.351 1.596 1.00 0.00 N ATOM 1291 CA LYS A 90 -15.566 59.763 1.107 1.00 0.00 C ATOM 1292 C LYS A 90 -15.045 60.711 2.192 1.00 0.00 C ATOM 1293 O LYS A 90 -13.925 61.177 2.139 1.00 0.00 O ATOM 1294 CB LYS A 90 -17.032 60.065 0.796 1.00 0.00 C ATOM 1295 CG LYS A 90 -17.237 60.093 -0.719 1.00 0.00 C ATOM 1296 CD LYS A 90 -17.349 61.544 -1.193 1.00 0.00 C ATOM 1297 CE LYS A 90 -18.392 61.637 -2.310 1.00 0.00 C ATOM 1298 NZ LYS A 90 -19.363 62.665 -1.843 1.00 0.00 N ATOM 0 H LYS A 90 -16.354 57.787 1.304 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.925 59.898 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -17.674 59.308 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.317 61.023 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.403 59.600 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -18.139 59.542 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -17.633 62.189 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.382 61.896 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.934 61.927 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -18.881 60.677 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -20.110 62.786 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -19.788 62.358 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.870 63.570 -1.702 1.00 0.00 H new ATOM 1312 N TYR A 91 -15.850 60.996 3.176 1.00 0.00 N ATOM 1313 CA TYR A 91 -15.402 61.912 4.267 1.00 0.00 C ATOM 1314 C TYR A 91 -16.448 61.952 5.385 1.00 0.00 C ATOM 1315 O TYR A 91 -17.589 62.307 5.167 1.00 0.00 O ATOM 1316 CB TYR A 91 -15.269 63.283 3.606 1.00 0.00 C ATOM 1317 CG TYR A 91 -13.969 63.919 4.030 1.00 0.00 C ATOM 1318 CD1 TYR A 91 -13.600 63.925 5.381 1.00 0.00 C ATOM 1319 CD2 TYR A 91 -13.130 64.502 3.073 1.00 0.00 C ATOM 1320 CE1 TYR A 91 -12.392 64.515 5.774 1.00 0.00 C ATOM 1321 CE2 TYR A 91 -11.923 65.091 3.466 1.00 0.00 C ATOM 1322 CZ TYR A 91 -11.554 65.098 4.817 1.00 0.00 C ATOM 1323 OH TYR A 91 -10.363 65.678 5.204 1.00 0.00 O ATOM 0 H TYR A 91 -16.799 60.636 3.274 1.00 0.00 H new ATOM 0 HA TYR A 91 -14.465 61.588 4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -15.300 63.181 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -16.107 63.919 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -14.247 63.475 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.414 64.497 2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.107 64.520 6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.276 65.540 2.727 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.902 66.035 4.416 1.00 0.00 H new ATOM 1333 N GLY A 92 -16.069 61.585 6.580 1.00 0.00 N ATOM 1334 CA GLY A 92 -17.046 61.593 7.706 1.00 0.00 C ATOM 1335 C GLY A 92 -17.927 60.349 7.600 1.00 0.00 C ATOM 1336 O GLY A 92 -19.139 60.427 7.631 1.00 0.00 O ATOM 0 H GLY A 92 -15.127 61.281 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.521 61.604 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -17.658 62.494 7.668 1.00 0.00 H new ATOM 1340 N TYR A 93 -17.322 59.203 7.454 1.00 0.00 N ATOM 1341 CA TYR A 93 -18.114 57.947 7.321 1.00 0.00 C ATOM 1342 C TYR A 93 -17.255 56.734 7.684 1.00 0.00 C ATOM 1343 O TYR A 93 -16.049 56.825 7.797 1.00 0.00 O ATOM 1344 CB TYR A 93 -18.493 57.903 5.845 1.00 0.00 C ATOM 1345 CG TYR A 93 -19.520 58.967 5.549 1.00 0.00 C ATOM 1346 CD1 TYR A 93 -20.868 58.755 5.866 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -19.121 60.169 4.956 1.00 0.00 C ATOM 1348 CE1 TYR A 93 -21.816 59.748 5.586 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -20.067 61.160 4.677 1.00 0.00 C ATOM 1350 CZ TYR A 93 -21.415 60.950 4.992 1.00 0.00 C ATOM 1351 OH TYR A 93 -22.347 61.928 4.715 1.00 0.00 O ATOM 0 H TYR A 93 -16.310 59.081 7.421 1.00 0.00 H new ATOM 0 HA TYR A 93 -18.982 57.926 7.981 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -17.608 