USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 667 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 8 CYS SG : rot 140:sc= -4.62! USER MOD Set 1.2: A 96 SER OG : rot 98:sc= 1.01 USER MOD Set 2.1: A 62 THR OG1 : rot 94:sc= 0.596 USER MOD Set 2.2: A 81 CYS SG : rot -81:sc= -2! USER MOD Set 2.3: A 95 CYS SG : rot -79:sc= 2.61 USER MOD Set 3.1: A 59 CYS SG : rot 162:sc= -4.31 USER MOD Set 3.2: A 65 CYS SG : rot 136:sc= -2.54! USER MOD Set 3.3: A 79 CYS SG : rot 87:sc= -10.9! USER MOD Set 4.1: A 73 ASN : amide:sc= -4.93! C(o=-12!,f=-10!) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 167:sc= -7.01! (180deg=-6.51!) USER MOD Set 5.1: A 32 CYS SG : rot 170:sc= 1.09 USER MOD Set 5.2: A 44 CYS SG : rot -78:sc= -5.03! USER MOD Set 5.3: A 55 ASN : amide:sc= -1.43 X(o=-5.4,f=-5.4) USER MOD Set 6.1: A 52 CYS SG : rot 45:sc= -1.03 USER MOD Set 6.2: A 56 ASN : amide:sc= -2.89 K(o=-3.9,f=-5.2!) USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= 1.15 (180deg=0.563) USER MOD Single : A 6 HIS : no HD1:sc= -12.5! C(o=-12!,f=-9.6!) USER MOD Single : A 11 THR OG1 : rot 18:sc= 0.528 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 1.27 (180deg=0.713) USER MOD Single : A 17 ASN : amide:sc= -1.05! X(o=-1.1!,f=-1.4) USER MOD Single : A 20 CYS SG : rot 26:sc= 0.12 USER MOD Single : A 27 THR OG1 : rot 91:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.2) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.0926 (180deg=-0.469) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 43 THR OG1 : rot -139:sc= -3.85! USER MOD Single : A 47 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.1!) USER MOD Single : A 48 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.0052) USER MOD Single : A 49 ASN : amide:sc=-0.00767 K(o=-0.0077,f=-0.99) USER MOD Single : A 51 THR OG1 : rot -76:sc= 0.227 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.98!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00378 USER MOD Single : A 74 SER OG : rot 47:sc= 1.18 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0.527 (180deg=0.381) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -25:sc= 0.737 USER MOD Single : A 87 ASN : amide:sc= -1.38 K(o=-1.4,f=-3) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 157:sc= -6.58! USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.482 -8.180 3.974 1.00 0.00 N ATOM 27 CA ASP A 3 -11.616 -8.532 2.577 1.00 0.00 C ATOM 28 C ASP A 3 -11.594 -7.265 1.741 1.00 0.00 C ATOM 29 O ASP A 3 -12.448 -6.407 1.915 1.00 0.00 O ATOM 30 CB ASP A 3 -12.930 -9.274 2.328 1.00 0.00 C ATOM 31 CG ASP A 3 -13.182 -10.406 3.307 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.678 -10.133 4.422 1.00 0.00 O ATOM 33 OD2 ASP A 3 -12.908 -11.576 2.966 1.00 0.00 O ATOM 0 HA ASP A 3 -10.788 -9.184 2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.755 -8.564 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.925 -9.675 1.315 1.00 0.00 H new ATOM 38 N PRO A 4 -10.582 -7.132 0.866 1.00 0.00 N ATOM 39 CA PRO A 4 -10.417 -6.044 -0.115 1.00 0.00 C ATOM 40 C PRO A 4 -11.688 -5.480 -0.771 1.00 0.00 C ATOM 41 O PRO A 4 -11.611 -4.427 -1.369 1.00 0.00 O ATOM 42 CB PRO A 4 -9.581 -6.731 -1.179 1.00 0.00 C ATOM 43 CG PRO A 4 -8.721 -7.688 -0.445 1.00 0.00 C ATOM 44 CD PRO A 4 -9.388 -7.987 0.865 1.00 0.00 C ATOM 0 HA PRO A 4 -10.003 -5.165 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.212 -7.246 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.981 -6.010 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.586 -8.602 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.730 -7.265 -0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.653 -9.041 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.734 -7.758 1.706 1.00 0.00 H new ATOM 52 N LYS A 5 -12.836 -6.128 -0.639 1.00 0.00 N ATOM 53 CA LYS A 5 -14.127 -5.614 -1.174 1.00 0.00 C ATOM 54 C LYS A 5 -14.439 -4.133 -0.795 1.00 0.00 C ATOM 55 O LYS A 5 -15.512 -3.621 -1.114 1.00 0.00 O ATOM 56 CB LYS A 5 -15.256 -6.505 -0.675 1.00 0.00 C ATOM 57 CG LYS A 5 -15.439 -6.410 0.822 1.00 0.00 C ATOM 58 CD LYS A 5 -16.545 -5.425 1.189 1.00 0.00 C ATOM 59 CE LYS A 5 -17.385 -5.893 2.370 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.609 -5.983 3.633 1.00 0.00 N ATOM 0 H LYS A 5 -12.919 -7.026 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.040 -5.636 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.185 -6.224 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.048 -7.539 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.679 -7.395 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.503 -6.097 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.100 -4.458 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.193 -5.275 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.219 -5.206 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.811 -6.870 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.217 -5.718 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.270 -6.958 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.795 -5.337 3.587 1.00 0.00 H new ATOM 74 N HIS A 6 -13.506 -3.470 -0.115 1.00 0.00 N ATOM 75 CA HIS A 6 -13.681 -2.104 0.380 1.00 0.00 C ATOM 76 C HIS A 6 -13.881 -1.128 -0.776 1.00 0.00 C ATOM 77 O HIS A 6 -14.693 -0.217 -0.680 1.00 0.00 O ATOM 78 CB HIS A 6 -12.391 -1.647 1.077 1.00 0.00 C ATOM 79 CG HIS A 6 -11.748 -2.603 2.027 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.363 -2.264 3.303 1.00 0.00 N ATOM 81 CD2 HIS A 6 -11.301 -3.852 1.833 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.697 -3.265 3.841 1.00 0.00 C ATOM 83 NE2 HIS A 6 -10.647 -4.244 2.969 1.00 0.00 N ATOM 0 H HIS A 6 -12.595 -3.870 0.111 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.543 -2.108 1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.662 -1.397 0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.609 -0.728 1.620 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.434 -4.443 0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.266 -3.278 4.831 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.196 -5.147 3.114 1.00 0.00 H new ATOM 92 N VAL A 7 -13.183 -1.414 -1.876 1.00 0.00 N ATOM 93 CA VAL A 7 -13.082 -0.556 -3.084 1.00 0.00 C ATOM 94 C VAL A 7 -12.974 0.951 -2.831 1.00 0.00 C ATOM 95 O VAL A 7 -13.708 1.548 -2.055 1.00 0.00 O ATOM 96 CB VAL A 7 -14.222 -0.776 -4.080 1.00 0.00 C ATOM 97 CG1 VAL A 7 -13.703 -0.569 -5.481 1.00 0.00 C ATOM 98 CG2 VAL A 7 -14.863 -2.145 -3.932 1.00 0.00 C ATOM 0 H VAL A 7 -12.649 -2.278 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.133 -0.891 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.005 -0.048 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.512 -0.725 -6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -13.321 0.447 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.901 -1.280 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.666 -2.251 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.114 -2.918 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.270 -2.249 -2.926 1.00 0.00 H new ATOM 108 N CYS A 8 -12.100 1.580 -3.599 1.00 0.00 N ATOM 109 CA CYS A 8 -11.859 3.002 -3.473 1.00 0.00 C ATOM 110 C CYS A 8 -12.592 3.756 -4.572 1.00 0.00 C ATOM 111 O CYS A 8 -12.535 3.386 -5.743 1.00 0.00 O ATOM 112 CB CYS A 8 -10.362 3.277 -3.547 1.00 0.00 C ATOM 113 SG CYS A 8 -9.345 1.778 -3.539 1.00 0.00 S ATOM 0 H CYS A 8 -11.543 1.121 -4.320 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.234 3.346 -2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.150 3.844 -4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.075 3.905 -2.704 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.361 1.917 -4.377 1.00 0.00 H new ATOM 119 N VAL A 9 -13.289 4.807 -4.172 1.00 0.00 N ATOM 120 CA VAL A 9 -14.183 5.518 -5.069 1.00 0.00 C ATOM 121 C VAL A 9 -13.604 6.869 -5.473 1.00 0.00 C ATOM 122 O VAL A 9 -13.679 7.278 -6.631 1.00 0.00 O ATOM 123 CB VAL A 9 -15.540 5.766 -4.379 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.604 6.159 -5.395 1.00 0.00 C ATOM 125 CG2 VAL A 9 -15.971 4.553 -3.564 1.00 0.00 C ATOM 0 H VAL A 9 -13.252 5.188 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.311 4.899 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.419 6.600 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.551 6.328 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.299 7.072 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.724 5.358 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -16.931 4.756 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.067 3.689 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.224 4.345 -2.798 1.00 0.00 H new ATOM 135 N ASP A 10 -13.024 7.543 -4.499 1.00 0.00 N ATOM 136 CA ASP A 10 -12.627 8.929 -4.627 1.00 0.00 C ATOM 137 C ASP A 10 -11.140 9.096 -4.382 1.00 0.00 C ATOM 138 O ASP A 10 -10.402 9.500 -5.279 1.00 0.00 O ATOM 139 CB ASP A 10 -13.408 9.759 -3.616 1.00 0.00 C ATOM 140 CG ASP A 10 -13.846 8.947 -2.413 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.060 8.085 -1.946 1.00 0.00 O ATOM 142 OD2 ASP A 10 -14.969 9.165 -1.920 1.00 0.00 O ATOM 0 H ASP A 10 -12.813 7.138 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.842 9.265 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.791 10.593 -3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.286 10.186 -4.102 1.00 0.00 H new ATOM 147 N THR A 11 -10.714 8.792 -3.158 1.00 0.00 N ATOM 148 CA THR A 11 -9.303 8.838 -2.778 1.00 0.00 C ATOM 149 C THR A 11 -8.655 10.170 -3.152 1.00 0.00 C ATOM 150 O THR A 11 -7.573 10.222 -3.734 1.00 0.00 O ATOM 151 CB THR A 11 -8.539 7.639 -3.374 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.687 7.577 -4.801 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.058 6.352 -2.747 1.00 0.00 C ATOM 0 H THR A 11 -11.336 8.507 -2.402 1.00 0.00 H new ATOM 0 HA THR A 11 -9.248 8.762 -1.692 1.00 0.00 H new ATOM 0 HB THR A 11 -7.479 7.764 -3.154 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.000 8.443 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.521 5.501 -3.165 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.903 6.384 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.122 6.248 -2.958 1.00 0.00 H new ATOM 161 N ARG A 12 -9.335 11.250 -2.784 1.00 0.00 N ATOM 162 CA ARG A 12 -8.851 12.598 -3.052 1.00 0.00 C ATOM 163 C ARG A 12 -7.828 13.013 -2.004 1.00 0.00 C ATOM 164 O ARG A 12 -6.950 13.838 -2.261 1.00 0.00 O ATOM 165 CB ARG A 12 -10.022 13.579 -3.081 1.00 0.00 C ATOM 166 CG ARG A 12 -11.013 13.276 -4.168 1.00 0.00 C ATOM 167 CD ARG A 12 -10.391 13.463 -5.524 1.00 0.00 C ATOM 168 NE ARG A 12 -11.270 12.998 -6.582 1.00 0.00 