USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 771 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 -25 TYR OH : rot -177:sc= 1.19 USER MOD Set 1.2: A -26 TYR OH : rot -22:sc= 0.108 USER MOD Set 2.1: A -17 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A -20 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.86) USER MOD Set 3.1: A 26 TYR OH : rot 149:sc= 0.561 USER MOD Set 3.2: A 40 GLN : amide:sc= -1.78 K(o=-1.2,f=-3.7!) USER MOD Set 4.1: A 23 GLN : amide:sc= 0.798 K(o=1.8,f=-2.9) USER MOD Set 4.2: A 45 GLN : amide:sc= 0.98 K(o=1.8,f=-1.9!) USER MOD Set 5.1: A 6 HIS : no HD1:sc= 0.87 K(o=2,f=-10!) USER MOD Set 5.2: A 36 TYR OH : rot -22:sc= 1.08 USER MOD Single : A 9 SER OG : rot 101:sc= 1.22 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl 159:sc= -2.51! (180deg=-5.02!) USER MOD Single : A -6 GLN : amide:sc= 1.01 K(o=1,f=-7.1!) USER MOD Single : A -8 TYR OH : rot -42:sc= 0.466 USER MOD Single : A 12 GLN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -150:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 29 ASN : amide:sc= -3.95! C(o=-3.9!,f=-7.8!) USER MOD Single : A 32 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-6.8!) USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= 0.905 (180deg=0.456) USER MOD Single : A 43 SER OG : rot 84:sc= 2.2 USER MOD Single : A 44 SER OG : rot 81:sc= 0.257 USER MOD Single : A 47 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 58 MET CE :methyl -178:sc= -0.352 (180deg=-0.368) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= -0.515 (180deg=-2.11!) USER MOD Single : A 61 SER OG : rot -144:sc= 1.46 USER MOD Single : A 65 SER OG : rot -110:sc= 0.107 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -90:sc= 0.134 USER MOD Single : A 72 SER OG : rot -170:sc= -0.253 USER MOD Single : A 73 SER OG : rot 105:sc= 2.24 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 78 SER OG : rot 113:sc= 1.2 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A -10 ASN : amide:sc= -2.19 K(o=-2.2,f=-5.7!) USER MOD Single : A -12 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A -13 THR OG1 : rot 47:sc= 0.38 USER MOD Single : A -19 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-5.1!) USER MOD Single : A -21 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.2!) USER MOD Single : A -22 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A -23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -27 SER N :NH3+ -142:sc= 0.495 (180deg=0.0668) USER MOD Single : A -27 SER OG : rot 180:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 20.064 2.282 14.739 1.00 0.00 N ATOM 2 CA SER A -27 19.477 1.365 15.755 1.00 0.00 C ATOM 3 C SER A -27 18.129 1.913 16.228 1.00 0.00 C ATOM 4 O SER A -27 17.924 3.116 16.269 1.00 0.00 O ATOM 5 CB SER A -27 20.487 1.340 16.913 1.00 0.00 C ATOM 6 OG SER A -27 21.112 2.618 17.046 1.00 0.00 O ATOM 0 H1 SER A -27 20.536 1.724 13.999 1.00 0.00 H new ATOM 0 H2 SER A -27 19.309 2.856 14.312 1.00 0.00 H new ATOM 0 H3 SER A -27 20.758 2.908 15.196 1.00 0.00 H new ATOM 0 HA SER A -27 19.299 0.366 15.358 1.00 0.00 H new ATOM 0 HB2 SER A -27 19.981 1.075 17.842 1.00 0.00 H new ATOM 0 HB3 SER A -27 21.241 0.574 16.732 1.00 0.00 H new ATOM 0 HG SER A -27 21.753 2.593 17.787 1.00 0.00 H new ATOM 14 N TYR A -26 17.210 1.054 16.587 1.00 0.00 N ATOM 15 CA TYR A -26 15.886 1.550 17.063 1.00 0.00 C ATOM 16 C TYR A -26 16.030 2.056 18.505 1.00 0.00 C ATOM 17 O TYR A -26 17.022 2.677 18.841 1.00 0.00 O ATOM 18 CB TYR A -26 14.934 0.344 16.974 1.00 0.00 C ATOM 19 CG TYR A -26 13.643 0.747 16.282 1.00 0.00 C ATOM 20 CD1 TYR A -26 13.321 2.102 16.098 1.00 0.00 C ATOM 21 CD2 TYR A -26 12.767 -0.240 15.811 1.00 0.00 C ATOM 22 CE1 TYR A -26 12.138 2.463 15.450 1.00 0.00 C ATOM 23 CE2 TYR A -26 11.582 0.124 15.161 1.00 0.00 C ATOM 24 CZ TYR A -26 11.267 1.477 14.980 1.00 0.00 C ATOM 25 OH TYR A -26 10.099 1.835 14.334 1.00 0.00 O ATOM 0 H TYR A -26 17.318 0.040 16.571 1.00 0.00 H new ATOM 0 HA TYR A -26 15.503 2.380 16.469 1.00 0.00 H new ATOM 0 HB2 TYR A -26 15.412 -0.467 16.425 1.00 0.00 H new ATOM 0 HB3 TYR A -26 14.717 -0.033 17.974 1.00 0.00 H new ATOM 0 HD1 TYR A -26 13.991 2.868 16.459 1.00 0.00 H new ATOM 0 HD2 TYR A -26 13.007 -1.284 15.950 1.00 0.00 H new ATOM 0 HE1 TYR A -26 11.896 3.506 15.312 1.00 0.00 H new ATOM 0 HE2 TYR A -26 10.909 -0.639 14.798 1.00 0.00 H new ATOM 0 HH TYR A -26 9.856 2.751 14.582 1.00 0.00 H new ATOM 35 N TYR A -25 15.072 1.817 19.364 1.00 0.00 N ATOM 36 CA TYR A -25 15.210 2.314 20.767 1.00 0.00 C ATOM 37 C TYR A -25 14.905 1.213 21.793 1.00 0.00 C ATOM 38 O TYR A -25 13.776 0.788 21.938 1.00 0.00 O ATOM 39 CB TYR A -25 14.215 3.490 20.922 1.00 0.00 C ATOM 40 CG TYR A -25 12.998 3.340 20.023 1.00 0.00 C ATOM 41 CD1 TYR A -25 12.013 2.385 20.311 1.00 0.00 C ATOM 42 CD2 TYR A -25 12.857 4.170 18.906 1.00 0.00 C ATOM 43 CE1 TYR A -25 10.884 2.270 19.487 1.00 0.00 C ATOM 44 CE2 TYR A -25 11.732 4.052 18.081 1.00 0.00 C ATOM 45 CZ TYR A -25 10.745 3.100 18.369 1.00 0.00 C ATOM 46 OH TYR A -25 9.624 2.986 17.561 1.00 0.00 O ATOM 0 H TYR A -25 14.212 1.307 19.160 1.00 0.00 H new ATOM 0 HA TYR A -25 16.236 2.632 20.954 1.00 0.00 H new ATOM 0 HB2 TYR A -25 13.891 3.554 21.961 1.00 0.00 H new ATOM 0 HB3 TYR A -25 14.723 4.426 20.689 1.00 0.00 H new ATOM 0 HD1 TYR A -25 12.124 1.737 21.168 1.00 0.00 H new ATOM 0 HD2 TYR A -25 13.617 4.903 18.680 1.00 0.00 H new ATOM 0 HE1 TYR A -25 10.121 1.540 19.715 1.00 0.00 H new ATOM 0 HE2 TYR A -25 11.625 4.696 17.221 1.00 0.00 H new ATOM 0 HH TYR A -25 9.704 3.601 16.802 1.00 0.00 H new ATOM 56 N HIS A -24 15.898 0.778 22.540 1.00 0.00 N ATOM 57 CA HIS A -24 15.639 -0.254 23.599 1.00 0.00 C ATOM 58 C HIS A -24 14.598 0.338 24.556 1.00 0.00 C ATOM 59 O HIS A -24 13.621 -0.289 24.915 1.00 0.00 O ATOM 60 CB HIS A -24 16.978 -0.456 24.327 1.00 0.00 C ATOM 61 CG HIS A -24 17.890 -1.330 23.511 1.00 0.00 C ATOM 62 ND1 HIS A -24 17.983 -2.698 23.715 1.00 0.00 N ATOM 63 CD2 HIS A -24 18.777 -1.041 22.501 1.00 0.00 C ATOM 64 CE1 HIS A -24 18.896 -3.176 22.849 1.00 0.00 C ATOM 65 NE2 HIS A -24 19.412 -2.207 22.087 1.00 0.00 N ATOM 0 H HIS A -24 16.866 1.090 22.463 1.00 0.00 H new ATOM 0 HA HIS A -24 15.273 -1.202 23.204 1.00 0.00 H new ATOM 0 HB2 HIS A -24 17.452 0.509 24.505 1.00 0.00 H new ATOM 0 HB3 HIS A -24 16.804 -0.911 25.302 1.00 0.00 H new ATOM 0 HD2 HIS A -24 18.954 -0.058 22.091 1.00 0.00 H new ATOM 0 HE1 HIS A -24 19.177 -4.216 22.779 1.00 0.00 H new ATOM 0 HE2 HIS A -24 20.119 -2.302 21.358 1.00 0.00 H new ATOM 73 N HIS A -23 14.802 1.574 24.924 1.00 0.00 N ATOM 74 CA HIS A -23 13.850 2.304 25.807 1.00 0.00 C ATOM 75 C HIS A -23 13.494 3.607 25.086 1.00 0.00 C ATOM 76 O HIS A -23 12.366 3.830 24.691 1.00 0.00 O ATOM 77 CB HIS A -23 14.630 2.581 27.095 1.00 0.00 C ATOM 78 CG HIS A -23 14.112 1.712 28.204 1.00 0.00 C ATOM 79 ND1 HIS A -23 14.232 0.328 28.194 1.00 0.00 N ATOM 80 CD2 HIS A -23 13.475 2.023 29.379 1.00 0.00 C ATOM 81 CE1 HIS A -23 13.679 -0.133 29.332 1.00 0.00 C ATOM 82 NE2 HIS A -23 13.201 0.857 30.088 1.00 0.00 N ATOM 0 H HIS A -23 15.614 2.123 24.640 1.00 0.00 H new ATOM 0 HA HIS A -23 12.932 1.761 26.030 1.00 0.00 H new ATOM 0 HB2 HIS A -23 15.691 2.389 26.936 1.00 0.00 H new ATOM 0 HB3 HIS A -23 14.534 3.631 27.370 1.00 0.00 H new ATOM 0 HD2 HIS A -23 13.224 3.022 29.704 1.00 0.00 H new ATOM 0 HE1 HIS A -23 13.629 -1.178 29.600 1.00 0.00 H new ATOM 0 HE2 HIS A -23 12.735 0.777 30.992 1.00 0.00 H new ATOM 90 N HIS A -22 14.481 4.438 24.873 1.00 0.00 N ATOM 91 CA HIS A -22 14.274 5.715 24.134 1.00 0.00 C ATOM 92 C HIS A -22 15.623 6.156 23.556 1.00 0.00 C ATOM 93 O HIS A -22 16.554 6.436 24.289 1.00 0.00 O ATOM 94 CB HIS A -22 13.765 6.729 25.162 1.00 0.00 C ATOM 95 CG HIS A -22 12.887 7.732 24.465 1.00 0.00 C ATOM 96 ND1 HIS A -22 