58.058 5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -18.891 56.920 5.591 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -21.176 57.827 6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -18.081 60.332 4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -22.856 59.586 5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -19.758 62.088 4.218 1.00 0.00 H new ATOM 0 HH TYR A 93 -21.901 62.698 4.305 1.00 0.00 H new ATOM 1361 N LYS A 94 -17.869 55.596 7.855 1.00 0.00 N ATOM 1362 CA LYS A 94 -17.093 54.371 8.198 1.00 0.00 C ATOM 1363 C LYS A 94 -17.329 53.299 7.133 1.00 0.00 C ATOM 1364 O LYS A 94 -18.450 52.937 6.843 1.00 0.00 O ATOM 1365 CB LYS A 94 -17.641 53.913 9.551 1.00 0.00 C ATOM 1366 CG LYS A 94 -17.028 52.561 9.922 1.00 0.00 C ATOM 1367 CD LYS A 94 -17.925 51.858 10.942 1.00 0.00 C ATOM 1368 CE LYS A 94 -17.145 50.731 11.622 1.00 0.00 C ATOM 1369 NZ LYS A 94 -17.415 49.524 10.793 1.00 0.00 N ATOM 0 H LYS A 94 -18.877 55.461 7.772 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.020 54.556 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -17.408 54.652 10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -18.727 53.831 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -16.918 51.943 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.030 52.703 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -18.275 52.573 11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -18.809 51.455 10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.079 50.955 11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -17.476 50.586 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.913 48.707 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -18.437 49.332 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.083 49.689 9.821 1.00 0.00 H new ATOM 1383 N LEU A 95 -16.289 52.791 6.541 1.00 0.00 N ATOM 1384 CA LEU A 95 -16.476 51.748 5.495 1.00 0.00 C ATOM 1385 C LEU A 95 -17.038 50.470 6.122 1.00 0.00 C ATOM 1386 O LEU A 95 -16.305 49.624 6.595 1.00 0.00 O ATOM 1387 CB LEU A 95 -15.078 51.500 4.930 1.00 0.00 C ATOM 1388 CG LEU A 95 -14.739 52.581 3.904 1.00 0.00 C ATOM 1389 CD1 LEU A 95 -13.268 52.976 4.037 1.00 0.00 C ATOM 1390 CD2 LEU A 95 -14.997 52.041 2.501 1.00 0.00 C ATOM 0 H LEU A 95 -15.321 53.050 6.733 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.178 52.058 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -14.343 51.506 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.033 50.516 4.464 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.363 53.457 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.031 53.747 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.084 53.360 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.640 52.103 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -14.757 52.809 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.373 51.165 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -16.047 51.763 2.405 1.00 0.00 H new ATOM 1402 N SER A 96 -18.334 50.324 6.129 1.00 0.00 N ATOM 1403 CA SER A 96 -18.943 49.101 6.724 1.00 0.00 C ATOM 1404 C SER A 96 -18.789 47.916 5.766 1.00 0.00 C ATOM 1405 O SER A 96 -19.382 47.885 4.706 1.00 0.00 O ATOM 1406 CB SER A 96 -20.419 49.448 6.913 1.00 0.00 C ATOM 1407 OG SER A 96 -21.216 48.342 6.510 1.00 0.00 O ATOM 0 H SER A 96 -18.998 50.999 5.749 1.00 0.00 H new ATOM 0 HA SER A 96 -18.467 48.816 7.662 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.616 49.692 7.957 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.676 50.329 6.325 1.00 0.00 H new ATOM 0 HG SER A 96 -20.910 48.019 5.637 1.00 0.00 H new ATOM 1413 N GLY A 97 -18.000 46.940 6.128 1.00 0.00 N ATOM 1414 CA GLY A 97 -17.816 45.763 5.232 1.00 0.00 C ATOM 1415 C GLY A 97 -16.331 45.405 5.143 1.00 0.00 C ATOM 1416 O GLY A 97 -15.863 44.484 5.781 1.00 0.00 O ATOM 0 H GLY A 