N ATOM 169 CZ ARG A 12 -10.866 12.746 -7.824 1.00 0.00 C ATOM 170 NH1 ARG A 12 -9.589 12.902 -8.152 1.00 0.00 N ATOM 171 NH2 ARG A 12 -11.735 12.328 -8.734 1.00 0.00 N ATOM 0 H ARG A 12 -10.230 11.216 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.364 12.610 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.530 13.558 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.639 14.590 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.371 12.252 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.881 13.928 -4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.161 14.517 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.446 12.921 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.255 12.856 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.917 13.215 -7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.280 12.709 -9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.715 12.199 -8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.424 12.135 -9.686 1.00 0.00 H new ATOM 185 N ASP A 13 -7.943 12.409 -0.826 1.00 0.00 N ATOM 186 CA ASP A 13 -7.021 12.661 0.284 1.00 0.00 C ATOM 187 C ASP A 13 -5.702 11.935 0.052 1.00 0.00 C ATOM 188 O ASP A 13 -4.753 12.077 0.823 1.00 0.00 O ATOM 189 CB ASP A 13 -7.631 12.153 1.593 1.00 0.00 C ATOM 190 CG ASP A 13 -9.046 12.652 1.817 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.990 12.037 1.271 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.223 13.660 2.532 1.00 0.00 O ATOM 0 H ASP A 13 -8.675 11.732 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.844 13.735 0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.632 11.063 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.004 12.468 2.427 1.00 0.00 H new ATOM 197 N ILE A 14 -5.666 11.160 -1.019 1.00 0.00 N ATOM 198 CA ILE A 14 -4.558 10.266 -1.313 1.00 0.00 C ATOM 199 C ILE A 14 -3.400 11.033 -1.967 1.00 0.00 C ATOM 200 O ILE A 14 -3.524 11.556 -3.078 1.00 0.00 O ATOM 201 CB ILE A 14 -5.047 9.098 -2.215 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.771 8.013 -1.386 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.889 8.475 -2.988 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.832 8.522 -0.428 1.00 0.00 C ATOM 0 H ILE A 14 -6.411 11.133 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.184 9.844 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.755 9.518 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.236 7.306 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.026 7.460 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.262 7.661 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.425 9.232 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.151 8.086 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.277 7.680 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.377 9.204 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.606 9.048 -0.988 1.00 0.00 H new ATOM 216 N PRO A 15 -2.276 11.142 -1.235 1.00 0.00 N ATOM 217 CA PRO A 15 -1.075 11.874 -1.673 1.00 0.00 C ATOM 218 C PRO A 15 -0.340 11.235 -2.852 1.00 0.00 C ATOM 219 O PRO A 15 -0.753 10.203 -3.387 1.00 0.00 O ATOM 220 CB PRO A 15 -0.160 11.846 -0.448 1.00 0.00 C ATOM 221 CG PRO A 15 -1.009 11.416 0.691 1.00 0.00 C ATOM 222 CD PRO A 15 -2.114 10.591 0.116 1.00 0.00 C ATOM 0 HA PRO A 15 -1.356 12.868 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.670 11.156 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.272 12.829 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.428 10.838 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.408 12.279 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.855 9.533 0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.030 10.681 0.700 1.00 0.00 H new ATOM 230 N LYS A 16 0.764 11.869 -3.243 1.00 0.00 N ATOM 231 CA LYS A 16 1.630 11.342 -4.291 1.00 0.00 C ATOM 232 C LYS A 16 2.381 10.120 -3.786 1.00 0.00 C ATOM 233 O LYS A 16 2.574 9.948 -2.575 1.00 0.00 O ATOM 234 CB LYS A 16 2.653 12.385 -4.741 1.00 0.00 C ATOM 235 CG LYS A 16 3.887 12.383 -3.876 1.00 0.00 C ATOM 236 CD LYS A 16 4.839 13.511 -4.218 1.00 0.00 C ATOM 237 CE LYS A 16 5.955 13.610 -3.190 1.00 0.00 C ATOM 238 NZ LYS A 16 6.916 14.698 -3.506 1.00 0.00 N ATOM 0 H LYS A 16 1.080 12.754 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 16 0.995 11.074 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.936 12.191 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.196 13.374 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.593 12.465 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.404 11.430 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.265 13.346 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.293 14.453 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.524 13.784 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.487 12.660 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.467 14.933 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.560 14.384 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.395 15.540 -3.824 1.00 0.00 H new ATOM 252 N ASN A 17 2.818 9.298 -4.734 1.00 0.00 N ATOM 253 CA ASN A 17 3.560 8.060 -4.458 1.00 0.00 C ATOM 254 C ASN A 17 2.779 7.137 -3.533 1.00 0.00 C ATOM 255 O ASN A 17 3.301 6.139 -3.027 1.00 0.00 O ATOM 256 CB ASN A 17 4.914 8.391 -3.846 1.00 0.00 C ATOM 257 CG ASN A 17 5.744 9.284 -4.742 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.805 9.088 -5.956 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.348 10.300 -4.154 1.00 0.00 N ATOM 0 H ASN A 17 2.668 9.469 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 17 3.708 7.538 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.766 8.882 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.459 7.467 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.892 10.961 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.271 10.424 -3.145 1.00 0.00 H new ATOM 266 N ALA A 18 1.526 7.484 -3.326 1.00 0.00 N ATOM 267 CA ALA A 18 0.654 6.748 -2.454 1.00 0.00 C ATOM 268 C ALA A 18 -0.471 6.136 -3.263 1.00 0.00 C ATOM 269 O ALA A 18 -1.104 6.807 -4.079 1.00 0.00 O ATOM 270 CB ALA A 18 0.102 7.672 -1.371 1.00 0.00 C ATOM 0 H ALA A 18 1.086 8.293 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 18 1.212 5.947 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.559 7.107 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.927 8.085 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.457 8.484 -1.836 1.00 0.00 H new ATOM 276 N GLY A 19 -0.689 4.858 -3.053 1.00 0.00 N ATOM 277 CA GLY A 19 -1.760 4.171 -3.730 1.00 0.00 C ATOM 278 C GLY A 19 -3.098 4.528 -3.122 1.00 0.00 C ATOM 279 O GLY A 19 -3.158 4.982 -1.977 1.00 0.00 O ATOM 0 H GLY A 19 -0.140 4.276 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.755 4.434 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.603 3.094 -3.668 1.00 0.00 H new ATOM 283 N CYS A 20 -4.166 4.334 -3.864 1.00 0.00 N ATOM 284 CA CYS A 20 -5.465 4.750 -3.400 1.00 0.00 C ATOM 285 C CYS A 20 -6.271 3.565 -2.879 1.00 0.00 C ATOM 286 O CYS A 20 -6.342 2.512 -3.519 1.00 0.00 O ATOM 287 CB CYS A 20 -6.201 5.464 -4.527 1.00 0.00 C ATOM 288 SG CYS A 20 -6.526 4.437 -5.979 1.00 0.00 S ATOM 0 H CYS A 20 -4.159 3.894 -4.784 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.338 5.441 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.150 5.840 -4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.616 6.331 -4.834 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.573 3.187 -5.625 1.00 0.00 H new ATOM 294 N PHE A 21 -6.866 3.737 -1.707 1.00 0.00 N ATOM 295 CA PHE A 21 -7.591 2.662 -1.057 1.00 0.00 C ATOM 296 C PHE A 21 -8.788 3.209 -0.295 1.00 0.00 C ATOM 297 O PHE A 21 -8.841 4.384 0.030 1.00 0.00 O ATOM 298 CB PHE A 21 -6.651 1.917 -0.112 1.00 0.00 C ATOM 299 CG PHE A 21 -7.217 0.668 0.512 1.00 0.00 C ATOM 300 CD1 PHE A 21 -7.714 -0.364 -0.274 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.220 0.516 1.889 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.203 -1.524 0.310 1.00 0.00 C ATOM 303 CE2 PHE A 21 -7.710 -0.636 2.473 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.199 -1.656 1.681 1.00 0.00 C ATOM 0 H PHE A 21 -6.859 4.615 -1.188 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.961 1.971 -1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.748 1.651 -0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.351 2.597 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.720 -0.263 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.834 1.308 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.586 -2.322 -0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.711 -0.739 3.548 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.579 -2.558 2.137 1.00 0.00 H new ATOM 314 N ARG A 22 -9.789 2.381 -0.112 1.00 0.00 N ATOM 315 CA ARG A 22 -10.846 2.658 0.831 1.00 0.00 C ATOM 316 C ARG A 22 -10.800 1.562 1.870 1.00 0.00 C ATOM 317 O ARG A 22 -10.494 0.426 1.532 1.00 0.00 O ATOM 318 CB ARG A 22 -12.200 2.627 0.136 1.00 0.00 C ATOM 319 CG ARG A 22 -13.324 3.266 0.934 1.00 0.00 C ATOM 320 CD ARG A 22 -13.564 4.722 0.547 1.00 0.00 C ATOM 321 NE ARG A 22 -14.790 5.245 1.151 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.405 6.360 0.756 1.00 0.00 C ATOM 323 NH1 ARG A 22 -14.895 7.092 -0.223 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.528 6.742 1.348 1.00 0.00 N ATOM 0 H ARG A 22 -9.894 1.498 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.713 3.644 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.115 3.137 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.463 1.591 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.241 2.697 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.087 3.211 1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.715 5.328 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.628 4.805 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.201 4.722 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.029 6.803 -0.678 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.369 7.944 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.921 6.183 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.999 7.595 1.046 1.00 0.00 H new ATOM 338 N ASP A 23 -11.066 1.868 3.119 1.00 0.00 N ATOM 339 CA ASP A 23 -11.118 0.822 4.116 1.00 0.00 C ATOM 340 C ASP A 23 -12.573 0.515 4.425 1.00 0.00 C ATOM 341 O ASP A 23 -13.475 1.266 4.047 1.00 0.00 O ATOM 342 CB ASP A 23 -10.347 1.205 5.386 1.00 0.00 C ATOM 343 CG ASP A 23 -9.779 -0.010 6.108 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.514 -1.005 6.285 1.00 0.00 O ATOM 345 OD2 ASP A 23 -8.584 0.016 6.479 1.00 0.00 O ATOM 0 H ASP A 23 -11.246 2.811 3.465 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.632 -0.070 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.534 1.882 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.009 1.748 6.060 1.00 0.00 H new ATOM 350 N ASP A 24 -12.791 -0.595 5.109 1.00 0.00 N ATOM 351 CA ASP A 24 -14.102 -1.225 5.168 1.00 0.00 C ATOM 352 C ASP A 24 -15.057 -0.432 6.043 1.00 0.00 C ATOM 353 O ASP A 24 -16.271 -0.637 6.008 1.00 0.00 O ATOM 354 CB ASP A 24 -13.962 -2.650 5.693 1.00 0.00 C ATOM 355 CG ASP A 24 -15.088 -3.546 5.234 1.00 0.00 C ATOM 356 OD1 ASP A 24 -15.123 -3.881 4.033 1.00 0.00 O ATOM 357 OD2 ASP A 24 -15.918 -3.947 6.071 1.00 0.00 O ATOM 0 H ASP A 24 -12.069 -1.084 5.637 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.518 -1.249 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.011 -3.066 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.937 -2.632 6.783 1.00 0.00 H new ATOM 362 N ASP A 25 -14.494 0.485 6.814 1.00 0.00 N ATOM 363 CA ASP A 25 -15.261 1.331 7.705 1.00 0.00 C ATOM 364 C ASP A 25 -15.883 2.493 6.938 1.00 0.00 C ATOM 365 O ASP A 25 -16.808 3.146 7.421 1.00 0.00 O ATOM 366 CB ASP A 25 -14.346 1.872 8.800 1.00 0.00 C ATOM 367 CG ASP A 25 -13.424 2.965 8.300 1.00 0.00 C ATOM 368 OD1 ASP A 25 -12.802 2.788 7.235 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.337 4.020 8.965 1.00 0.00 O ATOM 0 H ASP A 25 -13.490 0.661 6.837 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.062 0.740 8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.954 2.260 9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.749 1.055 9.206 1.00 0.00 H new ATOM 374 N GLY A 26 -15.360 2.747 5.744 1.00 0.00 N ATOM 375 CA GLY A 26 -15.857 3.833 4.928 1.00 0.00 C ATOM 376 C GLY A 26 -14.826 4.926 4.736 1.00 0.00 C ATOM 377 O GLY A 26 -15.072 5.903 4.032 1.00 0.00 O ATOM 0 H GLY A 26 -14.596 2.215 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.158 3.445 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.748 4.255 5.392 1.00 0.00 H new ATOM 381 N THR A 27 -13.672 4.765 5.364 1.00 0.00 N ATOM 382 CA THR A 27 -12.597 5.735 5.252 1.00 0.00 C ATOM 383 C THR A 27 -11.739 5.460 4.029 1.00 0.00 C ATOM 384 O THR A 27 -11.358 4.324 3.785 1.00 0.00 O ATOM 385 CB THR A 27 -11.711 5.713 6.510 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.473 6.113 7.656 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.498 6.618 6.352 1.00 0.00 C ATOM 0 H THR A 27 -13.456 3.966 5.960 1.00 0.00 H new ATOM 0 HA THR A 27 -13.054 6.719 5.150 1.00 0.00 H new ATOM 0 HB THR A 27 -11.354 4.692 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.869 5.322 8.078 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.894 6.579 7.259 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.902 6.282 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.828 7.642 6.180 1.00 0.00 H new ATOM 395 N LYS A 28 -11.444 6.488 3.246 1.00 0.00 N ATOM 396 CA LYS A 28 -10.501 6.322 2.157 1.00 0.00 C ATOM 397 C LYS A 28 -9.097 6.393 2.712 1.00 0.00 C ATOM 398 O LYS A 28 -8.720 7.357 3.381 1.00 0.00 O ATOM 399 CB LYS A 28 -10.651 7.364 1.053 1.00 0.00 C ATOM 400 CG LYS A 28 -11.833 8.289 1.215 1.00 0.00 C ATOM 401 CD LYS A 28 -11.726 9.464 0.263 1.00 0.00 C ATOM 402 CE LYS A 28 -12.819 10.501 0.496 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.546 11.345 1.688 1.00 0.00 N ATOM 0 H LYS A 28 -11.836 7.425 3.343 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.708 5.352 1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.741 7.963 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.738 6.850 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.757 7.743 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.881 8.650 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.750 9.936 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.784 9.103 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.908 11.137 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.776 9.995 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.031 12.259 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.894 10.863 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.522 11.504 1.773 1.00 0.00 H new ATOM 417 N GLU A 29 -8.340 5.370 2.433 1.00 0.00 N ATOM 418 CA GLU A 29 -6.997 5.263 2.921 1.00 0.00 C ATOM 419 C GLU A 29 -5.992 5.424 1.818 1.00 0.00 C ATOM 420 O GLU A 29 -6.317 5.423 0.631 1.00 0.00 O ATOM 421 CB GLU A 29 -6.756 3.928 3.578 1.00 0.00 C ATOM 422 CG GLU A 29 -7.487 3.768 4.885 1.00 0.00 C ATOM 423 CD GLU A 29 -6.935 4.674 5.966 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.765 4.490 6.355 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.665 5.561 6.441 1.00 0.00 O ATOM 0 H GLU A 29 -8.640 4.583 1.857 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.874 6.065 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.065 3.135 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.687 3.803 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.545 3.986 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.418 2.731 5.213 1.00 0.00 H new ATOM 432 N TRP A 30 -4.769 5.542 2.243 1.00 0.00 N ATOM 433 CA TRP A 30 -3.645 5.633 1.353 1.00 0.00 C ATOM 434 C TRP A 30 -2.442 5.056 2.047 1.00 0.00 C ATOM 435 O TRP A 30 -2.303 5.141 3.267 1.00 0.00 O ATOM 436 CB TRP A 30 -3.374 7.073 0.934 1.00 0.00 C ATOM 437 CG TRP A 30 -3.223 7.994 2.092 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.222 8.525 2.840 1.00 0.00 C ATOM 439 CD2 TRP A 30 -2.002 8.486 2.634 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.697 9.345 3.804 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.336 9.336 3.698 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.657 8.298 2.313 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.373 9.994 4.448 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.295 8.950 3.055 1.00 0.00 C ATOM 445 CH2 TRP A 30 -0.066 9.792 4.112 1.00 0.00 C ATOM 0 H TRP A 30 -4.518 5.578 3.231 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.865 5.072 0.445 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.468 7.106 0.330 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.191 7.422 0.303 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.275 8.330 2.697 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.235 9.876 4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.371 7.652 1.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.647 10.642 5.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.340 8.811 2.819 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.707 10.294 4.675 1.00 0.00 H new ATOM 456 N ARG A 31 -1.602 4.448 1.270 1.00 0.00 N ATOM 457 CA ARG A 31 -0.413 3.809 1.759 1.00 0.00 C ATOM 458 C ARG A 31 0.699 4.151 0.831 1.00 0.00 C ATOM 459 O ARG A 31 0.476 4.697 -0.247 1.00 0.00 O ATOM 460 CB ARG A 31 -0.563 2.296 1.840 1.00 0.00 C ATOM 461 CG ARG A 31 -1.776 1.840 2.615 1.00 0.00 C ATOM 462 CD ARG A 31 -1.911 0.337 2.558 1.00 0.00 C ATOM 463 NE ARG A 31 -3.185 -0.147 3.082 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.487 -0.266 4.371 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.638 0.147 5.305 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.644 -0.813 4.719 1.00 0.00 N ATOM 0 H ARG A 31 -1.722 4.378 0.259 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.214 4.163 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.617 1.892 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.330 1.877 2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.694 2.164 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.672 2.307 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.802 0.008 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.097 -0.116 3.124 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.900 -0.415 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.745 0.560 5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.879 0.051 6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.291 -1.137 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.886 -0.909 5.705 1.00 0.00 H new ATOM 480 N CYS A 32 1.878 3.787 1.214 1.00 0.00 N ATOM 481 CA CYS A 32 3.040 4.192 0.479 1.00 0.00 C ATOM 482 C CYS A 32 3.525 2.986 -0.257 1.00 0.00 C ATOM 483 O CYS A 32 3.634 1.910 0.317 1.00 0.00 O ATOM 484 CB CYS A 32 4.129 4.695 1.422 1.00 0.00 C ATOM 485 SG CYS A 32 3.524 5.231 3.041 1.00 0.00 S ATOM 0 H CYS A 32 2.067 3.209 2.033 1.00 0.00 H new ATOM 0 HA CYS A 32 2.796 5.006 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.863 3.902 1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.648 5.528 0.947 1.00 0.00 H new ATOM 0 HG CYS A 32 4.533 5.436 3.835 1.00 0.00 H new ATOM 491 N LEU A 33 3.718 3.192 -1.549 1.00 0.00 N ATOM 492 CA LEU A 33 4.043 2.142 -2.504 1.00 0.00 C ATOM 493 C LEU A 33 5.138 1.190 -2.018 1.00 0.00 C ATOM 494 O LEU A 33 5.768 1.414 -0.992 1.00 0.00 O ATOM 495 CB LEU A 33 4.435 2.804 -3.813 1.00 0.00 C ATOM 496 CG LEU A 33 3.355 2.780 -4.894 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.966 2.940 -4.282 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.608 3.888 -5.890 1.00 0.00 C ATOM 0 H LEU A 33 3.652 4.116 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 33 3.162 1.514 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.705 3.841 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.327 2.311 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 33 3.396 1.816 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.216 2.920 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.780 2.124 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.909 3.891 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.836 3.869 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.585 4.850 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.585 3.746 -6.352 1.00 0.00 H new ATOM 510 N LEU A 34 5.365 0.128 -2.768 1.00 0.00 N ATOM 511 CA LEU A 34 6.287 -0.910 -2.336 1.00 0.00 C ATOM 512 C LEU A 34 7.693 -0.365 -2.204 1.00 0.00 C ATOM 513 O LEU A 34 8.290 0.081 -3.177 1.00 0.00 O ATOM 514 CB LEU A 34 6.254 -2.087 -3.301 1.00 0.00 C ATOM 515 CG LEU A 34 4.893 -2.765 -3.409 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.986 -3.992 -4.282 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.372 -3.132 -2.033 1.00 0.00 C ATOM 0 H LEU A 34 4.928 -0.040 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 34 5.969 -1.260 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.555 -1.741 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.991 -2.824 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 34 4.193 -2.066 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.007 -4.465 