13.395 8.680 23.586 1.00 0.00 N ATOM 97 CD2 HIS A -22 11.529 7.931 24.485 1.00 0.00 C ATOM 98 CE1 HIS A -22 12.357 9.395 23.117 1.00 0.00 C ATOM 99 NE2 HIS A -22 11.197 8.980 23.634 1.00 0.00 N ATOM 0 H HIS A -22 15.439 4.281 25.187 1.00 0.00 H new ATOM 0 HA HIS A -22 13.562 5.619 23.314 1.00 0.00 H new ATOM 0 HB2 HIS A -22 13.206 6.221 25.948 1.00 0.00 H new ATOM 0 HB3 HIS A -22 14.604 7.232 25.642 1.00 0.00 H new ATOM 0 HD2 HIS A -22 10.825 7.360 25.072 1.00 0.00 H new ATOM 0 HE1 HIS A -22 12.450 10.205 22.409 1.00 0.00 H new ATOM 0 HE2 HIS A -22 10.267 9.353 23.445 1.00 0.00 H new ATOM 107 N HIS A -21 15.747 6.200 22.253 1.00 0.00 N ATOM 108 CA HIS A -21 17.050 6.602 21.629 1.00 0.00 C ATOM 109 C HIS A -21 16.799 7.349 20.316 1.00 0.00 C ATOM 110 O HIS A -21 16.437 6.753 19.317 1.00 0.00 O ATOM 111 CB HIS A -21 17.781 5.284 21.352 1.00 0.00 C ATOM 112 CG HIS A -21 18.958 5.138 22.285 1.00 0.00 C ATOM 113 ND1 HIS A -21 18.877 5.414 23.645 1.00 0.00 N ATOM 114 CD2 HIS A -21 20.253 4.729 22.068 1.00 0.00 C ATOM 115 CE1 HIS A -21 20.089 5.170 24.183 1.00 0.00 C ATOM 116 NE2 HIS A -21 20.962 4.749 23.265 1.00 0.00 N ATOM 0 H HIS A -21 15.003 5.975 21.592 1.00 0.00 H new ATOM 0 HA HIS A -21 17.626 7.266 22.274 1.00 0.00 H new ATOM 0 HB2 HIS A -21 17.097 4.445 21.483 1.00 0.00 H new ATOM 0 HB3 HIS A -21 18.122 5.259 20.317 1.00 0.00 H new ATOM 0 HD1 HIS A -21 18.051 5.742 24.145 1.00 0.00 H new ATOM 0 HD2 HIS A -21 20.659 4.436 21.111 1.00 0.00 H new ATOM 0 HE1 HIS A -21 20.325 5.299 25.229 1.00 0.00 H new ATOM 124 N HIS A -20 16.987 8.648 20.314 1.00 0.00 N ATOM 125 CA HIS A -20 16.754 9.451 19.072 1.00 0.00 C ATOM 126 C HIS A -20 15.334 9.179 18.548 1.00 0.00 C ATOM 127 O HIS A -20 14.392 9.182 19.314 1.00 0.00 O ATOM 128 CB HIS A -20 17.832 8.991 18.081 1.00 0.00 C ATOM 129 CG HIS A -20 17.998 10.030 16.995 1.00 0.00 C ATOM 130 ND1 HIS A -20 18.414 9.696 15.712 1.00 0.00 N ATOM 131 CD2 HIS A -20 17.778 11.389 16.973 1.00 0.00 C ATOM 132 CE1 HIS A -20 18.428 10.827 14.984 1.00 0.00 C ATOM 133 NE2 HIS A -20 18.049 11.885 15.703 1.00 0.00 N ATOM 0 H HIS A -20 17.293 9.188 21.123 1.00 0.00 H new ATOM 0 HA HIS A -20 16.823 10.526 19.238 1.00 0.00 H new ATOM 0 HB2 HIS A -20 18.778 8.839 18.601 1.00 0.00 H new ATOM 0 HB3 HIS A -20 17.552 8.033 17.642 1.00 0.00 H new ATOM 0 HD2 HIS A -20 17.446 11.979 17.814 1.00 0.00 H new ATOM 0 HE1 HIS A -20 18.712 10.873 13.943 1.00 0.00 H new ATOM 0 HE2 HIS A -20 17.974 12.852 15.388 1.00 0.00 H new ATOM 141 N HIS A -19 15.165 8.940 17.261 1.00 0.00 N ATOM 142 CA HIS A -19 13.797 8.670 16.708 1.00 0.00 C ATOM 143 C HIS A -19 12.805 9.750 17.169 1.00 0.00 C ATOM 144 O HIS A -19 11.648 9.475 17.434 1.00 0.00 O ATOM 145 CB HIS A -19 13.406 7.285 17.249 1.00 0.00 C ATOM 146 CG HIS A -19 14.117 6.220 16.459 1.00 0.00 C ATOM 147 ND1 HIS A -19 13.623 5.731 15.260 1.00 0.00 N ATOM 148 CD2 HIS A -19 15.292 5.548 16.681 1.00 0.00 C ATOM 149 CE1 HIS A -19 14.493 4.808 14.811 1.00 0.00 C ATOM 150 NE2 HIS A -19 15.528 4.659 15.640 1.00 0.00 N ATOM 0 H HIS A -19 15.918 8.921 16.573 1.00 0.00 H new ATOM 0 HA HIS A -19 13.784 8.690 15.618 1.00 0.00 H new ATOM 0 HB2 HIS A -19 13.669 7.207 18.304 1.00 0.00 H new ATOM 0 HB3 HIS A -19 12.327 7.146 17.178 1.00 0.00 H new ATOM 0 HD2 HIS A -19 15.936 5.689 17.536 1.00 0.00 H new ATOM 0 HE1 HIS A -19 14.369 4.255 13.892 1.00 0.00 H new ATOM 0 HE2 HIS A -19 16.322 4.028 15.532 1.00 0.00 H new ATOM 158 N ASP A -18 13.251 10.983 17.252 1.00 0.00 N ATOM 159 CA ASP A -18 12.341 12.095 17.686 1.00 0.00 C ATOM 160 C ASP A -18 11.108 12.162 16.785 1.00 0.00 C ATOM 161 O ASP A -18 10.061 12.634 17.179 1.00 0.00 O ATOM 162 CB ASP A -18 13.180 13.375 17.563 1.00 0.00 C ATOM 163 CG ASP A -18 12.285 14.603 17.732 1.00 0.00 C ATOM 164 OD1 ASP A -18 11.724 14.769 18.800 1.00 0.00 O ATOM 165 OD2 ASP A -18 12.182 15.366 16.792 1.00 0.00 O ATOM 0 H ASP A -18 14.207 11.268 17.038 1.00 0.00 H new ATOM 0 HA ASP A -18 11.974 11.950 18.702 1.00 0.00 H new ATOM 0 HB2 ASP A -18 13.965 13.380 18.319 1.00 0.00 H new ATOM 0 HB3 ASP A -18 13.673 13.405 16.591 1.00 0.00 H new ATOM 170 N TYR A -17 11.225 11.671 15.591 1.00 0.00 N ATOM 171 CA TYR A -17 10.060 11.676 14.653 1.00 0.00 C ATOM 172 C TYR A -17 9.580 10.241 14.400 1.00 0.00 C ATOM 173 O TYR A -17 9.013 9.940 13.365 1.00 0.00 O ATOM 174 CB TYR A -17 10.533 12.332 13.337 1.00 0.00 C ATOM 175 CG TYR A -17 12.045 12.282 13.193 1.00 0.00 C ATOM 176 CD1 TYR A -17 12.669 11.125 12.705 1.00 0.00 C ATOM 177 CD2 TYR A -17 12.820 13.395 13.542 1.00 0.00 C ATOM 178 CE1 TYR A -17 14.062 11.085 12.575 1.00 0.00 C ATOM 179 CE2 TYR A -17 14.213 13.352 13.411 1.00 0.00 C ATOM 180 CZ TYR A -17 14.833 12.200 12.926 1.00 0.00 C ATOM 181 OH TYR A -17 16.206 12.157 12.804 1.00 0.00 O ATOM 0 H TYR A -17 12.080 11.262 15.214 1.00 0.00 H new ATOM 0 HA TYR A -17 9.223 12.233 15.075 1.00 0.00 H new ATOM 0 HB2 TYR A -17 10.070 11.824 12.491 1.00 0.00 H new ATOM 0 HB3 TYR A -17 10.199 13.369 13.307 1.00 0.00 H new ATOM 0 HD1 TYR A -17 12.075 10.266 12.430 1.00 0.00 H new ATOM 0 HD2 TYR A -17 12.342 14.289 13.913 1.00 0.00 H new ATOM 0 HE1 TYR A -17 14.543 10.192 12.203 1.00 0.00 H new ATOM 0 HE2 TYR A -17 14.808 14.211 13.685 1.00 0.00 H new ATOM 0 HH TYR A -17 16.587 13.014 13.089 1.00 0.00 H new ATOM 191 N ASP A -16 9.784 9.353 15.340 1.00 0.00 N ATOM 192 CA ASP A -16 9.318 7.949 15.150 1.00 0.00 C ATOM 193 C ASP A -16 8.275 7.611 16.207 1.00 0.00 C ATOM 194 O ASP A -16 8.600 7.191 17.302 1.00 0.00 O ATOM 195 CB ASP A -16 10.548 7.060 15.323 1.00 0.00 C ATOM 196 CG ASP A -16 10.261 5.683 14.725 1.00 0.00 C ATOM 197 OD1 ASP A -16 10.382 5.549 13.522 1.00 0.00 O ATOM 198 OD2 ASP A -16 9.924 4.783 15.476 1.00 0.00 O ATOM 0 H ASP A -16 10.251 9.540 16.227 1.00 0.00 H new ATOM 0 HA ASP A -16 8.864 7.805 14.170 1.00 0.00 H new ATOM 0 HB2 ASP A -16 11.410 7.511 14.831 1.00 0.00 H new ATOM 0 HB3 ASP A -16 10.798 6.966 16.380 1.00 0.00 H new ATOM 203 N ILE A -15 7.026 7.787 15.895 1.00 0.00 N ATOM 204 CA ILE A -15 5.968 7.459 16.885 1.00 0.00 C ATOM 205 C ILE A -15 5.658 5.967 16.771 1.00 0.00 C ATOM 206 O ILE A -15 5.287 5.497 15.710 1.00 0.00 O ATOM 207 CB ILE A -15 4.752 8.312 16.502 1.00 0.00 C ATOM 208 CG1 ILE A -15 5.183 9.767 16.258 1.00 0.00 C ATOM 209 CG2 ILE A -15 3.736 8.286 17.645 1.00 0.00 C ATOM 210 CD1 ILE A -15 5.750 10.376 17.547 1.00 0.00 C ATOM 0 H ILE A -15 6.691 8.143 15.000 1.00 0.00 H new ATOM 0 HA ILE A -15 6.262 7.666 17.914 1.00 0.00 H new ATOM 0 HB ILE A -15 4.308 7.907 15.593 1.00 0.00 H new ATOM 0 HG12 ILE A -15 5.934 9.804 15.469 1.00 0.00 H new ATOM 0 HG13 ILE A -15 4.331 10.353 15.914 1.00 0.00 H new ATOM 0 HG21 ILE A -15 2.870 8.891 17.376 1.00 0.00 H new ATOM 0 HG22 ILE A -15 3.419 7.259 17.826 1.00 0.00 H new ATOM 0 HG23 ILE A -15 4.194 8.689 18.548 1.00 0.00 H new ATOM 0 HD11 ILE A -15 6.052 11.407 17.360 1.00 0.00 H new ATOM 0 HD12 ILE A -15 4.987 10.356 18.325 1.00 0.00 H new ATOM 0 HD13 ILE A -15 6.615 9.798 17.873 1.00 0.00 H new ATOM 222 N PRO A -14 5.850 5.254 17.853 1.00 0.00 N ATOM 223 CA PRO A -14 5.605 3.786 17.849 1.00 0.00 C ATOM 224 C PRO A -14 4.117 3.475 17.687 1.00 0.00 C ATOM 225 O PRO A -14 3.484 2.909 18.561 1.00 0.00 O ATOM 226 CB PRO A -14 6.138 3.329 19.196 1.00 0.00 C ATOM 227 CG PRO A -14 6.083 4.542 20.070 1.00 0.00 C ATOM 228 CD PRO A -14 6.294 5.732 19.170 1.00 0.00 C ATOM 0 HA PRO A -14 6.091 3.275 17.018 1.00 0.00 H new ATOM 0 HB2 PRO A -14 5.533 2.520 19.606 1.00 0.00 H new ATOM 0 HB3 PRO A -14 7.157 2.952 19.109 1.00 0.00 H new ATOM 0 HG2 PRO A -14 5.122 4.608 20.581 1.00 0.00 H new ATOM 0 HG3 PRO A -14 6.852 4.499 20.841 1.00 0.00 H new ATOM 0 HD2 PRO A -14 5.713 6.593 19.501 1.00 0.00 H new ATOM 0 HD3 PRO A -14 7.339 6.041 19.153 1.00 0.00 H new ATOM 236 N THR A -13 3.565 3.842 16.575 