97 -17.477 46.907 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -18.382 44.913 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.206 45.986 4.239 1.00 0.00 H new ATOM 1420 N SER A 98 -15.591 46.126 4.348 1.00 0.00 N ATOM 1421 CA SER A 98 -14.136 45.829 4.205 1.00 0.00 C ATOM 1422 C SER A 98 -13.440 46.958 3.436 1.00 0.00 C ATOM 1423 O SER A 98 -13.802 47.276 2.321 1.00 0.00 O ATOM 1424 CB SER A 98 -14.084 44.524 3.417 1.00 0.00 C ATOM 1425 OG SER A 98 -13.758 43.458 4.299 1.00 0.00 O ATOM 0 H SER A 98 -15.930 46.909 3.790 1.00 0.00 H new ATOM 0 HA SER A 98 -13.628 45.746 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.045 44.335 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.341 44.594 2.622 1.00 0.00 H new ATOM 0 HG SER A 98 -14.373 43.465 5.062 1.00 0.00 H new ATOM 1431 N SER A 99 -12.445 47.568 4.025 1.00 0.00 N ATOM 1432 CA SER A 99 -11.730 48.681 3.329 1.00 0.00 C ATOM 1433 C SER A 99 -10.654 48.128 2.391 1.00 0.00 C ATOM 1434 O SER A 99 -9.764 48.838 1.967 1.00 0.00 O ATOM 1435 CB SER A 99 -11.092 49.507 4.447 1.00 0.00 C ATOM 1436 OG SER A 99 -11.684 49.157 5.692 1.00 0.00 O ATOM 0 H SER A 99 -12.096 47.345 4.957 1.00 0.00 H new ATOM 0 HA SER A 99 -12.405 49.276 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.018 49.326 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.231 50.571 4.252 1.00 0.00 H new ATOM 0 HG SER A 99 -11.274 49.685 6.409 1.00 0.00 H new ATOM 1442 N SER A 100 -10.730 46.869 2.059 1.00 0.00 N ATOM 1443 CA SER A 100 -9.715 46.276 1.144 1.00 0.00 C ATOM 1444 C SER A 100 -10.287 45.032 0.466 1.00 0.00 C ATOM 1445 O SER A 100 -10.431 43.991 1.077 1.00 0.00 O ATOM 1446 CB SER A 100 -8.534 45.909 2.039 1.00 0.00 C ATOM 1447 OG SER A 100 -8.910 44.842 2.900 1.00 0.00 O ATOM 0 H SER A 100 -11.452 46.225 2.382 1.00 0.00 H new ATOM 0 HA SER A 100 -9.420 46.964 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.679 45.616 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.226 46.774 2.626 1.00 0.00 H new ATOM 0 HG SER A 100 -9.702 44.392 2.537 1.00 0.00 H new ATOM 1453 N SER A 101 -10.623 45.130 -0.788 1.00 0.00 N ATOM 1454 CA SER A 101 -11.195 43.951 -1.494 1.00 0.00 C ATOM 1455 C SER A 101 -10.378 43.608 -2.728 1.00 0.00 C ATOM 1456 O SER A 101 -9.442 44.295 -3.086 1.00 0.00 O ATOM 1457 CB SER A 101 -12.605 44.374 -1.896 1.00 0.00 C ATOM 1458 OG SER A 101 -13.210 45.080 -0.820 1.00 0.00 O ATOM 0 H SER A 101 -10.527 45.973 -1.354 1.00 0.00 H new ATOM 0 HA SER A 101 -11.193 43.063 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.568 45.004 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.201 43.498 -2.151 1.00 0.00 H new ATOM 0 HG SER A 101 -13.622 45.902 -1.159 1.00 0.00 H new ATOM 1464 N THR A 102 -10.731 42.541 -3.378 1.00 0.00 N ATOM 1465 CA THR A 102 -9.988 42.131 -4.588 1.00 0.00 C ATOM 1466 C THR A 102 -10.935 41.486 -5.593 1.00 0.00 C ATOM 1467 O THR A 102 -11.732 40.627 -5.259 1.00 0.00 O ATOM 1468 CB THR A 102 -8.952 41.123 -4.092 1.00 0.00 C ATOM 1469 OG1 THR A 102 -8.544 41.476 -2.778 1.00 0.00 O ATOM 1470 CG2 THR A 102 -7.744 41.137 -5.023 1.00 0.00 C ATOM 0 H THR A 102 -11.508 41.933 -3.119 1.00 0.00 H new ATOM 0 HA THR A 102 -9.520 42.975 -5.095 1.00 0.00 H new ATOM 0 HB THR A 102 -9.389 40.124 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.139 42.369 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.004 40.418 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.059 40.868 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.304 42.134 -5.034 1.00 0.00 H new ATOM 1478 N CYS A 103 -10.845 41.894 -6.823 1.00 0.00 N ATOM 1479 CA CYS A 103 -11.721 41.312 -7.868 1.00 0.00 C ATOM 1480 C CYS A 103 -11.428 39.813 -7.982 1.00 0.00 C ATOM 1481 O CYS A 103 -10.583 39.391 -8.742 1.00 0.00 O ATOM 1482 CB CYS A 103 -11.331 42.070 -9.141 1.00 0.00 C ATOM 1483 SG CYS A 103 -11.698 