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.320 -3.705 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.699 -4.694 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.400 -3.615 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.070 -3.815 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.271 -2.230 -1.430 1.00 0.00 H new ATOM 529 N GLY A 35 8.210 -0.398 -0.987 1.00 0.00 N ATOM 530 CA GLY A 35 9.510 0.175 -0.719 1.00 0.00 C ATOM 531 C GLY A 35 9.447 1.680 -0.567 1.00 0.00 C ATOM 532 O GLY A 35 10.428 2.379 -0.788 1.00 0.00 O ATOM 0 H GLY A 35 7.750 -0.813 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.919 -0.264 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.192 -0.079 -1.530 1.00 0.00 H new ATOM 536 N TYR A 36 8.271 2.175 -0.228 1.00 0.00 N ATOM 537 CA TYR A 36 8.053 3.587 0.013 1.00 0.00 C ATOM 538 C TYR A 36 7.767 3.853 1.489 1.00 0.00 C ATOM 539 O TYR A 36 7.616 2.921 2.283 1.00 0.00 O ATOM 540 CB TYR A 36 6.883 4.080 -0.828 1.00 0.00 C ATOM 541 CG TYR A 36 7.180 4.235 -2.302 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.666 3.181 -3.063 1.00 0.00 C ATOM 543 CD2 TYR A 36 6.964 5.446 -2.926 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.921 3.332 -4.411 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.213 5.613 -4.268 1.00 0.00 C ATOM 546 CZ TYR A 36 7.695 4.552 -5.012 1.00 0.00 C ATOM 547 OH TYR A 36 7.948 4.712 -6.355 1.00 0.00 O ATOM 0 H TYR A 36 7.435 1.603 -0.112 1.00 0.00 H new ATOM 0 HA TYR A 36 8.960 4.124 -0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.052 3.385 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.552 5.042 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.848 2.226 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.592 6.280 -2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.295 2.501 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.033 6.568 -4.739 1.00 0.00 H new ATOM 0 HH TYR A 36 7.735 5.631 -6.621 1.00 0.00 H new ATOM 557 N LYS A 37 7.689 5.129 1.851 1.00 0.00 N ATOM 558 CA LYS A 37 7.463 5.529 3.222 1.00 0.00 C ATOM 559 C LYS A 37 6.909 6.950 3.244 1.00 0.00 C ATOM 560 O LYS A 37 7.067 7.684 2.273 1.00 0.00 O ATOM 561 CB LYS A 37 8.793 5.478 3.960 1.00 0.00 C ATOM 562 CG LYS A 37 9.797 6.489 3.433 1.00 0.00 C ATOM 563 CD LYS A 37 11.059 6.511 4.276 1.00 0.00 C ATOM 564 CE LYS A 37 11.948 7.686 3.918 1.00 0.00 C ATOM 565 NZ LYS A 37 13.174 7.733 4.753 1.00 0.00 N ATOM 0 H LYS A 37 7.781 5.908 1.199 1.00 0.00 H new ATOM 0 HA LYS A 37 6.748 4.862 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.622 5.661 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.213 4.476 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.052 6.247 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.346 7.481 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.792 6.564 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.609 5.581 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.228 7.621 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.389 8.614 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.752 8.551 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.909 7.821 5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.721 6.859 4.616 1.00 0.00 H new ATOM 579 N LYS A 38 6.239 7.331 4.323 1.00 0.00 N ATOM 580 CA LYS A 38 5.799 8.709 4.482 1.00 0.00 C ATOM 581 C LYS A 38 6.987 9.624 4.742 1.00 0.00 C ATOM 582 O LYS A 38 7.729 9.432 5.705 1.00 0.00 O ATOM 583 CB LYS A 38 4.792 8.834 5.606 1.00 0.00 C ATOM 584 CG LYS A 38 3.545 8.010 5.375 1.00 0.00 C ATOM 585 CD LYS A 38 2.384 8.610 6.114 1.00 0.00 C ATOM 586 CE LYS A 38 1.270 7.603 6.363 1.00 0.00 C ATOM 587 NZ LYS A 38 1.694 6.490 7.254 1.00 0.00 N ATOM 0 H LYS A 38 5.990 6.711 5.094 1.00 0.00 H new ATOM 0 HA LYS A 38 5.316 9.013 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.258 8.523 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.513 9.881 5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.323 7.964 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.709 6.986 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.731 9.007 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.989 9.451 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.416 8.114 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.936 7.193 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.856 6.055 7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.205 5.775 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.318 6.860 7.999 1.00 0.00 H new ATOM 601 N GLY A 39 7.167 10.615 3.878 1.00 0.00 N ATOM 602 CA GLY A 39 8.320 11.487 3.986 1.00 0.00 C ATOM 603 C GLY A 39 7.957 12.955 4.006 1.00 0.00 C ATOM 604 O GLY A 39 8.409 13.706 4.869 1.00 0.00 O ATOM 0 H GLY A 39 6.536 10.830 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.868 11.243 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.991 11.297 3.148 1.00 0.00 H new ATOM 608 N GLU A 40 7.130 13.360 3.055 1.00 0.00 N ATOM 609 CA GLU A 40 6.769 14.764 2.892 1.00 0.00 C ATOM 610 C GLU A 40 5.971 15.268 4.093 1.00 0.00 C ATOM 611 O GLU A 40 6.348 16.235 4.751 1.00 0.00 O ATOM 612 CB GLU A 40 5.932 14.947 1.625 1.00 0.00 C ATOM 613 CG GLU A 40 6.432 14.156 0.429 1.00 0.00 C ATOM 614 CD GLU A 40 7.738 14.698 -0.112 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.806 14.341 0.424 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.696 15.495 -1.073 1.00 0.00 O ATOM 0 H GLU A 40 6.693 12.734 2.379 1.00 0.00 H new ATOM 0 HA GLU A 40 7.691 15.339 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.904 14.653 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.914 16.005 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.565 13.113 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.678 14.177 -0.358 1.00 0.00 H new ATOM 623 N GLY A 41 4.872 14.586 4.364 1.00 0.00 N ATOM 624 CA GLY A 41 3.954 14.992 5.406 1.00 0.00 C ATOM 625 C GLY A 41 2.541 14.694 4.970 1.00 0.00 C ATOM 626 O GLY A 41 1.932 15.487 4.250 1.00 0.00 O ATOM 0 H GLY A 41 4.594 13.739 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.180 14.463 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.067 16.057 5.611 1.00 0.00 H new ATOM 630 N ASN A 42 2.022 13.544 5.400 1.00 0.00 N ATOM 631 CA ASN A 42 0.841 12.956 4.781 1.00 0.00 C ATOM 632 C ASN A 42 1.119 12.754 3.304 1.00 0.00 C ATOM 633 O ASN A 42 0.492 13.376 2.446 1.00 0.00 O ATOM 634 CB ASN A 42 -0.399 13.828 4.972 1.00 0.00 C ATOM 635 CG ASN A 42 -1.013 13.685 6.351 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.316 13.430 7.335 1.00 0.00 O ATOM 637 ND2 ASN A 42 -2.325 13.844 6.432 1.00 0.00 N ATOM 0 H ASN A 42 2.404 13.003 6.176 1.00 0.00 H new ATOM 0 HA ASN A 42 0.634 12.001 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.133 14.872 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.142 13.564 4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.795 13.756 7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.866 14.054 5.593 1.00 0.00 H new ATOM 644 N THR A 43 2.106 11.915 3.015 1.00 0.00 N ATOM 645 CA THR A 43 2.580 11.708 1.656 1.00 0.00 C ATOM 646 C THR A 43 3.489 10.495 1.628 1.00 0.00 C ATOM 647 O THR A 43 3.804 9.940 2.679 1.00 0.00 O ATOM 648 CB THR A 43 3.373 12.915 1.135 1.00 0.00 C ATOM 649 OG1 THR A 43 3.078 14.089 1.901 1.00 0.00 O ATOM 650 CG2 THR A 43 3.049 13.176 -0.320 1.00 0.00 C ATOM 0 H THR A 43 2.598 11.361 3.716 1.00 0.00 H new ATOM 0 HA THR A 43 1.707 11.566 1.019 1.00 0.00 H new ATOM 0 HB THR A 43 4.433 12.682 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.999 14.860 1.301 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.620 14.035 -0.672 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.309 12.300 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.984 13.382 -0.424 1.00 0.00 H new ATOM 658 N CYS A 44 3.925 10.095 0.447 1.00 0.00 N ATOM 659 CA CYS A 44 4.785 8.935 0.323 1.00 0.00 C ATOM 660 C CYS A 44 5.965 9.231 -0.588 1.00 0.00 C ATOM 661 O CYS A 44 5.871 10.067 -1.487 1.00 0.00 O ATOM 662 CB CYS A 44 3.971 7.761 -0.202 1.00 0.00 C ATOM 663 SG CYS A 44 2.496 7.416 0.784 1.00 0.00 S ATOM 0 H CYS A 44 3.698 10.554 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 44 5.187 8.680 1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.673 7.966 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.601 6.872 -0.224 1.00 0.00 H new ATOM 0 HG CYS A 44 2.836 6.782 1.867 1.00 0.00 H new ATOM 669 N VAL A 45 7.075 8.557 -0.324 1.00 0.00 N ATOM 670 CA VAL A 45 8.311 8.725 -1.068 1.00 0.00 C ATOM 671 C VAL A 45 9.071 7.410 -1.092 1.00 0.00 C ATOM 672 O VAL A 45 8.779 6.507 -0.308 1.00 0.00 O ATOM 673 CB VAL A 45 9.228 9.794 -0.439 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.643 11.190 -0.596 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.493 9.486 1.030 1.00 0.00 C ATOM 0 H VAL A 45 7.141 7.868 0.425 1.00 0.00 H new ATOM 0 HA VAL A 45 8.040 9.046 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 45 10.178 9.768 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.314 11.919 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.523 11.417 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.672 11.235 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.142 10.254 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.549 9.470 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.978 8.514 1.116 1.00 0.00 H new ATOM 685 N GLU A 46 10.049 7.317 -1.974 1.00 0.00 N ATOM 686 CA GLU A 46 10.838 6.105 -2.132 1.00 0.00 C ATOM 687 C GLU A 46 11.746 5.867 -0.929 1.00 0.00 C ATOM 688 O GLU A 46 12.745 6.560 -0.738 1.00 0.00 O ATOM 689 CB GLU A 46 11.665 6.192 -3.411 1.00 0.00 C ATOM 690 CG GLU A 46 11.281 5.158 -4.457 1.00 0.00 C ATOM 691 CD GLU A 46 11.945 5.401 -5.794 1.00 0.00 C ATOM 692 OE1 GLU A 46 11.634 6.423 -6.440 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.761 4.563 -6.223 1.00 0.00 O ATOM 0 H GLU A 46 10.320 8.075 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 46 10.153 5.260 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.553 7.188 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.719 6.069 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.552 4.166 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.199 5.165 -4.588 1.00 0.00 H new ATOM 700 N ASN A 47 11.380 4.883 -0.125 1.00 0.00 N ATOM 701 CA ASN A 47 12.171 4.478 1.028 1.00 0.00 C ATOM 702 C ASN A 47 13.268 3.524 0.572 1.00 0.00 C ATOM 703 O ASN A 47 13.007 2.367 0.251 1.00 0.00 O ATOM 704 CB ASN A 47 11.267 3.821 2.076 1.00 0.00 C ATOM 705 CG ASN A 47 12.022 3.341 3.303 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.125 3.803 3.596 