1.00 0.00 N ATOM 237 CA THR A -13 2.118 3.587 16.325 1.00 0.00 C ATOM 238 C THR A -13 1.894 3.166 14.870 1.00 0.00 C ATOM 239 O THR A -13 2.119 3.932 13.949 1.00 0.00 O ATOM 240 CB THR A -13 1.417 4.921 16.601 1.00 0.00 C ATOM 241 OG1 THR A -13 2.076 5.975 15.903 1.00 0.00 O ATOM 242 CG2 THR A -13 1.424 5.226 18.102 1.00 0.00 C ATOM 0 H THR A -13 4.055 4.314 15.815 1.00 0.00 H new ATOM 0 HA THR A -13 1.734 2.785 16.955 1.00 0.00 H new ATOM 0 HB THR A -13 0.386 4.845 16.255 1.00 0.00 H new ATOM 0 HG1 THR A -13 2.239 5.702 14.976 1.00 0.00 H new ATOM 0 HG21 THR A -13 0.922 6.177 18.282 1.00 0.00 H new ATOM 0 HG22 THR A -13 0.901 4.433 18.637 1.00 0.00 H new ATOM 0 HG23 THR A -13 2.453 5.286 18.456 1.00 0.00 H new ATOM 250 N THR A -12 1.425 1.972 14.659 1.00 0.00 N ATOM 251 CA THR A -12 1.143 1.508 13.270 1.00 0.00 C ATOM 252 C THR A -12 -0.278 1.928 12.899 1.00 0.00 C ATOM 253 O THR A -12 -0.559 2.347 11.790 1.00 0.00 O ATOM 254 CB THR A -12 1.254 -0.018 13.330 1.00 0.00 C ATOM 255 OG1 THR A -12 0.431 -0.518 14.377 1.00 0.00 O ATOM 256 CG2 THR A -12 2.703 -0.417 13.590 1.00 0.00 C ATOM 0 H THR A -12 1.223 1.291 15.391 1.00 0.00 H new ATOM 0 HA THR A -12 1.824 1.926 12.529 1.00 0.00 H new ATOM 0 HB THR A -12 0.926 -0.438 12.379 1.00 0.00 H new ATOM 0 HG1 THR A -12 0.503 -1.495 14.412 1.00 0.00 H new ATOM 0 HG21 THR A -12 2.779 -1.504 13.632 1.00 0.00 H new ATOM 0 HG22 THR A -12 3.334 -0.040 12.785 1.00 0.00 H new ATOM 0 HG23 THR A -12 3.033 0.007 14.539 1.00 0.00 H new ATOM 264 N GLU A -11 -1.166 1.818 13.846 1.00 0.00 N ATOM 265 CA GLU A -11 -2.590 2.204 13.618 1.00 0.00 C ATOM 266 C GLU A -11 -2.725 3.698 13.302 1.00 0.00 C ATOM 267 O GLU A -11 -3.776 4.159 12.902 1.00 0.00 O ATOM 268 CB GLU A -11 -3.303 1.860 14.929 1.00 0.00 C ATOM 269 CG GLU A -11 -2.787 2.775 16.045 1.00 0.00 C ATOM 270 CD GLU A -11 -1.921 1.980 17.019 1.00 0.00 C ATOM 271 OE1 GLU A -11 -0.838 1.583 16.632 1.00 0.00 O ATOM 272 OE2 GLU A -11 -2.348 1.789 18.141 1.00 0.00 O ATOM 0 H GLU A -11 -0.964 1.472 14.784 1.00 0.00 H new ATOM 0 HA GLU A -11 -3.017 1.680 12.763 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -4.380 1.982 14.813 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -3.126 0.816 15.189 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -2.208 3.593 15.616 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -3.627 3.223 16.576 1.00 0.00 H new ATOM 279 N ASN A -10 -1.677 4.459 13.470 1.00 0.00 N ATOM 280 CA ASN A -10 -1.754 5.930 13.175 1.00 0.00 C ATOM 281 C ASN A -10 -2.116 6.172 11.713 1.00 0.00 C ATOM 282 O ASN A -10 -2.577 7.235 11.339 1.00 0.00 O ATOM 283 CB ASN A -10 -0.369 6.505 13.514 1.00 0.00 C ATOM 284 CG ASN A -10 0.673 6.111 12.454 1.00 0.00 C ATOM 285 OD1 ASN A -10 0.560 5.086 11.812 1.00 0.00 O ATOM 286 ND2 ASN A -10 1.696 6.887 12.243 1.00 0.00 N ATOM 0 H ASN A -10 -0.769 4.131 13.798 1.00 0.00 H new ATOM 0 HA ASN A -10 -2.532 6.416 13.764 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -0.430 7.591 13.581 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -0.052 6.143 14.492 1.00 0.00 H new ATOM 0 HD21 ASN A -10 2.394 6.632 11.544 1.00 0.00 H new ATOM 0 HD22 ASN A -10 1.800 7.750 12.777 1.00 0.00 H new ATOM 293 N LEU A -9 -1.933 5.184 10.897 1.00 0.00 N ATOM 294 CA LEU A -9 -2.285 5.307 9.457 1.00 0.00 C ATOM 295 C LEU A -9 -3.709 4.789 9.244 1.00 0.00 C ATOM 296 O LEU A -9 -4.527 5.421 8.602 1.00 0.00 O ATOM 297 CB LEU A -9 -1.274 4.425 8.714 1.00 0.00 C ATOM 298 CG LEU A -9 -1.014 4.975 7.308 1.00 0.00 C ATOM 299 CD1 LEU A -9 -0.199 3.956 6.520 1.00 0.00 C ATOM 300 CD2 LEU A -9 -2.341 5.218 6.575 1.00 0.00 C ATOM 0 H LEU A -9 -1.548 4.279 11.167 1.00 0.00 H new ATOM 0 HA LEU A -9 -2.249 6.337 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -0.339 4.383 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -1.652 3.405 8.648 1.00 0.00 H new ATOM 0 HG LEU A -9 -0.473 5.917 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -0.009 4.339 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A -9 0.750 3.779 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -0.754 3.020 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -2.139 5.609 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -2.889 4.279 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -2.938 5.939 7.133 1.00 0.00 H new ATOM 312 N TYR A -8 -4.010 3.636 9.784 1.00 0.00 N ATOM 313 CA TYR A -8 -5.381 3.055 9.618 1.00 0.00 C ATOM 314 C TYR A -8 -6.391 3.719 10.564 1.00 0.00 C ATOM 315 O TYR A -8 -7.553 3.358 10.590 1.00 0.00 O ATOM 316 CB TYR A -8 -5.240 1.562 9.954 1.00 0.00 C ATOM 317 CG TYR A -8 -4.186 0.915 9.076 1.00 0.00 C ATOM 318 CD1 TYR A -8 -4.409 0.766 7.701 1.00 0.00 C ATOM 319 CD2 TYR A -8 -2.991 0.453 9.644 1.00 0.00 C ATOM 320 CE1 TYR A -8 -3.436 0.159 6.896 1.00 0.00 C ATOM 321 CE2 TYR A -8 -2.020 -0.156 8.840 1.00 0.00 C ATOM 322 CZ TYR A -8 -2.243 -0.304 7.466 1.00 0.00 C ATOM 323 OH TYR A -8 -1.289 -0.914 6.671 1.00 0.00 O ATOM 0 H TYR A -8 -3.365 3.069 10.335 1.00 0.00 H new ATOM 0 HA TYR A -8 -5.754 3.217 8.607 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -4.970 1.444 11.003 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -6.197 1.060 9.813 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -5.330 1.119 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -2.819 0.567 10.704 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -3.606 0.048 5.835 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -1.100 -0.511 9.280 1.00 0.00 H new ATOM 0 HH TYR A -8 -1.729 -1.521 6.039 1.00 0.00 H new ATOM 333 N PHE A -7 -5.968 4.682 11.328 1.00 0.00 N ATOM 334 CA PHE A -7 -6.908 5.371 12.270 1.00 0.00 C ATOM 335 C PHE A -7 -7.757 6.406 11.527 1.00 0.00 C ATOM 336 O PHE A -7 -8.789 6.826 12.013 1.00 0.00 O ATOM 337 CB PHE A -7 -6.029 6.059 13.323 1.00 0.00 C ATOM 338 CG PHE A -7 -6.422 5.565 14.697 1.00 0.00 C ATOM 339 CD1 PHE A -7 -7.713 5.803 15.183 1.00 0.00 C ATOM 340 CD2 PHE A -7 -5.503 4.856 15.478 1.00 0.00 C ATOM 341 CE1 PHE A -7 -8.086 5.333 16.447 1.00 0.00 C ATOM 342 CE2 PHE A -7 -5.875 4.388 16.745 1.00 0.00 C ATOM 343 CZ PHE A -7 -7.166 4.625 17.229 1.00 0.00 C ATOM 0 H PHE A -7 -5.009 5.028 11.346 1.00 0.00 H new ATOM 0 HA PHE A -7 -7.598 4.661 12.727 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -4.977 5.844 13.133 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -6.149 7.141 13.264 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -8.423 6.351 14.581 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -4.507 4.669 15.104 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -9.083 5.516 16.819 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -5.164 3.844 17.349 1.00 0.00 H new ATOM 0 HZ PHE A -7 -7.452 4.262 18.205 1.00 0.00 H new ATOM 353 N GLN A -6 -7.337 6.821 10.358 1.00 0.00 N ATOM 354 CA GLN A -6 -8.131 7.830 9.590 1.00 0.00 C ATOM 355 C GLN A -6 -9.194 7.121 8.743 1.00 0.00 C ATOM 356 O GLN A -6 -9.289 7.336 7.547 1.00 0.00 O ATOM 357 CB GLN A -6 -7.116 8.553 8.694 1.00 0.00 C ATOM 358 CG GLN A -6 -6.012 9.179 9.553 1.00 0.00 C ATOM 359 CD GLN A -6 -4.692 9.180 8.781 1.00 0.00 C ATOM 360 OE1 GLN A -6 -4.072 10.210 8.620 1.00 0.00 O ATOM 361 NE2 GLN A -6 -4.230 8.066 8.288 1.00 0.00 N ATOM 0 H GLN A -6 -6.480 6.506 9.903 1.00 0.00 H new ATOM 0 HA GLN A -6 -8.654 8.528 10.243 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -6.681 7.851 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -7.618 9.326 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -6.285 10.198 9.826 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -5.900 8.620 10.482 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -4.747 7.197 8.420 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -3.351 8.063 7.770 1.00 0.00 H new ATOM 370 N GLY A -5 -9.993 6.280 9.348 1.00 0.00 N ATOM 