41.073 -10.601 1.00 0.00 S ATOM 0 H CYS A 103 -10.198 42.611 -7.151 1.00 0.00 H new ATOM 0 HA CYS A 103 -12.787 41.406 -7.662 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -11.874 43.014 -9.191 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -10.269 42.314 -9.116 1.00 0.00 H new ATOM 1488 N SER A 104 -12.111 39.010 -7.216 1.00 0.00 N ATOM 1489 CA SER A 104 -11.860 37.542 -7.262 1.00 0.00 C ATOM 1490 C SER A 104 -12.462 36.919 -8.517 1.00 0.00 C ATOM 1491 O SER A 104 -13.079 37.590 -9.319 1.00 0.00 O ATOM 1492 CB SER A 104 -12.547 36.988 -6.015 1.00 0.00 C ATOM 1493 OG SER A 104 -11.603 36.256 -5.243 1.00 0.00 O ATOM 0 H SER A 104 -12.833 39.306 -6.559 1.00 0.00 H new ATOM 0 HA SER A 104 -10.794 37.317 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.964 37.803 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.378 36.343 -6.300 1.00 0.00 H new ATOM 0 HG SER A 104 -12.041 35.901 -4.441 1.00 0.00 H new ATOM 1499 N PRO A 105 -12.253 35.637 -8.635 1.00 0.00 N ATOM 1500 CA PRO A 105 -12.771 34.885 -9.791 1.00 0.00 C ATOM 1501 C PRO A 105 -14.267 34.636 -9.624 1.00 0.00 C ATOM 1502 O PRO A 105 -14.727 34.199 -8.588 1.00 0.00 O ATOM 1503 CB PRO A 105 -11.980 33.587 -9.767 1.00 0.00 C ATOM 1504 CG PRO A 105 -11.545 33.414 -8.344 1.00 0.00 C ATOM 1505 CD PRO A 105 -11.519 34.780 -7.702 1.00 0.00 C ATOM 0 HA PRO A 105 -12.658 35.412 -10.738 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -12.592 32.747 -10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -11.122 33.637 -10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.231 32.755 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.559 32.952 -8.299 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.992 34.766 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.497 35.132 -7.559 1.00 0.00 H new ATOM 1513 N GLY A 106 -15.027 34.934 -10.634 1.00 0.00 N ATOM 1514 CA GLY A 106 -16.498 34.747 -10.545 1.00 0.00 C ATOM 1515 C GLY A 106 -17.177 36.072 -10.901 1.00 0.00 C ATOM 1516 O GLY A 106 -18.376 36.135 -11.084 1.00 0.00 O ATOM 0 H GLY A 106 -14.691 35.302 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.822 33.960 -11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.780 34.435 -9.540 1.00 0.00 H new ATOM 1520 N ASN A 107 -16.399 37.127 -10.999 1.00 0.00 N ATOM 1521 CA ASN A 107 -16.934 38.478 -11.350 1.00 0.00 C ATOM 1522 C ASN A 107 -17.527 39.163 -10.117 1.00 0.00 C ATOM 1523 O ASN A 107 -18.728 39.226 -9.949 1.00 0.00 O ATOM 1524 CB ASN A 107 -18.007 38.258 -12.425 1.00 0.00 C ATOM 1525 CG ASN A 107 -17.521 37.215 -13.435 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -16.593 37.461 -14.179 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -18.113 36.054 -13.493 1.00 0.00 N ATOM 0 H ASN A 107 -15.391 37.103 -10.846 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.142 39.129 -11.720 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -18.936 37.925 -11.962 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -18.224 39.197 -12.934 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -17.797 35.353 -14.163 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -18.892 35.847 -12.868 1.00 0.00 H new ATOM 1534 N THR A 108 -16.691 39.685 -9.253 1.00 0.00 N ATOM 1535 CA THR A 108 -17.213 40.371 -8.034 1.00 0.00 C ATOM 1536 C THR A 108 -16.093 41.093 -7.277 1.00 0.00 C ATOM 1537 O THR A 108 -14.988 41.237 -7.761 1.00 0.00 O ATOM 1538 CB THR A 108 -17.795 39.258 -7.167 1.00 0.00 C ATOM 1539 OG1 THR A 108 -17.439 37.992 -7.706 1.00 0.00 O ATOM 1540 CG2 THR A 108 -19.311 39.395 -7.137 1.00 0.00 C ATOM 0 H THR A 108 -15.675 39.665 -9.340 1.00 0.00 H new ATOM 0 HA THR A 108 -17.952 41.129 -8.293 1.00 0.00 H new ATOM 0 HB THR A 108 -17.398 39.336 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 108 -17.813 37.281 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 108 -19.736 38.604 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 108 -19.580 40.365 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 108 -19.704 39.315 -8.151 1.00 0.00 H new ATOM 1548 N TRP A 109 -16.384 41.546 -6.085 1.00 0.00 N ATOM 1549 CA TRP A 109 -15.358 42.262 -5.272 1.00 0.00 C ATOM 1550 C TRP A 109 -15.347 41.718 -3.841 1.00 0.00 C ATOM 1551 O TRP A 109 -16.130 42.124 -3.006 1.00 0.00 O ATOM 1552 CB TRP A 109 -15.788 43.727 -5.309 1.00 0.00 C ATOM 1553 CG TRP A 109 -15.184 44.361 -6.518 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -15.871 44.866 -7.572 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -13.773 44.558 -6.817 1.00 0.00 C ATOM 1556 NE1 TRP A 109 -14.966 45.337 -8.504 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -13.662 45.179 -8.080 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -12.589 44.256 -6.121 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -12.420 45.492 -8.634 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -11.338 44.572 -6.674 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -11.253 45.189 -7.928 1.00 0.00 C ATOM 0 H TRP A 109 -17.295 41.449 -5.637 1.00 0.00 H new ATOM 0 HA TRP A 109 -14.346 42.132 -5.656 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -16.875 43.803 -5.343 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -15.460 44.242 -4.406 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -16.946 44.895 -7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -15.230 45.752 -9.398 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -12.642 43.778 -5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -12.361 45.966 -9.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.436 44.338 -6.129 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -10.288 45.430 -8.348 1.00 0.00 H new ATOM 1572 N LYS A 110 -14.468 40.792 -3.555 1.00 0.00 N ATOM 1573 CA LYS A 110 -14.416 40.216 -2.179 1.00 0.00 C ATOM 1574 C LYS A 110 -13.256 40.830 -1.382 1.00 0.00 C ATOM 1575 O LYS A 110 -12.226 41.145 -1.943 1.00 0.00 O ATOM 1576 CB LYS A 110 -14.189 38.717 -2.386 1.00 0.00 C ATOM 1577 CG LYS A 110 -15.345 38.135 -3.203 1.00 0.00 C ATOM 1578 CD LYS A 110 -16.249 37.301 -2.292 1.00 0.00 C ATOM 1579 CE LYS A 110 -16.508 35.938 -2.938 1.00 0.00 C ATOM 1580 NZ LYS A 110 -17.252 35.159 -1.909 1.00 0.00 N ATOM 0 H LYS A 110 -13.787 40.412 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 110 -15.326 40.419 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.244 38.549 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.120 38.212 -1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.919 38.939 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.957 37.516 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.779 37.170 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -17.192 37.821 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.090 36.040 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.574 35.445 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.466 34.211 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.670 35.073 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.140 35.649 -1.678 1.00 0.00 H new ATOM 1594 N PRO A 111 -13.455 40.978 -0.091 1.00 0.00 N ATOM 1595 CA PRO A 111 -14.733 40.579 0.555 1.00 0.00 C ATOM 1596 C PRO A 111 -15.839 41.583 0.222 1.00 0.00 C ATOM 1597 O PRO A 111 -15.619 42.556 -0.471 1.00 0.00 O ATOM 1598 CB PRO A 111 -14.408 40.606 2.044 1.00 0.00 C ATOM 1599 CG PRO A 111 -13.267 41.562 2.176 1.00 0.00 C ATOM 1600 CD PRO A 111 -12.501 41.527 0.880 1.00 0.00 C ATOM 0 HA PRO A 111 -15.094 39.607 0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -15.267 40.934 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -14.136 39.615 2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -13.631 42.569 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.624 