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.405 2.446 4.056 1.00 0.00 N ATOM 0 H ASN A 47 10.525 4.341 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 47 12.636 5.351 1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.502 4.534 2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.750 2.975 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.843 2.114 4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.491 2.088 3.778 1.00 0.00 H new ATOM 714 N ASN A 48 14.499 4.017 0.547 1.00 0.00 N ATOM 715 CA ASN A 48 15.606 3.315 -0.076 1.00 0.00 C ATOM 716 C ASN A 48 16.007 2.041 0.668 1.00 0.00 C ATOM 717 O ASN A 48 16.813 1.257 0.171 1.00 0.00 O ATOM 718 CB ASN A 48 16.800 4.255 -0.180 1.00 0.00 C ATOM 719 CG ASN A 48 16.695 5.244 -1.335 1.00 0.00 C ATOM 720 OD1 ASN A 48 17.702 5.593 -1.954 1.00 0.00 O ATOM 721 ND2 ASN A 48 15.491 5.717 -1.623 1.00 0.00 N ATOM 0 H ASN A 48 14.755 4.914 0.959 1.00 0.00 H new ATOM 0 HA ASN A 48 15.275 3.002 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.900 4.808 0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.708 3.664 -0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.376 6.393 -2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.680 5.405 -1.089 1.00 0.00 H new ATOM 728 N ASN A 49 15.411 1.808 1.820 1.00 0.00 N ATOM 729 CA ASN A 49 15.781 0.684 2.662 1.00 0.00 C ATOM 730 C ASN A 49 14.562 0.230 3.439 1.00 0.00 C ATOM 731 O ASN A 49 14.443 0.465 4.640 1.00 0.00 O ATOM 732 CB ASN A 49 16.906 1.070 3.619 1.00 0.00 C ATOM 733 CG ASN A 49 17.487 -0.133 4.344 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.518 -1.243 3.809 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.952 0.078 5.565 1.00 0.00 N ATOM 0 H ASN A 49 14.661 2.387 2.199 1.00 0.00 H new ATOM 0 HA ASN A 49 16.142 -0.131 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.697 1.572 3.062 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.528 1.784 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.354 -0.693 6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.908 1.012 5.973 1.00 0.00 H new ATOM 742 N PRO A 50 13.629 -0.414 2.745 1.00 0.00 N ATOM 743 CA PRO A 50 12.345 -0.775 3.299 1.00 0.00 C ATOM 744 C PRO A 50 12.368 -2.102 4.046 1.00 0.00 C ATOM 745 O PRO A 50 12.968 -3.084 3.603 1.00 0.00 O ATOM 746 CB PRO A 50 11.441 -0.850 2.068 1.00 0.00 C ATOM 747 CG PRO A 50 12.343 -0.875 0.873 1.00 0.00 C ATOM 748 CD PRO A 50 13.753 -0.861 1.364 1.00 0.00 C ATOM 0 HA PRO A 50 12.010 -0.057 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.816 -1.743 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.769 0.008 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.157 -1.765 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.153 -0.013 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.209 -1.849 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.375 -0.185 0.778 1.00 0.00 H new ATOM 756 N THR A 51 11.730 -2.097 5.196 1.00 0.00 N ATOM 757 CA THR A 51 11.619 -3.266 6.041 1.00 0.00 C ATOM 758 C THR A 51 10.150 -3.582 6.268 1.00 0.00 C ATOM 759 O THR A 51 9.301 -2.694 6.186 1.00 0.00 O ATOM 760 CB THR A 51 12.322 -3.058 7.402 1.00 0.00 C ATOM 761 OG1 THR A 51 12.263 -4.264 8.181 1.00 0.00 O ATOM 762 CG2 THR A 51 11.674 -1.924 8.178 1.00 0.00 C ATOM 0 H THR A 51 11.268 -1.271 5.575 1.00 0.00 H new ATOM 0 HA THR A 51 12.111 -4.097 5.537 1.00 0.00 H new ATOM 0 HB THR A 51 13.363 -2.801 7.207 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.361 -4.372 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.186 -1.797 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.746 -1.001 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.625 -2.159 8.358 1.00 0.00 H new ATOM 770 N CYS A 52 9.840 -4.835 6.541 1.00 0.00 N ATOM 771 CA CYS A 52 8.489 -5.190 6.932 1.00 0.00 C ATOM 772 C CYS A 52 8.313 -4.806 8.401 1.00 0.00 C ATOM 773 O CYS A 52 9.275 -4.347 9.025 1.00 0.00 O ATOM 774 CB CYS A 52 8.255 -6.693 6.721 1.00 0.00 C ATOM 775 SG CYS A 52 6.601 -7.274 7.173 1.00 0.00 S ATOM 0 H CYS A 52 10.496 -5.615 6.500 1.00 0.00 H new ATOM 0 HA CYS A 52 7.758 -4.659 6.322 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.434 -6.931 5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.991 -7.246 7.304 1.00 0.00 H new ATOM 0 HG CYS A 52 5.710 -6.448 6.711 1.00 0.00 H new ATOM 781 N ASP A 53 7.089 -4.939 8.923 1.00 0.00 N ATOM 782 CA ASP A 53 6.731 -4.477 10.279 1.00 0.00 C ATOM 783 C ASP A 53 6.474 -2.972 10.298 1.00 0.00 C ATOM 784 O ASP A 53 5.634 -2.479 11.052 1.00 0.00 O ATOM 785 CB ASP A 53 7.804 -4.828 11.319 1.00 0.00 C ATOM 786 CG ASP A 53 7.825 -6.299 11.675 1.00 0.00 C ATOM 787 OD1 ASP A 53 7.038 -6.709 12.557 1.00 0.00 O ATOM 788 OD2 ASP A 53 8.633 -7.049 11.091 1.00 0.00 O ATOM 0 H ASP A 53 6.313 -5.370 8.420 1.00 0.00 H new ATOM 0 HA ASP A 53 5.815 -5.003 10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.782 -4.539 10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.631 -4.244 12.223 1.00 0.00 H new ATOM 793 N ILE A 54 7.198 -2.247 9.462 1.00 0.00 N ATOM 794 CA ILE A 54 7.046 -0.805 9.353 1.00 0.00 C ATOM 795 C ILE A 54 6.484 -0.453 7.993 1.00 0.00 C ATOM 796 O ILE A 54 7.167 -0.594 6.975 1.00 0.00 O ATOM 797 CB ILE A 54 8.393 -0.092 9.581 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.952 -0.483 10.954 1.00 0.00 C ATOM 799 CG2 ILE A 54 8.229 1.420 9.470 1.00 0.00 C ATOM 800 CD1 ILE A 54 10.369 -0.025 11.202 1.00 0.00 C ATOM 0 H ILE A 54 7.906 -2.639 8.841 1.00 0.00 H new ATOM 0 HA ILE A 54 6.353 -0.467 10.124 1.00 0.00 H new ATOM 0 HB ILE A 54 9.098 -0.405 8.810 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.307 -0.066 11.728 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.910 -1.568 11.055 1.00 0.00 H new ATOM 0 HG21 ILE A 54 9.192 1.903 9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.860 1.674 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.517 1.765 10.220 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.686 -0.343 12.195 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.029 -0.463 10.453 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.417 1.062 11.137 1.00 0.00 H new ATOM 812 N ASN A 55 5.213 -0.051 7.985 1.00 0.00 N ATOM 813 CA ASN A 55 4.495 0.263 6.753 1.00 0.00 C ATOM 814 C ASN A 55 4.348 -0.995 5.912 1.00 0.00 C ATOM 815 O ASN A 55 3.988 -0.941 4.736 1.00 0.00 O ATOM 816 CB ASN A 55 5.240 1.347 5.977 1.00 0.00 C ATOM 817 CG ASN A 55 4.418 1.948 4.852 1.00 0.00 C ATOM 818 OD1 ASN A 55 3.191 2.012 4.922 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.094 2.398 3.808 1.00 0.00 N ATOM 0 H ASN A 55 4.655 0.065 8.831 1.00 0.00 H new ATOM 0 HA ASN A 55 3.501 0.638 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.536 2.139 6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.156 0.925 5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.598 2.817 3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.111 2.326 3.789 1.00 0.00 H new ATOM 826 N ASN A 56 4.629 -2.133 6.547 1.00 0.00 N ATOM 827 CA ASN A 56 4.682 -3.424 5.877 1.00 0.00 C ATOM 828 C ASN A 56 5.646 -3.360 4.684 1.00 0.00 C ATOM 829 O ASN A 56 5.503 -4.094 3.722 1.00 0.00 O ATOM 830 CB ASN A 56 3.274 -3.842 5.424 1.00 0.00 C ATOM 831 CG ASN A 56 3.088 -5.349 5.339 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.670 -6.103 6.121 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.293 -5.797 4.375 1.00 0.00 N ATOM 0 H ASN A 56 4.827 -2.181 7.546 1.00 0.00 H new ATOM 0 HA ASN A 56 5.053 -4.174 6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.541 -3.432 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.069 -3.403 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.145 -6.800 4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.830 -5.139 3.749 1.00 0.00 H new ATOM 840 N GLY A 57 6.636 -2.469 4.765 1.00 0.00 N ATOM 841 CA GLY A 57 7.581 -2.278 3.677 1.00 0.00 C ATOM 842 C GLY A 57 6.957 -1.585 2.483 1.00 0.00 C ATOM 843 O GLY A 57 7.456 -1.682 1.365 1.00 0.00 O ATOM 0 H GLY A 57 6.799 -1.871 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.427 -1.690 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.974 -3.246 3.367 1.00 0.00 H new ATOM 847 N GLY A 58 5.863 -0.884 2.723 1.00 0.00 N ATOM 848 CA GLY A 58 5.147 -0.224 1.660 1.00 0.00 C ATOM 849 C GLY A 58 4.041 -1.108 1.134 1.00 0.00 C ATOM 850 O GLY A 58 3.595 -0.976 0.004 1.00 0.00 O ATOM 0 H GLY A 58 5.455 -0.760 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.728 0.714 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.835 0.027 0.852 1.00 0.00 H new ATOM 854 N CYS A 59 3.615 -2.018 1.984 1.00 0.00 N ATOM 855 CA CYS A 59 2.643 -3.038 1.635 1.00 0.00 C ATOM 856 C CYS A 59 1.371 -2.891 2.466 1.00 0.00 C ATOM 857 O CYS A 59 1.285 -2.030 3.345 1.00 0.00 O ATOM 858 CB CYS A 59 3.266 -4.392 1.874 1.00 0.00 C ATOM 859 SG CYS A 59 4.713 -4.727 0.850 1.00 0.00 S ATOM 0 H CYS A 59 3.937 -2.073 2.950 1.00 0.00 H new ATOM 0 HA CYS A 59 2.366 -2.929 0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.551 -4.469 2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.517 -5.162 1.690 1.00 0.00 H new ATOM 0 HG CYS A 59 5.395 -5.705 1.369 1.00 0.00 H new ATOM 865 N ASP A 60 0.397 -3.742 2.187 1.00 0.00 N ATOM 866 CA ASP A 60 -0.875 -3.729 2.906 1.00 0.00 C ATOM 867 C ASP A 60 -0.874 -4.838 3.943 1.00 0.00 C ATOM 868 O ASP A 60 -0.423 -5.935 3.660 1.00 0.00 O ATOM 869 CB ASP A 60 -2.033 -3.974 1.935 1.00 0.00 C ATOM 870 CG ASP A 60 -3.399 -3.730 2.565 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.798 -4.519 3.449 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.080 -2.756 2.170 1.00 0.00 O ATOM 0 H ASP A 60 0.460 -4.457 1.463 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.999 -2.758 3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.917 -3.323 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.985 -5.001 1.572 1.00 0.00 H new ATOM 877 N PRO A 61 -1.351 -4.544 5.172 1.00 0.00 N ATOM 878 CA PRO A 61 -1.415 -5.513 6.272 1.00 0.00 C ATOM 879 C PRO A 61 -2.093 -6.834 5.896 1.00 0.00 C ATOM 880 O PRO A 61 -1.817 -7.868 6.508 1.00 0.00 O ATOM 881 CB PRO A 61 -2.241 -4.787 7.331 1.00 0.00 C ATOM 882 CG PRO A 61 -2.037 -3.349 7.069 1.00 0.00 C ATOM 883 CD PRO A 61 -1.840 -3.219 5.594 1.00 0.00 C ATOM 0 HA PRO A 61 -0.415 -5.804 6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.295 -5.054 7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.913 -5.054 8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.897 -2.767 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.170 -2.973 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.771 -2.960 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.120 -2.436 5.357 1.00 0.00 H new