371 CA GLY A -5 -11.050 5.560 8.575 1.00 0.00 C ATOM 372 C GLY A -5 -12.020 6.578 7.964 1.00 0.00 C ATOM 373 O GLY A -5 -12.406 6.467 6.813 1.00 0.00 O ATOM 0 H GLY A -5 -9.959 6.061 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -10.594 4.959 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -11.590 4.874 9.228 1.00 0.00 H new ATOM 377 N ALA A -4 -12.407 7.577 8.722 1.00 0.00 N ATOM 378 CA ALA A -4 -13.340 8.613 8.180 1.00 0.00 C ATOM 379 C ALA A -4 -12.564 9.539 7.235 1.00 0.00 C ATOM 380 O ALA A -4 -12.298 10.690 7.544 1.00 0.00 O ATOM 381 CB ALA A -4 -13.855 9.380 9.407 1.00 0.00 C ATOM 0 H ALA A -4 -12.117 7.718 9.690 1.00 0.00 H new ATOM 0 HA ALA A -4 -14.167 8.186 7.613 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -14.547 10.159 9.085 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -14.370 8.691 10.077 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -13.014 9.835 9.931 1.00 0.00 H new ATOM 387 N MET A -3 -12.181 9.040 6.089 1.00 0.00 N ATOM 388 CA MET A -3 -11.408 9.883 5.134 1.00 0.00 C ATOM 389 C MET A -3 -12.338 10.474 4.066 1.00 0.00 C ATOM 390 O MET A -3 -13.441 9.998 3.858 1.00 0.00 O ATOM 391 CB MET A -3 -10.351 8.953 4.519 1.00 0.00 C ATOM 392 CG MET A -3 -10.993 8.001 3.503 1.00 0.00 C ATOM 393 SD MET A -3 -9.900 6.583 3.187 1.00 0.00 S ATOM 394 CE MET A -3 -9.388 6.235 4.887 1.00 0.00 C ATOM 0 H MET A -3 -12.370 8.088 5.775 1.00 0.00 H new ATOM 0 HA MET A -3 -10.936 10.733 5.626 1.00 0.00 H new ATOM 0 HB2 MET A -3 -9.577 9.546 4.031 1.00 0.00 H new ATOM 0 HB3 MET A -3 -9.863 8.378 5.306 1.00 0.00 H new ATOM 0 HG2 MET A -3 -11.954 7.651 3.880 1.00 0.00 H new ATOM 0 HG3 MET A -3 -11.190 8.532 2.571 1.00 0.00 H new ATOM 0 HE1 MET A -3 -9.030 5.208 4.956 1.00 0.00 H new ATOM 0 HE2 MET A -3 -8.588 6.918 5.173 1.00 0.00 H new ATOM 0 HE3 MET A -3 -10.237 6.369 5.557 1.00 0.00 H new ATOM 404 N GLY A -2 -11.911 11.521 3.402 1.00 0.00 N ATOM 405 CA GLY A -2 -12.781 12.173 2.368 1.00 0.00 C ATOM 406 C GLY A -2 -12.902 11.318 1.101 1.00 0.00 C ATOM 407 O GLY A -2 -12.559 11.764 0.023 1.00 0.00 O ATOM 0 H GLY A -2 -10.996 11.954 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -13.773 12.346 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -12.369 13.149 2.110 1.00 0.00 H new ATOM 411 N SER A -1 -13.410 10.110 1.229 1.00 0.00 N ATOM 412 CA SER A -1 -13.600 9.195 0.046 1.00 0.00 C ATOM 413 C SER A -1 -12.564 9.456 -1.059 1.00 0.00 C ATOM 414 O SER A -1 -12.892 9.591 -2.222 1.00 0.00 O ATOM 415 CB SER A -1 -15.012 9.486 -0.450 1.00 0.00 C ATOM 416 OG SER A -1 -15.952 8.889 0.441 1.00 0.00 O ATOM 0 H SER A -1 -13.707 9.711 2.119 1.00 0.00 H new ATOM 0 HA SER A -1 -13.464 8.150 0.326 1.00 0.00 H new ATOM 0 HB2 SER A -1 -15.177 10.562 -0.505 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.146 9.091 -1.457 1.00 0.00 H new ATOM 0 HG SER A -1 -16.862 9.074 0.128 1.00 0.00 H new ATOM 422 N GLY A 1 -11.320 9.527 -0.690 1.00 0.00 N ATOM 423 CA GLY A 1 -10.238 9.775 -1.694 1.00 0.00 C ATOM 424 C GLY A 1 -10.053 8.531 -2.573 1.00 0.00 C ATOM 425 O GLY A 1 -10.800 7.581 -2.454 1.00 0.00 O ATOM 0 H GLY A 1 -10.997 9.424 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.493 10.635 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.304 10.015 -1.185 1.00 0.00 H new ATOM 429 N PRO A 2 -9.058 8.571 -3.432 1.00 0.00 N ATOM 430 CA PRO A 2 -8.785 7.430 -4.352 1.00 0.00 C ATOM 431 C PRO A 2 -8.454 6.148 -3.583 1.00 0.00 C ATOM 432 O PRO A 2 -9.049 5.112 -3.812 1.00 0.00 O ATOM 433 CB PRO A 2 -7.600 7.917 -5.190 1.00 0.00 C ATOM 434 CG PRO A 2 -6.958 8.974 -4.355 1.00 0.00 C ATOM 435 CD PRO A 2 -8.081 9.655 -3.619 1.00 0.00 C ATOM 0 HA PRO A 2 -9.648 7.167 -4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.905 7.105 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.930 8.316 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.241 8.540 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.410 9.683 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.748 10.067 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.499 10.481 -4.195 1.00 0.00 H new ATOM 443 N CYS A 3 -7.524 6.202 -2.665 1.00 0.00 N ATOM 444 CA CYS A 3 -7.189 4.970 -1.890 1.00 0.00 C ATOM 445 C CYS A 3 -8.439 4.485 -1.150 1.00 0.00 C ATOM 446 O CYS A 3 -8.675 3.297 -1.053 1.00 0.00 O ATOM 447 CB CYS A 3 -6.072 5.368 -0.918 1.00 0.00 C ATOM 448 SG CYS A 3 -5.786 4.035 0.265 1.00 0.00 S ATOM 0 H CYS A 3 -6.988 7.035 -2.420 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.856 4.151 -2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.156 5.580 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.345 6.282 -0.391 1.00 0.00 H new ATOM 453 N ARG A 4 -9.256 5.388 -0.645 1.00 0.00 N ATOM 454 CA ARG A 4 -10.502 4.949 0.064 1.00 0.00 C ATOM 455 C ARG A 4 -11.324 4.039 -0.856 1.00 0.00 C ATOM 456 O ARG A 4 -11.773 2.982 -0.451 1.00 0.00 O ATOM 457 CB ARG A 4 -11.279 6.236 0.369 1.00 0.00 C ATOM 458 CG ARG A 4 -12.377 5.951 1.405 1.00 0.00 C ATOM 459 CD ARG A 4 -13.525 5.173 0.751 1.00 0.00 C ATOM 460 NE ARG A 4 -14.774 5.694 1.385 1.00 0.00 N ATOM 461 CZ ARG A 4 -15.142 5.262 2.564 1.00 0.00 C ATOM 462 NH1 ARG A 4 -15.483 4.008 2.718 1.00 0.00 N ATOM 463 NH2 ARG A 4 -15.168 6.082 3.582 1.00 0.00 N ATOM 0 H ARG A 4 -9.114 6.397 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.282 4.389 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.600 7.000 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.723 6.628 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.965 5.378 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.751 6.888 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.539 5.327 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.418 4.101 0.918 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.341 6.388 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.461 3.372 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.771 3.667 3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.901 7.059 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.455 5.745 4.501 1.00 0.00 H new ATOM 477 N ARG A 5 -11.514 4.436 -2.091 1.00 0.00 N ATOM 478 CA ARG A 5 -12.297 3.582 -3.041 1.00 0.00 C ATOM 479 C ARG A 5 -11.508 2.313 -3.339 1.00 0.00 C ATOM 480 O ARG A 5 -12.044 1.218 -3.351 1.00 0.00 O ATOM 481 CB ARG A 5 -12.470 4.424 -4.307 1.00 0.00 C ATOM 482 CG ARG A 5 -13.253 5.692 -3.973 1.00 0.00 C ATOM 483 CD ARG A 5 -12.532 6.901 -4.572 1.00 0.00 C ATOM 484 NE ARG A 5 -12.735 6.800 -6.045 1.00 0.00 N ATOM 485 CZ ARG A 5 -13.329 7.774 -6.681 1.00 0.00 C ATOM 486 NH1 ARG A 5 -12.628 8.794 -7.087 1.00 0.00 N ATOM 487 NH2 ARG A 5 -14.616 7.719 -6.902 1.00 0.00 N ATOM 0 H ARG A 5 -11.163 5.310 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.264 3.282 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.495 4.684 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.996 3.849 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.266 5.624 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.342 5.805 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.941 7.833 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.471 6.889 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.412 5.976 -6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.624 8.827 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.083 9.560 -7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.155 6.916 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.081 8.479 -7.399 1.00 0.00 H new ATOM 501 N HIS A 6 -10.229 2.452 -3.561 1.00 0.00 N ATOM 502 CA HIS A 6 -9.384 1.259 -3.830 1.00 0.00 C ATOM 503 C HIS A 6 -9.464 0.313 -2.628 1.00 0.00 C ATOM 504 O HIS A 6 -9.609 -0.886 -2.777 1.00 0.00 O ATOM 505 CB HIS A 6 -7.960 1.806 -3.993 1.00 0.00 C ATOM 506 CG HIS A 6 -7.287 1.146 -5.164 1.00 0.00 C ATOM 