41.280 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -12.166 42.523 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -11.611 40.902 0.961 1.00 0.00 H new ATOM 1608 N GLU A 112 -17.027 41.339 0.704 1.00 0.00 N ATOM 1609 CA GLU A 112 -18.166 42.262 0.418 1.00 0.00 C ATOM 1610 C GLU A 112 -17.699 43.722 0.413 1.00 0.00 C ATOM 1611 O GLU A 112 -17.123 44.206 1.367 1.00 0.00 O ATOM 1612 CB GLU A 112 -19.161 42.023 1.554 1.00 0.00 C ATOM 1613 CG GLU A 112 -20.271 43.073 1.489 1.00 0.00 C ATOM 1614 CD GLU A 112 -20.423 43.748 2.853 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -19.762 43.318 3.784 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -21.199 44.684 2.945 1.00 0.00 O ATOM 0 H GLU A 112 -17.260 40.535 1.287 1.00 0.00 H new ATOM 0 HA GLU A 112 -18.604 42.074 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -19.587 41.023 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -18.651 42.077 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -20.036 43.818 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -21.211 42.605 1.197 1.00 0.00 H new ATOM 1623 N LEU A 113 -17.947 44.424 -0.660 1.00 0.00 N ATOM 1624 CA LEU A 113 -17.523 45.852 -0.739 1.00 0.00 C ATOM 1625 C LEU A 113 -17.905 46.589 0.546 1.00 0.00 C ATOM 1626 O LEU A 113 -18.942 46.335 1.126 1.00 0.00 O ATOM 1627 CB LEU A 113 -18.290 46.424 -1.932 1.00 0.00 C ATOM 1628 CG LEU A 113 -17.310 47.052 -2.927 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -16.177 46.069 -3.228 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -18.048 47.381 -4.227 1.00 0.00 C ATOM 0 H LEU A 113 -18.426 44.069 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.445 45.958 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -18.862 45.635 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -19.005 47.172 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.895 47.963 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.482 46.520 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.649 45.829 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.591 45.157 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -17.352 47.828 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -18.462 46.467 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -18.856 48.083 -4.019 1.00 0.00 H new ATOM 1642 N PRO A 114 -17.048 47.486 0.943 1.00 0.00 N ATOM 1643 CA PRO A 114 -17.289 48.282 2.170 1.00 0.00 C ATOM 1644 C PRO A 114 -18.428 49.281 1.950 1.00 0.00 C ATOM 1645 O PRO A 114 -18.867 49.506 0.839 1.00 0.00 O ATOM 1646 CB PRO A 114 -15.964 49.003 2.396 1.00 0.00 C ATOM 1647 CG PRO A 114 -15.313 49.054 1.051 1.00 0.00 C ATOM 1648 CD PRO A 114 -15.784 47.843 0.291 1.00 0.00 C ATOM 0 HA PRO A 114 -17.587 47.672 3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.124 50.005 2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.342 48.469 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -15.584 49.969 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -14.227 49.051 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -15.929 48.066 -0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -15.061 47.029 0.349 1.00 0.00 H new ATOM 1656 N LYS A 115 -18.910 49.880 3.004 1.00 0.00 N ATOM 1657 CA LYS A 115 -20.020 50.863 2.860 1.00 0.00 C ATOM 1658 C LYS A 115 -19.709 52.131 3.651 1.00 0.00 C ATOM 1659 O LYS A 115 -19.728 52.135 4.864 1.00 0.00 O ATOM 1660 CB LYS A 115 -21.252 50.161 3.434 1.00 0.00 C ATOM 1661 CG LYS A 115 -22.494 51.018 3.180 1.00 0.00 C ATOM 1662 CD LYS A 115 -23.691 50.109 2.892 1.00 0.00 C ATOM 1663 CE LYS A 115 -24.824 50.423 3.872 1.00 0.00 C ATOM 1664 NZ LYS A 115 -26.019 49.736 3.308 1.00 0.00 N ATOM 0 H LYS A 115 -18.583 49.731 3.959 1.00 0.00 H new ATOM 0 HA LYS A 115 -20.170 51.165 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -21.373 49.181 