ATOM 891 N THR A 62 -2.992 -6.797 4.914 1.00 0.00 N ATOM 892 CA THR A 62 -3.653 -8.014 4.449 1.00 0.00 C ATOM 893 C THR A 62 -2.730 -8.811 3.533 1.00 0.00 C ATOM 894 O THR A 62 -2.849 -10.033 3.415 1.00 0.00 O ATOM 895 CB THR A 62 -4.967 -7.712 3.701 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.746 -6.742 2.673 1.00 0.00 O ATOM 897 CG2 THR A 62 -6.040 -7.216 4.654 1.00 0.00 C ATOM 0 H THR A 62 -3.277 -5.946 4.429 1.00 0.00 H new ATOM 0 HA THR A 62 -3.891 -8.600 5.337 1.00 0.00 H new ATOM 0 HB THR A 62 -5.312 -8.642 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.572 -7.199 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.955 -7.011 4.097 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.237 -7.978 5.408 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.700 -6.302 5.141 1.00 0.00 H new ATOM 905 N ALA A 63 -1.821 -8.098 2.887 1.00 0.00 N ATOM 906 CA ALA A 63 -0.845 -8.684 2.014 1.00 0.00 C ATOM 907 C ALA A 63 0.414 -9.061 2.802 1.00 0.00 C ATOM 908 O ALA A 63 0.927 -8.275 3.599 1.00 0.00 O ATOM 909 CB ALA A 63 -0.543 -7.687 0.902 1.00 0.00 C ATOM 0 H ALA A 63 -1.749 -7.083 2.963 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.227 -9.604 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.198 -8.111 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.457 -7.470 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.153 -6.766 1.335 1.00 0.00 H new ATOM 915 N SER A 64 0.892 -10.277 2.598 1.00 0.00 N ATOM 916 CA SER A 64 2.066 -10.770 3.306 1.00 0.00 C ATOM 917 C SER A 64 3.335 -10.139 2.735 1.00 0.00 C ATOM 918 O SER A 64 3.734 -10.435 1.609 1.00 0.00 O ATOM 919 CB SER A 64 2.137 -12.298 3.202 1.00 0.00 C ATOM 920 OG SER A 64 3.084 -12.838 4.112 1.00 0.00 O ATOM 0 H SER A 64 0.484 -10.946 1.945 1.00 0.00 H new ATOM 0 HA SER A 64 1.986 -10.492 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.154 -12.724 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.405 -12.582 2.185 1.00 0.00 H new ATOM 0 HG SER A 64 3.104 -13.814 4.022 1.00 0.00 H new ATOM 926 N CYS A 65 3.946 -9.251 3.506 1.00 0.00 N ATOM 927 CA CYS A 65 5.158 -8.570 3.079 1.00 0.00 C ATOM 928 C CYS A 65 6.390 -9.447 3.232 1.00 0.00 C ATOM 929 O CYS A 65 6.551 -10.161 4.223 1.00 0.00 O ATOM 930 CB CYS A 65 5.356 -7.291 3.879 1.00 0.00 C ATOM 931 SG CYS A 65 6.964 -6.510 3.642 1.00 0.00 S ATOM 0 H CYS A 65 3.620 -8.985 4.435 1.00 0.00 H new ATOM 0 HA CYS A 65 5.035 -8.335 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.576 -6.581 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.226 -7.515 4.938 1.00 0.00 H new ATOM 0 HG CYS A 65 6.806 -5.228 3.496 1.00 0.00 H new ATOM 937 N GLN A 66 7.248 -9.377 2.234 1.00 0.00 N ATOM 938 CA GLN A 66 8.539 -10.021 2.275 1.00 0.00 C ATOM 939 C GLN A 66 9.629 -8.950 2.305 1.00 0.00 C ATOM 940 O GLN A 66 9.813 -8.220 1.331 1.00 0.00 O ATOM 941 CB GLN A 66 8.697 -10.920 1.046 1.00 0.00 C ATOM 942 CG GLN A 66 7.490 -11.814 0.810 1.00 0.00 C ATOM 943 CD GLN A 66 7.673 -12.805 -0.326 1.00 0.00 C ATOM 944 OE1 GLN A 66 7.086 -13.886 -0.317 1.00 0.00 O ATOM 945 NE2 GLN A 66 8.485 -12.450 -1.308 1.00 0.00 N ATOM 0 H GLN A 66 7.065 -8.868 1.369 1.00 0.00 H new ATOM 0 HA GLN A 66 8.625 -10.638 3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.861 -10.298 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.585 -11.541 1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.271 -12.362 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.623 -11.189 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.954 -11.545 -1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.642 -13.082 -2.093 1.00 0.00 H new ATOM 954 N ASN A 67 10.324 -8.846 3.430 1.00 0.00 N ATOM 955 CA ASN A 67 11.382 -7.882 3.609 1.00 0.00 C ATOM 956 C ASN A 67 12.651 -8.323 2.883 1.00 0.00 C ATOM 957 O ASN A 67 13.042 -9.491 2.951 1.00 0.00 O ATOM 958 CB ASN A 67 11.654 -7.700 5.104 1.00 0.00 C ATOM 959 CG ASN A 67 11.543 -8.983 5.915 1.00 0.00 C ATOM 960 OD1 ASN A 67 11.782 -10.081 5.415 1.00 0.00 O ATOM 961 ND2 ASN A 67 11.189 -8.850 7.184 1.00 0.00 N ATOM 0 H ASN A 67 10.162 -9.437 4.246 1.00 0.00 H new ATOM 0 HA ASN A 67 11.069 -6.930 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.654 -7.286 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.952 -6.968 5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.107 -9.674 7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.998 -7.924 7.566 1.00 0.00 H new ATOM 968 N ALA A 68 13.288 -7.389 2.186 1.00 0.00 N ATOM 969 CA ALA A 68 14.491 -7.698 1.425 1.00 0.00 C ATOM 970 C ALA A 68 15.235 -6.428 1.053 1.00 0.00 C ATOM 971 O ALA A 68 14.707 -5.325 1.191 1.00 0.00 O ATOM 972 CB ALA A 68 14.141 -8.481 0.170 1.00 0.00 C ATOM 0 H ALA A 68 12.992 -6.414 2.133 1.00 0.00 H new ATOM 0 HA ALA A 68 15.139 -8.309 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.052 -8.703 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.649 -9.413 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.471 -7.889 -0.453 1.00 0.00 H new ATOM 978 N GLU A 69 16.473 -6.590 0.621 1.00 0.00 N ATOM 979 CA GLU A 69 17.264 -5.487 0.111 1.00 0.00 C ATOM 980 C GLU A 69 17.375 -5.602 -1.410 1.00 0.00 C ATOM 981 O GLU A 69 17.275 -6.697 -1.961 1.00 0.00 O ATOM 982 CB GLU A 69 18.644 -5.494 0.759 1.00 0.00 C ATOM 983 CG GLU A 69 19.481 -4.276 0.425 1.00 0.00 C ATOM 984 CD GLU A 69 20.823 -4.295 1.118 1.00 0.00 C ATOM 985 OE1 GLU A 69 20.912 -3.809 2.264 1.00 0.00 O ATOM 986 OE2 GLU A 69 21.791 -4.806 0.525 1.00 0.00 O ATOM 0 H GLU A 69 16.956 -7.488 0.614 1.00 0.00 H new ATOM 0 HA GLU A 69 16.778 -4.542 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.527 -5.558 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.179 -6.389 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.632 -4.226 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.939 -3.375 0.713 1.00 0.00 H new ATOM 993 N SER A 70 17.562 -4.473 -2.082 1.00 0.00 N ATOM 994 CA SER A 70 17.598 -4.432 -3.540 1.00 0.00 C ATOM 995 C SER A 70 18.208 -3.115 -3.994 1.00 0.00 C ATOM 996 O SER A 70 18.296 -2.176 -3.205 1.00 0.00 O ATOM 997 CB SER A 70 16.179 -4.554 -4.104 1.00 0.00 C ATOM 998 OG SER A 70 16.186 -4.784 -5.503 1.00 0.00 O ATOM 0 H SER A 70 17.692 -3.565 -1.636 1.00 0.00 H new ATOM 0 HA SER A 70 18.201 -5.264 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.658 -5.371 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.623 -3.642 -3.888 1.00 0.00 H new ATOM 0 HG SER A 70 15.264 -4.858 -5.827 1.00 0.00 H new ATOM 1004 N THR A 71 18.608 -3.036 -5.255 1.00 0.00 N ATOM 1005 CA THR A 71 19.067 -1.779 -5.826 1.00 0.00 C ATOM 1006 C THR A 71 17.879 -0.847 -6.043 1.00 0.00 C ATOM 1007 O THR A 71 18.018 0.375 -6.068 1.00 0.00 O ATOM 1008 CB THR A 71 19.805 -2.007 -7.159 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.041 -2.884 -7.999 1.00 0.00 O ATOM 1010 CG2 THR A 71 21.187 -2.596 -6.921 1.00 0.00 C ATOM 0 H THR A 71 18.624 -3.826 -5.900 1.00 0.00 H new ATOM 0 HA THR A 71 19.767 -1.323 -5.126 1.00 0.00 H new ATOM 0 HB THR A 71 19.922 -1.043 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.516 -3.023 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.688 -2.748 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.774 -1.911 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 71 21.091 -3.552 -6.406 1.00 0.00 H new ATOM 1018 N GLU A 72 16.702 -1.445 -6.162 1.00 0.00 N ATOM 1019 CA GLU A 72 15.468 -0.702 -6.351 1.00 0.00 C ATOM 1020 C GLU A 72 14.665 -0.745 -5.079 1.00 0.00 C ATOM 1021 O GLU A 72 14.191 -1.808 -4.704 1.00 0.00 O ATOM 1022 CB GLU A 72 14.612 -1.336 -7.431 1.00 0.00 C ATOM 1023 CG GLU A 72 15.218 -1.350 -8.812 1.00 0.00 C ATOM 1024 CD GLU A 72 15.112 -0.020 -9.520 1.00 0.00 C ATOM 1025 OE1 GLU A 72 14.056 0.245 -10.125 1.00 0.00 O ATOM 1026 OE2 GLU A 72 16.080 0.760 -9.489 1.00 0.00 O ATOM 0 H GLU A 72 16.578 -2.457 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 72 15.732 0.318 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.391 -2.363 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.661 -0.805 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.268 -1.633 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.723 -2.114 -9.411 1.00 0.00 H new ATOM 1033 N ASN A 73 14.529 0.400 -4.420 1.00 0.00 N ATOM 1034 CA ASN A 73 13.702 0.548 -3.219 1.00 0.00 C ATOM 1035 C ASN A 73 12.345 -0.118 -3.403 1.00 0.00 C ATOM 1036 O ASN A 73 11.773 -0.639 -2.453 1.00 0.00 O ATOM 1037 CB ASN A 73 13.465 2.033 -2.907 1.00 0.00 C ATOM 1038 CG ASN A 73 14.613 2.946 -3.324 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.387 4.043 -3.824 1.00 0.00 O ATOM 1040 ND2 ASN A 73 15.851 2.540 -3.073 1.00 0.00 N ATOM 0 H ASN A 73 14.993 1.263 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 73 14.238 0.071 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.555 2.358 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.295 2.146 -1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.641 3.145 -3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.012 1.623 -2.657 1.00 0.00 H new ATOM 1047 N SER A 74 11.864 -0.137 -4.630 1.00 0.00 N ATOM 1048 CA SER A 74 10.536 -0.639 -4.911 1.00 0.00 C ATOM 1049 C SER A 74 10.572 -2.066 -5.478 1.00 0.00 C ATOM 1050 O SER A 74 9.559 -2.581 -5.949 1.00 0.00 O ATOM 1051 CB SER A 74 9.832 0.314 -5.883 1.00 0.00 C ATOM 1052 OG SER A 74 8.429 0.112 -5.886 1.00 0.00 O ATOM 0 H SER A 74 12.375 0.191 -5.450 1.00 0.00 H new ATOM 0 HA SER A 74 9.979 -0.685 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.051 1.345 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.224 0.164 -6.889 1.00 0.00 H new ATOM 0 HG SER A 74 8.104 0.060 -4.963 1.00 0.00 H new ATOM 1058 N LYS A 75 11.737 -2.708 -5.429 1.00 0.00 N ATOM 1059 CA LYS A 75 11.868 -4.074 -5.934 1.00 0.00 C ATOM 1060 C LYS A 75 12.423 -5.025 -4.875 1.00 0.00 C ATOM 1061 O LYS A 75 12.709 -6.184 -5.175 1.00 0.00 O ATOM 1062 CB LYS A 75 12.757 -4.128 -7.177 1.00 0.00 C ATOM 1063 CG LYS A 75 12.196 -3.377 -8.374 1.00 0.00 C ATOM 1064 CD LYS A 75 12.822 -3.854 -9.666 1.00 0.00 C ATOM 1065 CE LYS A 75 12.202 -3.181 -10.880 1.00 0.00 C ATOM 1066 NZ LYS A 75 12.265 -1.697 -10.803 1.00 0.00 N ATOM 0 H LYS A 75 12.596 -2.310 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 75 10.862 -4.399 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.735 -3.716 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.911 -5.171 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.116 -3.515 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.376 -2.309 -8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.893 -3.652 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.703 -4.934 