507 ND1 HIS A 6 -6.321 1.795 -5.919 1.00 0.00 N ATOM 508 CD2 HIS A 6 -7.424 -0.103 -5.721 1.00 0.00 C ATOM 509 CE1 HIS A 6 -5.918 0.940 -6.879 1.00 0.00 C ATOM 510 NE2 HIS A 6 -6.558 -0.231 -6.802 1.00 0.00 N ATOM 0 H HIS A 6 -9.734 3.344 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.700 0.703 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.991 2.885 -4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.386 1.626 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.101 -0.869 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.169 1.173 -7.621 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.437 -1.044 -7.406 1.00 0.00 H new ATOM 518 N LEU A 7 -9.393 0.855 -1.439 1.00 0.00 N ATOM 519 CA LEU A 7 -9.477 0.010 -0.216 1.00 0.00 C ATOM 520 C LEU A 7 -10.861 -0.629 -0.123 1.00 0.00 C ATOM 521 O LEU A 7 -10.989 -1.818 0.071 1.00 0.00 O ATOM 522 CB LEU A 7 -9.261 0.977 0.956 1.00 0.00 C ATOM 523 CG LEU A 7 -8.117 0.473 1.837 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.816 1.498 2.933 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.523 -0.850 2.477 1.00 0.00 C ATOM 0 H LEU A 7 -9.280 1.854 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.743 -0.796 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.031 1.974 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.175 1.061 1.544 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.225 0.330 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.000 1.134 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.528 2.445 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.705 1.646 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.711 -1.214 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.415 -0.701 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.734 -1.582 1.697 1.00 0.00 H new ATOM 537 N ASP A 8 -11.893 0.161 -0.267 1.00 0.00 N ATOM 538 CA ASP A 8 -13.289 -0.377 -0.190 1.00 0.00 C ATOM 539 C ASP A 8 -13.468 -1.519 -1.194 1.00 0.00 C ATOM 540 O ASP A 8 -14.032 -2.554 -0.888 1.00 0.00 O ATOM 541 CB ASP A 8 -14.189 0.806 -0.572 1.00 0.00 C ATOM 542 CG ASP A 8 -15.375 0.894 0.379 1.00 0.00 C ATOM 543 OD1 ASP A 8 -16.293 0.118 0.215 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.354 1.747 1.247 1.00 0.00 O ATOM 0 H ASP A 8 -11.830 1.165 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.525 -0.774 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.617 1.733 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.543 0.687 -1.596 1.00 0.00 H new ATOM 549 N SER A 9 -12.982 -1.325 -2.385 1.00 0.00 N ATOM 550 CA SER A 9 -13.094 -2.368 -3.440 1.00 0.00 C ATOM 551 C SER A 9 -12.221 -3.570 -3.085 1.00 0.00 C ATOM 552 O SER A 9 -12.689 -4.689 -3.061 1.00 0.00 O ATOM 553 CB SER A 9 -12.589 -1.702 -4.721 1.00 0.00 C ATOM 554 OG SER A 9 -13.268 -0.460 -4.913 1.00 0.00 O ATOM 0 H SER A 9 -12.503 -0.473 -2.678 1.00 0.00 H new ATOM 0 HA SER A 9 -14.115 -2.733 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.514 -1.534 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.759 -2.357 -5.575 1.00 0.00 H new ATOM 0 HG SER A 9 -12.686 0.277 -4.634 1.00 0.00 H new ATOM 560 N VAL A 10 -10.959 -3.351 -2.816 1.00 0.00 N ATOM 561 CA VAL A 10 -10.061 -4.495 -2.470 1.00 0.00 C ATOM 562 C VAL A 10 -10.577 -5.199 -1.213 1.00 0.00 C ATOM 563 O VAL A 10 -10.645 -6.408 -1.161 1.00 0.00 O ATOM 564 CB VAL A 10 -8.682 -3.872 -2.222 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.710 -4.934 -1.700 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.134 -3.293 -3.529 1.00 0.00 C ATOM 0 H VAL A 10 -10.513 -2.434 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.020 -5.244 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.785 -3.079 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.734 -4.480 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.089 -5.346 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.614 -5.732 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.154 -2.851 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.043 -4.088 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.814 -2.527 -3.901 1.00 0.00 H new ATOM 576 N LEU A 11 -10.949 -4.453 -0.209 1.00 0.00 N ATOM 577 CA LEU A 11 -11.466 -5.087 1.039 1.00 0.00 C ATOM 578 C LEU A 11 -12.675 -5.947 0.713 1.00 0.00 C ATOM 579 O LEU A 11 -12.761 -7.096 1.101 1.00 0.00 O ATOM 580 CB LEU A 11 -11.906 -3.922 1.917 1.00 0.00 C ATOM 581 CG LEU A 11 -10.850 -3.606 2.969 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.010 -4.547 4.160 1.00 0.00 C ATOM 583 CD2 LEU A 11 -9.443 -3.770 2.389 1.00 0.00 C ATOM 0 H LEU A 11 -10.918 -3.434 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.719 -5.718 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.084 -3.042 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.850 -4.165 2.405 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.985 -2.573 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.253 -4.317 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.001 -4.419 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.890 -5.578 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.704 -3.540 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.306 -4.797 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.315 -3.090 1.547 1.00 0.00 H new ATOM 595 N GLN A 12 -13.624 -5.393 0.018 1.00 0.00 N ATOM 596 CA GLN A 12 -14.844 -6.192 -0.318 1.00 0.00 C ATOM 597 C GLN A 12 -14.508 -7.307 -1.325 1.00 0.00 C ATOM 598 O GLN A 12 -14.955 -8.431 -1.185 1.00 0.00 O ATOM 599 CB GLN A 12 -15.829 -5.193 -0.929 1.00 0.00 C ATOM 600 CG GLN A 12 -16.487 -4.389 0.192 1.00 0.00 C ATOM 601 CD GLN A 12 -17.599 -3.520 -0.389 1.00 0.00 C ATOM 602 OE1 GLN A 12 -18.747 -3.919 -0.413 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.310 -2.347 -0.869 1.00 0.00 N ATOM 0 H GLN A 12 -13.615 -4.435 -0.331 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.258 -6.683 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.309 -4.525 -1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.587 -5.719 -1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.894 -5.062 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.745 -3.764 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.347 -2.011 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.046 -1.763 -1.265 1.00 0.00 H new ATOM 612 N GLN A 13 -13.749 -6.995 -2.343 1.00 0.00 N ATOM 613 CA GLN A 13 -13.392 -8.017 -3.384 1.00 0.00 C ATOM 614 C GLN A 13 -12.363 -9.057 -2.898 1.00 0.00 C ATOM 615 O GLN A 13 -12.358 -10.164 -3.376 1.00 0.00 O ATOM 616 CB GLN A 13 -12.800 -7.228 -4.558 1.00 0.00 C ATOM 617 CG GLN A 13 -13.917 -6.784 -5.507 1.00 0.00 C ATOM 618 CD GLN A 13 -13.358 -5.763 -6.502 1.00 0.00 C ATOM 619 OE1 GLN A 13 -12.419 -6.048 -7.226 1.00 0.00 O ATOM 620 NE2 GLN A 13 -13.887 -4.574 -6.568 1.00 0.00 N ATOM 0 H GLN A 13 -13.355 -6.068 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.283 -8.586 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.260 -6.357 -4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.079 -7.845 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.321 -7.645 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.738 -6.345 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.673 -4.331 -5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.516 -3.886 -7.223 1.00 0.00 H new ATOM 629 N LEU A 14 -11.444 -8.703 -2.032 1.00 0.00 N ATOM 630 CA LEU A 14 -10.362 -9.679 -1.636 1.00 0.00 C ATOM 631 C LEU A 14 -10.875 -11.071 -1.224 1.00 0.00 C ATOM 632 O LEU A 14 -10.236 -12.062 -1.529 1.00 0.00 O ATOM 633 CB LEU A 14 -9.586 -9.016 -0.486 1.00 0.00 C ATOM 634 CG LEU A 14 -10.433 -8.975 0.781 1.00 0.00 C ATOM 635 CD1 LEU A 14 -10.273 -10.284 1.560 1.00 0.00 C ATOM 636 CD2 LEU A 14 -9.966 -7.818 1.662 1.00 0.00 C ATOM 0 H