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -21.124 49.996 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -22.700 51.645 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -22.321 51.687 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -24.033 50.255 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -23.397 49.064 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -24.594 50.057 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -24.988 51.497 3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -26.839 49.904 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -26.218 50.109 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -25.835 48.714 3.247 1.00 0.00 H new ATOM 1678 N CYS A 116 -19.429 53.213 2.977 1.00 0.00 N ATOM 1679 CA CYS A 116 -19.130 54.473 3.709 1.00 0.00 C ATOM 1680 C CYS A 116 -20.367 54.887 4.505 1.00 0.00 C ATOM 1681 O CYS A 116 -21.223 55.605 4.027 1.00 0.00 O ATOM 1682 CB CYS A 116 -18.796 55.486 2.608 1.00 0.00 C ATOM 1683 SG CYS A 116 -17.644 56.759 3.206 1.00 0.00 S ATOM 0 H CYS A 116 -19.395 53.278 1.960 1.00 0.00 H new ATOM 0 HA CYS A 116 -18.310 54.385 4.422 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -18.357 54.968 1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -19.713 55.959 2.256 1.00 0.00 H new ATOM 1688 N VAL A 117 -20.467 54.416 5.716 1.00 0.00 N ATOM 1689 CA VAL A 117 -21.652 54.751 6.559 1.00 0.00 C ATOM 1690 C VAL A 117 -21.300 55.768 7.616 1.00 0.00 C ATOM 1691 O VAL A 117 -20.210 56.300 7.657 1.00 0.00 O ATOM 1692 CB VAL A 117 -22.073 53.451 7.237 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -22.879 52.633 6.257 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -20.848 52.647 7.672 1.00 0.00 C ATOM 0 H VAL A 117 -19.777 53.811 6.162 1.00 0.00 H new ATOM 0 HA VAL A 117 -22.446 55.176 5.946 1.00 0.00 H new ATOM 0 HB VAL A 117 -22.667 53.686 8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -23.187 51.700 6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -23.762 53.195 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -22.270 52.413 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -21.171 51.724 8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -20.241 52.408 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -20.258 53.235 8.375 1.00 0.00 H new ATOM 1704 N ARG A 118 -22.226 56.035 8.480 1.00 0.00 N ATOM 1705 CA ARG A 118 -21.956 57.013 9.548 1.00 0.00 C ATOM 1706 C ARG A 118 -22.022 56.337 10.920 1.00 0.00 C ATOM 1707 O ARG A 118 -21.256 55.412 11.141 1.00 0.00 O ATOM 1708 CB ARG A 118 -23.046 58.074 9.410 1.00 0.00 C ATOM 1709 CG ARG A 118 -22.693 59.018 8.262 1.00 0.00 C ATOM 1710 CD ARG A 118 -23.627 60.230 8.289 1.00 0.00 C ATOM 1711 NE ARG A 118 -22.761 61.388 7.933 1.00 0.00 N ATOM 1712 CZ ARG A 118 -22.399 62.237 8.854 1.00 0.00 C ATOM 1713 NH1 ARG A 118 -21.372 61.973 9.615 1.00 0.00 N ATOM 1714 NH2 ARG A 118 -23.063 63.348 9.015 1.00 0.00 N ATOM 1715 OXT ARG A 118 -22.837 56.754 11.725 1.00 0.00 O ATOM 0 H ARG A 118 -23.157 55.618 8.491 1.00 0.00 H new ATOM 0 HA ARG A 118 -20.960 57.448 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -24.009 57.599 9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -23.143 58.635 10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -21.656 59.343 8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -22.784 58.497 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -24.445 60.115 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -24.077 60.361 9.273 1.00 0.00 H new ATOM 0 HE ARG A 118 -22.451 61.517 6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -20.854 61.104 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -21.088 62.636 10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -23.866 63.553 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -22.779 64.012 9.736 1.00 0.00 H new