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.717 -3.517 -11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.162 -3.493 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.971 -1.289 -11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.629 -1.361 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.239 -1.401 -10.590 1.00 0.00 H new ATOM 1080 N LYS A 76 12.594 -4.550 -3.643 1.00 0.00 N ATOM 1081 CA LYS A 76 13.067 -5.432 -2.581 1.00 0.00 C ATOM 1082 C LYS A 76 11.914 -5.913 -1.716 1.00 0.00 C ATOM 1083 O LYS A 76 11.933 -7.036 -1.229 1.00 0.00 O ATOM 1084 CB LYS A 76 14.153 -4.789 -1.706 1.00 0.00 C ATOM 1085 CG LYS A 76 13.819 -3.424 -1.149 1.00 0.00 C ATOM 1086 CD LYS A 76 14.337 -2.327 -2.036 1.00 0.00 C ATOM 1087 CE LYS A 76 15.485 -1.546 -1.415 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.247 -0.740 -2.403 1.00 0.00 N ATOM 0 H LYS A 76 12.418 -3.586 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 76 13.522 -6.288 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.367 -5.459 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.067 -4.708 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.739 -3.328 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.248 -3.321 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.669 -2.758 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.522 -1.641 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.091 -0.885 -0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.164 -2.241 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.864 -0.070 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.827 -1.371 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.584 -0.214 -3.008 1.00 0.00 H new ATOM 1102 N ILE A 77 10.910 -5.074 -1.522 1.00 0.00 N ATOM 1103 CA ILE A 77 9.742 -5.508 -0.784 1.00 0.00 C ATOM 1104 C ILE A 77 8.726 -6.109 -1.732 1.00 0.00 C ATOM 1105 O ILE A 77 8.451 -5.575 -2.807 1.00 0.00 O ATOM 1106 CB ILE A 77 9.069 -4.387 0.031 1.00 0.00 C ATOM 1107 CG1 ILE A 77 10.073 -3.714 0.955 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.917 -4.934 0.855 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.647 -4.646 2.002 1.00 0.00 C ATOM 0 H ILE A 77 10.881 -4.111 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 77 10.097 -6.250 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 77 8.684 -3.652 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.888 -3.305 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.590 -2.873 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.458 -4.124 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.175 -5.379 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.290 -5.692 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.355 -4.100 2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.841 -5.035 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.159 -5.474 1.511 1.00 0.00 H new ATOM 1121 N ILE A 78 8.189 -7.222 -1.314 1.00 0.00 N ATOM 1122 CA ILE A 78 7.201 -7.959 -2.082 1.00 0.00 C ATOM 1123 C ILE A 78 6.003 -8.215 -1.195 1.00 0.00 C ATOM 1124 O ILE A 78 6.164 -8.406 0.008 1.00 0.00 O ATOM 1125 CB ILE A 78 7.751 -9.316 -2.609 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.800 -9.106 -3.701 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.631 -10.207 -3.128 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.180 -8.814 -3.166 1.00 0.00 C ATOM 0 H ILE A 78 8.422 -7.655 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 78 6.930 -7.361 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 78 8.226 -9.816 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.843 -9.997 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.486 -8.282 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.051 -11.146 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.925 -10.410 -2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.114 -9.703 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.871 -8.677 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.152 -7.906 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.515 -9.648 -2.550 1.00 0.00 H new ATOM 1140 N CYS A 79 4.810 -8.201 -1.755 1.00 0.00 N ATOM 1141 CA CYS A 79 3.644 -8.508 -0.958 1.00 0.00 C ATOM 1142 C CYS A 79 2.772 -9.564 -1.599 1.00 0.00 C ATOM 1143 O CYS A 79 2.636 -9.641 -2.821 1.00 0.00 O ATOM 1144 CB CYS A 79 2.825 -7.265 -0.628 1.00 0.00 C ATOM 1145 SG CYS A 79 2.522 -7.129 1.136 1.00 0.00 S ATOM 0 H CYS A 79 4.626 -7.986 -2.735 1.00 0.00 H new ATOM 0 HA CYS A 79 4.023 -8.915 -0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.352 -6.377 -0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.874 -7.302 -1.160 1.00 0.00 H new ATOM 0 HG CYS A 79 3.512 -6.502 1.699 1.00 0.00 H new ATOM 1151 N THR A 80 2.207 -10.385 -0.737 1.00 0.00 N ATOM 1152 CA THR A 80 1.327 -11.458 -1.129 1.00 0.00 C ATOM 1153 C THR A 80 -0.103 -11.168 -0.702 1.00 0.00 C ATOM 1154 O THR A 80 -0.419 -11.155 0.489 1.00 0.00 O ATOM 1155 CB THR A 80 1.782 -12.786 -0.490 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.844 -13.375 -1.257 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.613 -13.753 -0.353 1.00 0.00 C ATOM 0 H THR A 80 2.351 -10.321 0.271 1.00 0.00 H new ATOM 0 HA THR A 80 1.367 -11.541 -2.215 1.00 0.00 H new ATOM 0 HB THR A 80 2.158 -12.572 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.123 -14.216 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.960 -14.682 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.156 -13.307 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.197 -13.963 -1.338 1.00 0.00 H new ATOM 1165 N CYS A 81 -0.962 -10.934 -1.661 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.370 -10.832 -1.380 1.00 0.00 C ATOM 1167 C CYS A 81 -2.978 -12.217 -1.516 1.00 0.00 C ATOM 1168 O CYS A 81 -2.719 -12.936 -2.484 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.016 -9.819 -2.305 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.224 -8.197 -2.213 1.00 0.00 S ATOM 0 H CYS A 81 -0.711 -10.811 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.542 -10.475 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.969 -10.186 -3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.071 -9.720 -2.050 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.679 -7.550 -1.181 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.772 -12.589 -0.538 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.088 -13.986 -0.317 1.00 0.00 C ATOM 1178 C LYS A 82 -5.439 -14.375 -0.900 1.00 0.00 C ATOM 1179 O LYS A 82 -6.105 -13.572 -1.556 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.045 -14.271 1.180 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.703 -13.930 1.812 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.683 -14.211 3.304 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.926 -15.680 3.604 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.705 -16.005 5.037 1.00 0.00 N ATOM 0 H LYS A 82 -4.212 -11.945 0.119 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.344 -14.591 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.830 -13.699 1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.263 -15.325 1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.917 -14.507 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.479 -12.877 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.721 -13.910 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.445 -13.608 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.947 -15.941 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.264 -16.289 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.882 -17.018 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.723 -15.781 5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.355 -15.444 5.624 1.00 0.00 H new ATOM 1198 N GLU A 83 -5.826 -15.618 -0.670 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.119 -16.119 -1.122 1.00 0.00 C ATOM 1200 C GLU A 83 -8.273 -15.250 -0.596 1.00 0.00 C ATOM 1201 O GLU A 83 -9.123 -14.830 -1.379 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.278 -17.593 -0.702 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.448 -18.324 -1.350 1.00 0.00 C ATOM 1204 CD GLU A 83 -9.782 -18.013 -0.703 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -9.932 -18.264 0.513 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -10.693 -17.537 -1.411 1.00 0.00 O ATOM 0 H GLU A 83 -5.262 -16.305 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.158 -16.063 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.358 -18.125 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.397 -17.636 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.494 -18.058 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.269 -19.398 -1.299 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.315 -14.927 0.716 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.400 -14.120 1.289 1.00 0.00 C ATOM 1215 C PRO A 84 -9.290 -12.638 0.948 1.00 0.00 C ATOM 1216 O PRO A 84 -9.854 -11.794 1.649 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.212 -14.308 2.791 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.755 -14.514 2.947 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.338 -15.318 1.752 1.00 0.00 C ATOM 0 HA PRO A 84 -10.371 -14.431 0.904 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.554 -13.436 3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.778 -15.163 3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.225 -13.562 2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.529 -15.041 3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.317 -15.086 1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.375 -16.388 1.955 1.00 0.00 H new ATOM 1227 N THR A 85 -8.560 -12.306 -0.106 1.00 0.00 N ATOM 1228 CA THR A 85 -8.384 -10.907 -0.457 1.00 0.00 C ATOM 1229 C THR A 85 -8.782 -10.611 -1.910 1.00 0.00 C ATOM 1230 O THR A 85 -8.040 -10.901 -2.849 1.00 0.00 O ATOM 1231 CB THR A 85 -6.948 -10.404 -0.164 1.00 0.00 C ATOM 1232 OG1 THR A 85 -5.985 -11.090 -0.961 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.603 -10.582 1.311 1.00 0.00 C ATOM 0 H THR A 85 -8.090 -12.970 -0.721 1.00 0.00 H new ATOM 0 HA THR A 85 -9.066 -10.351 0.187 1.00 0.00 H new ATOM 0 HB THR A 85 -6.919 -9.344 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.341 -11.965 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.590 -10.222 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.306 -10.013 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.666 -11.638 1.575 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.003 -10.052 -2.081 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.549 -9.555 -3.361 1.00 