LEU A 14 -11.390 -7.789 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.734 -9.879 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.665 -9.567 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.299 -8.004 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.479 -8.841 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.881 -10.246 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.597 -11.119 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.226 -10.420 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.569 -7.785 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.919 -7.963 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.076 -6.879 1.119 1.00 0.00 H new ATOM 648 N GLN A 15 -11.976 -11.189 -0.529 1.00 0.00 N ATOM 649 CA GLN A 15 -12.427 -12.565 -0.127 1.00 0.00 C ATOM 650 C GLN A 15 -13.117 -13.304 -1.282 1.00 0.00 C ATOM 651 O GLN A 15 -13.143 -14.518 -1.316 1.00 0.00 O ATOM 652 CB GLN A 15 -13.363 -12.382 1.070 1.00 0.00 C ATOM 653 CG GLN A 15 -12.680 -12.920 2.335 1.00 0.00 C ATOM 654 CD GLN A 15 -13.740 -13.303 3.370 1.00 0.00 C ATOM 655 OE1 GLN A 15 -14.586 -12.501 3.707 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.732 -14.497 3.888 1.00 0.00 N ATOM 0 H GLN A 15 -12.572 -10.419 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.573 -13.187 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.609 -11.328 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.301 -12.910 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.068 -13.788 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.011 -12.165 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.021 -15.171 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.437 -14.759 4.577 1.00 0.00 H new ATOM 665 N THR A 16 -13.645 -12.594 -2.231 1.00 0.00 N ATOM 666 CA THR A 16 -14.298 -13.241 -3.395 1.00 0.00 C ATOM 667 C THR A 16 -13.269 -13.277 -4.522 1.00 0.00 C ATOM 668 O THR A 16 -13.109 -14.260 -5.225 1.00 0.00 O ATOM 669 CB THR A 16 -15.455 -12.302 -3.736 1.00 0.00 C ATOM 670 OG1 THR A 16 -16.510 -12.465 -2.787 1.00 0.00 O ATOM 671 CG2 THR A 16 -15.968 -12.603 -5.139 1.00 0.00 C ATOM 0 H THR A 16 -13.652 -11.574 -2.250 1.00 0.00 H new ATOM 0 HA THR A 16 -14.652 -14.257 -3.220 1.00 0.00 H new ATOM 0 HB THR A 16 -15.101 -11.272 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.247 -11.859 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 16 -16.793 -11.931 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.163 -12.459 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.316 -13.635 -5.186 1.00 0.00 H new ATOM 679 N GLU A 17 -12.538 -12.207 -4.644 1.00 0.00 N ATOM 680 CA GLU A 17 -11.462 -12.118 -5.654 1.00 0.00 C ATOM 681 C GLU A 17 -10.186 -12.558 -4.960 1.00 0.00 C ATOM 682 O GLU A 17 -9.263 -11.791 -4.769 1.00 0.00 O ATOM 683 CB GLU A 17 -11.399 -10.646 -6.084 1.00 0.00 C ATOM 684 CG GLU A 17 -12.798 -10.165 -6.505 1.00 0.00 C ATOM 685 CD GLU A 17 -13.113 -10.670 -7.908 1.00 0.00 C ATOM 686 OE1 GLU A 17 -12.698 -10.033 -8.857 1.00 0.00 O ATOM 687 OE2 GLU A 17 -13.761 -11.694 -8.012 1.00 0.00 O ATOM 0 H GLU A 17 -12.648 -11.372 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.620 -12.741 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.026 -10.034 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.700 -10.529 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.546 -10.529 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.841 -9.076 -6.482 1.00 0.00 H new ATOM 694 N VAL A 18 -10.170 -13.787 -4.534 1.00 0.00 N ATOM 695 CA VAL A 18 -8.989 -14.332 -3.783 1.00 0.00 C ATOM 696 C VAL A 18 -7.671 -13.987 -4.481 1.00 0.00 C ATOM 697 O VAL A 18 -6.631 -13.912 -3.847 1.00 0.00 O ATOM 698 CB VAL A 18 -9.209 -15.857 -3.741 1.00 0.00 C ATOM 699 CG1 VAL A 18 -7.867 -16.596 -3.635 1.00 0.00 C ATOM 700 CG2 VAL A 18 -10.075 -16.207 -2.526 1.00 0.00 C ATOM 0 H VAL A 18 -10.931 -14.452 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.916 -13.901 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.707 -16.165 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.045 -17.671 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.249 -16.353 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.354 -16.289 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.234 -17.285 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.571 -15.885 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.037 -15.701 -2.607 1.00 0.00 H new ATOM 710 N TYR A 19 -7.692 -13.736 -5.754 1.00 0.00 N ATOM 711 CA TYR A 19 -6.425 -13.360 -6.435 1.00 0.00 C ATOM 712 C TYR A 19 -5.937 -11.988 -5.962 1.00 0.00 C ATOM 713 O TYR A 19 -4.859 -11.540 -6.313 1.00 0.00 O ATOM 714 CB TYR A 19 -6.712 -13.387 -7.938 1.00 0.00 C ATOM 715 CG TYR A 19 -7.656 -12.276 -8.335 1.00 0.00 C ATOM 716 CD1 TYR A 19 -7.182 -10.964 -8.465 1.00 0.00 C ATOM 717 CD2 TYR A 19 -9.002 -12.560 -8.591 1.00 0.00 C ATOM 718 CE1 TYR A 19 -8.054 -9.940 -8.846 1.00 0.00 C ATOM 719 CE2 TYR A 19 -9.873 -11.535 -8.971 1.00 0.00 C ATOM 720 CZ TYR A 19 -9.399 -10.224 -9.098 1.00 0.00 C ATOM 721 OH TYR A 19 -10.258 -9.212 -9.475 1.00 0.00 O ATOM 0 H TYR A 19 -8.520 -13.773 -6.349 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.622 -14.057 -6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.778 -13.289 -8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.144 -14.350 -8.211 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.143 -10.744 -8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.368 -13.572 -8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.688 -8.929 -8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.912 -11.755 -9.167 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.164 -9.418 -9.162 1.00 0.00 H new ATOM 731 N ARG A 20 -6.710 -11.357 -5.136 1.00 0.00 N ATOM 732 CA ARG A 20 -6.335 -10.039 -4.565 1.00 0.00 C ATOM 733 C ARG A 20 -5.025 -10.180 -3.803 1.00 0.00 C ATOM 734 O ARG A 20 -4.163 -9.327 -3.847 1.00 0.00 O ATOM 735 CB ARG A 20 -7.491 -9.682 -3.628 1.00 0.00 C ATOM 736 CG ARG A 20 -7.086 -8.520 -2.728 1.00 0.00 C ATOM 737 CD ARG A 20 -6.433 -9.076 -1.455 1.00 0.00 C ATOM 738 NE ARG A 20 -5.101 -8.401 -1.345 1.00 0.00 N ATOM 739 CZ ARG A 20 -4.364 -8.554 -0.265 1.00 0.00 C ATOM 740 NH1 ARG A 20 -4.923 -8.858 0.881 1.00 0.00 N ATOM 741 NH2 ARG A 20 -3.067 -8.404 -0.336 1.00 0.00 N ATOM 0 H ARG A 20 -7.614 -11.709 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.183 -9.266 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.373 -9.413 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.760 -10.547 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.391 -7.863 -3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.959 -7.920 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.048 -8.870 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.318 -10.158 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.763 -7.819 -2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.934 -8.977 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.347 -8.975 1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.629 -8.169 -1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.493 -8.522 0.499 1.00 0.00 H new ATOM 755 N GLY A 21 -4.876 -11.258 -3.112 1.00 0.00 N ATOM 756 CA GLY A 21 -3.627 -11.494 -2.348 1.00 0.00 C ATOM 757 C GLY A 21 -2.875 -12.670 -2.978 1.00 0.00 C ATOM 758 O GLY A 21 -1.676 -12.793 -2.843 1.00 0.00 O ATOM 0 H GLY A 21 -5.572 -12.000 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.004 -10.599 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.858 -11.710 -1.305 1.00 0.00 H new ATOM 762 N ALA A 22 -3.588 -13.551 -3.641 1.00 0.00 N ATOM 763 CA ALA A 22 -2.942 -14.746 -4.252 1.00 0.00 C ATOM 764 C ALA A 22 -2.298 -14.482 -5.628 1.00 0.00 C ATOM 765 O ALA A 22 -1.443 -15.245 -6.032 1.00 0.00 O ATOM 766 CB ALA A 22 -4.070 -15.773 -4.391 1.00 0.00 C ATOM 0 H ALA A 22 -4.596 -13.488 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.116 -15.079 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.677 -16.687 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.482 -15.996 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.855 -15.367 -5.030 1.00 0.00 H new ATOM 772 N GLN A 23 -2.699 -13.481 -6.396 1.00 0.00 N ATOM 773 CA GLN A 23 -2.044 -13.346 -7.744 1.00 0.00 C ATOM 774 C GLN A 23 -1.138 -12.118 -7.892 1.00 0.00 C ATOM 775 O GLN A 23 0.058 -12.250 -8.044 1.00 0.00 O ATOM 776 CB GLN A 23 -3.210 -13.260 -8.735 1.00 0.00 C ATOM 777 CG GLN A 23 -3.514 -14.648 -9.303 1.00 0.00 C ATOM 778 CD GLN A 23 -2.397 -15.062 -10.265 1.00 0.00 C ATOM 779 OE1 GLN A 23 -1.762 -16.079 -10.074 1.00 0.00 O ATOM 780 NE2 GLN A 23 -2.124 -14.314 -11.296 1.00 0.00 N ATOM 0 H GLN A 23 -3.411 -12.789 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.377 -14.192 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.093 -12.860 -8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.961 -12.573 -9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.599 -15.373 -8.494 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.472 -14.638 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.655 -13.459 -11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.379 -14.584 -11.939 1.00 0.00 H new ATOM 789 N THR A 24 -1.697 -10.947 -7.876 1.00 0.00 N ATOM 790 CA THR A 24 -0.866 -9.691 -8.033 1.00 0.00 C ATOM 791 C THR A 24 -1.676 -8.434 -7.733 1.00 0.00 C ATOM 792 O THR A 24 -1.504 -7.405 -8.366 1.00 0.00 O ATOM 793 CB THR A 24 -0.373 -9.659 -9.466 1.00 0.00 C ATOM 794 OG1 THR A 24 -1.121 -10.564 -10.289 1.00 0.00 O ATOM 795 CG2 THR A 24 1.096 -10.035 -9.444 1.00 0.00 C ATOM 0 H THR A 24 -2.698 -10.787 -7.761 1.00 0.00 H new ATOM 0 HA THR A 24 -0.038 -9.708 -7.325 1.00 0.00 H new ATOM 0 HB THR A 24 -0.507 -8.665 -9.892 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.785 -10.524 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.490 -10.024 -10.460 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.646 -9.319 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.210 -11.034 -9.022 1.00 0.00 H new ATOM 803 N LEU A 25 -2.566 -8.507 -6.810 1.00 0.00 N ATOM 804 CA LEU A 25 -3.415 -7.318 -6.519 1.00 0.00 C ATOM 805 C LEU A 25 -2.768 -6.416 -5.484 1.00 0.00 C ATOM 806 O LEU A 25 -1.877 -6.804 -4.759 1.00 0.00 O ATOM 807 CB LEU A 25 -4.776 -7.836 -6.053 1.00 0.00 C ATOM 808 CG LEU A 25 -5.834 -7.585 -7.151 1.00 0.00 C ATOM 809 CD1 LEU A 25 -7.234 -7.868 -6.610 1.00 0.00 C ATOM 810 CD2 LEU A 25 -5.784 -6.126 -7.612 1.00 0.00 C ATOM 0 H LEU A 25 -2.753 -9.331 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.535 -6.705 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.714 -8.901 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.070 -7.335 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.616 -8.248 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.970 -7.687 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.296 -8.907 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.436 -7.212 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.534 -5.963 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.987 -5.470 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.795 -5.905 -8.014 1.00 0.00 H new ATOM 822 N TYR A 26 -3.187 -5.198 -5.476 1.00 0.00 N ATOM 823 CA TYR A 26 -2.594 -4.174 -4.569 1.00 0.00 C ATOM 824 C TYR A 26 -3.535 -3.763 -3.417 1.00 0.00 C ATOM 825 O TYR A 26 -4.719 -3.551 -3.604 1.00 0.00 O ATOM 826 CB TYR A 26 -2.331 -2.991 -5.511 1.00 0.00 C ATOM 827 CG TYR A 26 -2.171 -1.725 -4.722 1.00 0.00 C ATOM 828 CD1 TYR A 26 -0.961 -1.448 -4.091 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.240 -0.836 -4.619 1.00 0.00 C ATOM 830 CE1 TYR A 26 -0.817 -0.273 -3.351 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.100 0.337 -3.877 1.00 0.00 C ATOM 832 CZ TYR A 26 -1.888 0.619 -3.243 1.00 0.00 C ATOM 833 OH TYR A 26 -1.750 1.772 -2.499 1.00 0.00 O ATOM 0 H TYR A 26 -3.937 -4.849 -6.073 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.704 -4.547 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.432 -3.178 -6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.156 -2.887 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.136 -2.140 -4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.175 -1.055 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.121 -0.053 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.928 1.026 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.303 2.481 -2.888 1.00 0.00 H new ATOM 843 N VAL A 27 -2.989 -3.617 -2.227 1.00 0.00 N ATOM 844 CA VAL A 27 -3.800 -3.175 -1.045 1.00 0.00 C ATOM 845 C VAL A 27 -3.279 -1.798 -0.567 1.00 0.00 C ATOM 846 O VAL A 27 -2.125 -1.674 -0.183 1.00 0.00 O ATOM 847 CB VAL A 27 -3.591 -4.262 0.021 1.00 0.00 C ATOM 848 CG1 VAL A 27 -3.751 -3.669 1.426 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.637 -5.358 -0.182 1.00 0.00 C ATOM 0 H VAL A 27 -2.004 -3.788 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.860 -3.057 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.586 -4.672 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.600 -4.451 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.014 -2.880 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.753 -3.254 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.499 -6.136 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.635 -4.931 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.524 -5.789 -1.177 1.00 0.00 H new ATOM 859 N PRO A 28 -4.134 -0.802 -0.652 1.00 0.00 N ATOM 860 CA PRO A 28 -3.766 0.587 -0.280 1.00 0.00 C ATOM 861 C PRO A 28 -4.198 1.012 1.145 1.00 0.00 C ATOM 862 O PRO A 28 -5.226 0.609 1.652 1.00 0.00 O ATOM 863 CB PRO A 28 -4.571 1.397 -1.291 1.00 0.00 C ATOM 864 CG PRO A 28 -5.745 0.531 -1.682 1.00 0.00 C ATOM 865 CD PRO A 28 -5.518 -0.852 -1.122 1.00 0.00 C ATOM 0 HA PRO A 28 -2.684 0.721 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.908 2.338 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.964 1.647 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.673 0.951 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.843 0.491 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.210 -1.076 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.657 -1.621 -1.881 1.00 0.00 H new ATOM 873 N ASN A 29 -3.447 1.912 1.736 1.00 0.00 N ATOM 874 CA ASN A 29 -3.819 2.503 3.074 1.00 0.00 C ATOM 875 C ASN A 29 -4.131 3.970 2.784 1.00 0.00 C ATOM 876 O ASN A 29 -3.472 4.574 1.957 1.00 0.00 O ATOM 877 CB ASN A 29 -2.611 2.378 4.015 1.00 0.00 C ATOM 878 CG ASN A 29 -1.327 2.746 3.286 1.00 0.00 C ATOM 879 OD1 ASN A 29 -0.805 3.834 3.443 1.00 0.00 O ATOM 880 ND2 ASN A 29 -0.783 1.874 2.500 1.00 0.00 N ATOM 0 H ASN A 29 -2.576 2.271 1.345 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.665 2.005 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.746 3.030 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.542 1.358 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.084 2.098 2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.221 0.962 2.369 1.00 0.00 H new ATOM 887 N CYS A 30 -5.144 4.553 3.366 1.00 0.00 N ATOM 888 CA CYS A 30 -5.456 5.960 2.971 1.00 0.00 C ATOM 889 C CYS A 30 -5.415 6.971 4.120 1.00 0.00 C ATOM 890 O CYS A 30 -5.810 6.705 5.239 1.00 0.00 O ATOM 891 CB CYS A 30 -6.881 5.909 2.407 1.00 0.00 C ATOM 892 SG CYS A 30 -7.222 4.287 1.663 1.00 0.00 S ATOM 0 H CYS A 30 -5.751 4.137 4.073 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.699 6.303 2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.599 6.108 3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.009 6.692 