0.00 C ATOM 1243 C PRO A 86 -9.576 -8.824 -4.319 1.00 0.00 C ATOM 1244 O PRO A 86 -9.852 -8.769 -5.518 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.651 -8.612 -2.863 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.221 -9.362 -1.721 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.029 -9.936 -1.008 1.00 0.00 C ATOM 0 HA PRO A 86 -10.858 -10.386 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.250 -7.646 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.397 -8.417 -3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.797 -8.708 -1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.896 -10.148 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.693 -9.286 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.256 -10.905 -0.563 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.457 -8.260 -3.842 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.536 -7.576 -4.765 1.00 0.00 C ATOM 1257 C ASN A 87 -6.120 -7.448 -4.233 1.00 0.00 C ATOM 1258 O ASN A 87 -5.831 -7.777 -3.087 1.00 0.00 O ATOM 1259 CB ASN A 87 -7.990 -6.161 -5.086 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.460 -5.669 -6.427 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -7.268 -6.447 -7.359 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.204 -4.372 -6.513 1.00 0.00 N ATOM 0 H ASN A 87 -8.173 -8.261 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.546 -8.212 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.079 -6.125 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.655 -5.487 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.832 -3.982 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.379 -3.763 -5.713 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.259 -6.947 -5.116 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.954 -6.419 -4.767 1.00 0.00 C ATOM 1271 C ALA A 88 -3.743 -5.100 -5.500 1.00 0.00 C ATOM 1272 O ALA A 88 -3.575 -5.086 -6.721 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.848 -7.384 -5.144 1.00 0.00 C ATOM 0 H ALA A 88 -5.459 -6.898 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.919 -6.269 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.883 -6.957 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.992 -8.327 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.872 -7.563 -6.219 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.776 -4.000 -4.768 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.546 -2.693 -5.352 1.00 0.00 C ATOM 1281 C TYR A 89 -2.080 -2.351 -5.236 1.00 0.00 C ATOM 1282 O TYR A 89 -1.477 -2.553 -4.179 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.361 -1.615 -4.642 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.604 -1.158 -5.369 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.514 -0.316 -6.469 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.862 -1.523 -4.925 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.647 0.133 -7.118 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -8.000 -1.073 -5.560 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.890 -0.246 -6.658 1.00 0.00 C ATOM 1290 OH TYR A 89 -9.023 0.202 -7.294 1.00 0.00 O ATOM 0 H TYR A 89 -3.961 -3.988 -3.765 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.854 -2.728 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.652 -1.991 -3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.720 -0.750 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.542 -0.007 -6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.954 -2.171 -4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.560 0.777 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.974 -1.367 -5.199 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.815 -0.159 -6.844 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.512 -1.851 -6.316 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.118 -1.443 -6.337 1.00 0.00 C ATOM 1302 C TYR A 90 0.799 -2.571 -5.883 1.00 0.00 C ATOM 1303 O TYR A 90 1.657 -2.392 -5.028 1.00 0.00 O ATOM 1304 CB TYR A 90 0.084 -0.176 -5.499 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.522 1.046 -6.152 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -1.837 1.421 -5.908 1.00 0.00 C ATOM 1307 CD2 TYR A 90 0.224 1.814 -7.036 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.388 2.531 -6.525 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.316 2.924 -7.654 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.623 3.278 -7.397 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.165 4.382 -8.016 1.00 0.00 O ATOM 0 H TYR A 90 -2.000 -1.716 -7.201 1.00 0.00 H new ATOM 0 HA TYR A 90 0.152 -1.210 -7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.363 -0.319 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.150 -0.011 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.439 0.838 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.247 1.537 -7.244 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.412 2.811 -6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.282 3.512 -8.335 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.492 4.795 -8.597 1.00 0.00 H new ATOM 1321 N GLU A 91 0.579 -3.743 -6.470 1.00 0.00 N ATOM 1322 CA GLU A 91 1.493 -4.881 -6.370 1.00 0.00 C ATOM 1323 C GLU A 91 1.583 -5.483 -4.968 1.00 0.00 C ATOM 1324 O GLU A 91 2.339 -6.431 -4.754 1.00 0.00 O ATOM 1325 CB GLU A 91 2.889 -4.458 -6.814 1.00 0.00 C ATOM 1326 CG GLU A 91 2.889 -3.480 -7.970 1.00 0.00 C ATOM 1327 CD GLU A 91 2.656 -4.144 -9.309 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.639 -4.609 -9.924 1.00 0.00 O ATOM 1329 OE2 GLU A 91 1.490 -4.195 -9.761 1.00 0.00 O ATOM 0 H GLU A 91 -0.248 -3.934 -7.036 1.00 0.00 H new ATOM 0 HA GLU A 91 1.085 -5.654 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.409 -4.008 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.454 -5.345 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.116 -2.730 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.843 -2.954 -7.993 1.00 0.00 H new ATOM 1336 N GLY A 92 0.822 -4.974 -4.021 1.00 0.00 N ATOM 1337 CA GLY A 92 0.989 -5.432 -2.661 1.00 0.00 C ATOM 1338 C GLY A 92 0.752 -4.346 -1.648 1.00 0.00 C ATOM 1339 O GLY A 92 0.734 -4.610 -0.447 1.00 0.00 O ATOM 0 H GLY A 92 0.103 -4.264 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.300 -6.255 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.998 -5.825 -2.536 1.00 0.00 H new ATOM 1343 N VAL A 93 0.570 -3.120 -2.115 1.00 0.00 N ATOM 1344 CA VAL A 93 0.414 -2.004 -1.208 1.00 0.00 C ATOM 1345 C VAL A 93 -0.976 -1.988 -0.607 1.00 0.00 C ATOM 1346 O VAL A 93 -1.169 -1.471 0.483 1.00 0.00 O ATOM 1347 CB VAL A 93 0.707 -0.661 -1.896 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.754 0.473 -0.884 1.00 0.00 C ATOM 1349 CG2 VAL A 93 2.013 -0.746 -2.662 1.00 0.00 C ATOM 0 H VAL A 93 0.528 -2.879 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 93 1.144 -2.137 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.101 -0.449 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.963 1.411 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.206 0.545 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.539 0.277 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.213 0.210 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.824 -0.981 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.941 -1.528 -3.418 1.00 0.00 H new ATOM 1359 N PHE A 94 -1.948 -2.549 -1.312 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.302 -2.642 -0.767 1.00 0.00 C ATOM 1361 C PHE A 94 -3.984 -3.872 -1.264 1.00 0.00 C ATOM 1362 O PHE A 94 -3.500 -4.558 -2.161 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.203 -1.466 -1.171 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.518 -0.163 -1.229 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.715 0.120 -2.302 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.660 0.767 -0.225 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.057 1.303 -2.386 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -3.006 1.967 -0.302 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.200 2.233 -1.379 1.00 0.00 C ATOM 0 H PHE A 94 -1.832 -2.941 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.170 -2.647 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.638 -1.677 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.028 -1.397 -0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.604 -0.609 -3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.289 0.550 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.425 1.515 -3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.124 2.701 0.482 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.675 3.175 -1.438 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.126 -4.123 -0.687 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.035 -5.070 -1.231 1.00 0.00 C ATOM 1381 C CYS A 95 -7.435 -4.463 -1.225 1.00 0.00 C ATOM 1382 O CYS A 95 -8.013 -4.217 -0.173 1.00 0.00 O ATOM 1383 CB CYS A 95 -5.981 -6.314 -0.371 1.00 0.00 C ATOM 1384 SG CYS A 95 -4.347 -7.060 -0.211 1.00 0.00 S ATOM 0 H CYS A 95 -5.445 -3.674 0.171 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.775 -5.330 -2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.349 -6.066 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.663 -7.055 -0.788 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.076 -7.745 -1.282 1.00 0.00 H new ATOM 1390 N SER A 96 -7.987 -4.298 -2.414 1.00 0.00 N ATOM 1391 CA SER A 96 -9.298 -3.688 -2.625 1.00 0.00 C ATOM 1392 C SER A 96 -9.922 -4.164 -3.910 1.00 0.00 C ATOM 1393 O SER A 96 -9.405 -3.881 -4.981 1.00 0.00 O ATOM 1394 CB SER A 96 -9.144 -2.220 -2.751 1.00 0.00 C ATOM 1395 OG SER A 96 -10.164 -1.506 -2.075 1.00 0.00 O ATOM 0 H SER A 96 -7.532 -4.588 -3.280 1.00 0.00 H new ATOM 0 HA SER A 96 -9.925 -3.963 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.173 -1.925 -2.353 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.152 -1.947 -3.806 1.00 0.00 H new ATOM 0 HG SER A 96 -9.837 -1.222 -1.196 1.00 0.00 H new ATOM 1401 N SER A 97 -11.080 -4.756 -3.780 1.00 0.00 N ATOM 1402 CA SER A 97 -11.726 -5.539 -4.830 1.00 0.00 C ATOM 1403 C SER A 97 -11.798 -4.804 -6.167 1.00 0.00 C ATOM 1404 O SER A 97 -11.916 -5.433 -7.219 1.00 0.00 O ATOM 1405 CB SER A 97 -13.123 -5.935 -4.377 1.00 0.00 C ATOM 1406 OG SER A 97 -13.834 -4.813 -3.922 1.00 0.00 O ATOM 0 H SER A 97 -11.626 -4.712 -2.919 1.00 0.00 H new ATOM 0 HA SER A 97 -11.113 -6.425 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.660 -6.402 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.056 -6.677 -3.581 1.00 0.00 H new ATOM 0 HG SER A 97 -14.796 -4.988 -3.985 1.00 0.00 H new