1.659 1.00 0.00 H new ATOM 897 N ASP A 31 -4.978 8.158 3.784 1.00 0.00 N ATOM 898 CA ASP A 31 -4.925 9.303 4.739 1.00 0.00 C ATOM 899 C ASP A 31 -6.347 9.820 4.974 1.00 0.00 C ATOM 900 O ASP A 31 -7.280 9.386 4.320 1.00 0.00 O ATOM 901 CB ASP A 31 -4.122 10.379 3.992 1.00 0.00 C ATOM 902 CG ASP A 31 -3.513 11.393 4.961 1.00 0.00 C ATOM 903 OD1 ASP A 31 -3.989 11.498 6.078 1.00 0.00 O ATOM 904 OD2 ASP A 31 -2.583 12.067 4.556 1.00 0.00 O ATOM 0 H ASP A 31 -4.643 8.387 2.848 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.488 9.035 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.329 9.907 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.771 10.894 3.284 1.00 0.00 H new ATOM 909 N HIS A 32 -6.517 10.763 5.864 1.00 0.00 N ATOM 910 CA HIS A 32 -7.878 11.338 6.106 1.00 0.00 C ATOM 911 C HIS A 32 -8.485 11.837 4.780 1.00 0.00 C ATOM 912 O HIS A 32 -9.683 11.947 4.645 1.00 0.00 O ATOM 913 CB HIS A 32 -7.695 12.477 7.124 1.00 0.00 C ATOM 914 CG HIS A 32 -6.933 13.634 6.534 1.00 0.00 C ATOM 915 ND1 HIS A 32 -5.548 13.661 6.499 1.00 0.00 N ATOM 916 CD2 HIS A 32 -7.346 14.833 6.011 1.00 0.00 C ATOM 917 CE1 HIS A 32 -5.182 14.847 5.982 1.00 0.00 C ATOM 918 NE2 HIS A 32 -6.238 15.599 5.665 1.00 0.00 N ATOM 0 H HIS A 32 -5.772 11.162 6.436 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.571 10.595 6.500 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.672 12.821 7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.166 12.101 7.999 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -4.922 12.918 6.808 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.375 15.136 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.156 15.154 5.840 1.00 0.00 H new ATOM 926 N ARG A 33 -7.675 12.109 3.789 1.00 0.00 N ATOM 927 CA ARG A 33 -8.233 12.549 2.467 1.00 0.00 C ATOM 928 C ARG A 33 -8.469 11.324 1.565 1.00 0.00 C ATOM 929 O ARG A 33 -8.689 11.456 0.377 1.00 0.00 O ATOM 930 CB ARG A 33 -7.222 13.508 1.822 1.00 0.00 C ATOM 931 CG ARG A 33 -5.805 12.982 2.005 1.00 0.00 C ATOM 932 CD ARG A 33 -5.173 13.676 3.212 1.00 0.00 C ATOM 933 NE ARG A 33 -4.185 14.649 2.652 1.00 0.00 N ATOM 934 CZ ARG A 33 -3.370 15.293 3.452 1.00 0.00 C ATOM 935 NH1 ARG A 33 -2.488 14.634 4.157 1.00 0.00 N ATOM 936 NH2 ARG A 33 -3.456 16.594 3.555 1.00 0.00 N ATOM 0 H ARG A 33 -6.658 12.047 3.833 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.189 13.055 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.442 13.619 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.311 14.497 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.820 11.903 2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.214 13.171 1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.929 14.186 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.683 12.954 3.866 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.145 14.812 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.434 13.618 4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.854 15.136 4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.155 17.103 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.824 17.099 4.176 1.00 0.00 H new ATOM 950 N GLY A 34 -8.412 10.129 2.113 1.00 0.00 N ATOM 951 CA GLY A 34 -8.619 8.902 1.294 1.00 0.00 C ATOM 952 C GLY A 34 -7.479 8.678 0.305 1.00 0.00 C ATOM 953 O GLY A 34 -7.522 7.747 -0.466 1.00 0.00 O ATOM 0 H GLY A 34 -8.229 9.957 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.704 8.037 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.560 8.983 0.750 1.00 0.00 H new ATOM 957 N PHE A 35 -6.465 9.493 0.316 1.00 0.00 N ATOM 958 CA PHE A 35 -5.325 9.267 -0.626 1.00 0.00 C ATOM 959 C PHE A 35 -4.385 8.214 -0.015 1.00 0.00 C ATOM 960 O PHE A 35 -4.423 7.975 1.174 1.00 0.00 O ATOM 961 CB PHE A 35 -4.623 10.620 -0.738 1.00 0.00 C ATOM 962 CG PHE A 35 -5.103 11.334 -1.981 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.323 12.024 -1.969 1.00 0.00 C ATOM 964 CD2 PHE A 35 -4.333 11.298 -3.150 1.00 0.00 C ATOM 965 CE1 PHE A 35 -6.770 12.675 -3.125 1.00 0.00 C ATOM 966 CE2 PHE A 35 -4.781 11.949 -4.305 1.00 0.00 C ATOM 967 CZ PHE A 35 -5.998 12.639 -4.292 1.00 0.00 C ATOM 0 H PHE A 35 -6.371 10.302 0.930 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.642 8.906 -1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.831 11.224 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.543 10.479 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.918 12.053 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.392 10.767 -3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.711 13.205 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.187 11.919 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.342 13.144 -5.183 1.00 0.00 H new ATOM 977 N TYR A 36 -3.530 7.603 -0.800 1.00 0.00 N ATOM 978 CA TYR A 36 -2.576 6.588 -0.227 1.00 0.00 C ATOM 979 C TYR A 36 -1.591 7.362 0.645 1.00 0.00 C ATOM 980 O TYR A 36 -0.782 8.108 0.132 1.00 0.00 O ATOM 981 CB TYR A 36 -1.850 5.952 -1.429 1.00 0.00 C ATOM 982 CG TYR A 36 -2.840 5.503 -2.489 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.435 4.243 -2.403 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.149 6.346 -3.566 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.343 3.827 -3.387 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.055 5.932 -4.548 1.00 0.00 C ATOM 987 CZ TYR A 36 -4.653 4.669 -4.462 1.00 0.00 C ATOM 988 OH TYR A 36 -5.551 4.250 -5.431 1.00 0.00 O ATOM 0 H TYR A 36 -3.448 7.758 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.063 5.814 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.153 6.671 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.261 5.099 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.196 3.588 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.686 7.319 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.805 2.853 -3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.293 6.587 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.602 3.271 -5.428 1.00 0.00 H new ATOM 998 N ARG A 37 -1.699 7.286 1.949 1.00 0.00 N ATOM 999 CA ARG A 37 -0.796 8.141 2.769 1.00 0.00 C ATOM 1000 C ARG A 37 0.642 7.626 2.919 1.00 0.00 C ATOM 1001 O ARG A 37 1.579 8.285 2.513 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.488 8.206 4.139 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.500 8.707 5.189 1.00 0.00 C ATOM 1004 CD ARG A 37 -1.243 9.277 6.401 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.091 10.755 6.291 1.00 0.00 N ATOM 1006 CZ ARG A 37 -0.978 11.487 7.369 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -2.012 11.664 8.145 1.00 0.00 N ATOM 1008 NH2 ARG A 37 0.171 12.025 7.671 1.00 0.00 N ATOM 0 H ARG A 37 -2.349 6.691 2.463 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.663 9.106 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.351 8.870 4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.860 7.220 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.149 7.890 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.142 9.474 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.294 8.987 6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.819 8.906 7.334 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.075 11.197 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.906 11.232 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.927 12.234 8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.979 11.875 7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.262 12.596 8.511 1.00 0.00 H new ATOM 1022 N LYS A 38 0.839 6.509 3.543 1.00 0.00 N ATOM 1023 CA LYS A 38 2.240 6.029 3.746 1.00 0.00 C ATOM 1024 C LYS A 38 2.737 4.950 2.777 1.00 0.00 C ATOM 1025 O LYS A 38 3.854 5.010 2.290 1.00 0.00 O ATOM 1026 CB LYS A 38 2.235 5.460 5.160 1.00 0.00 C ATOM 1027 CG LYS A 38 3.655 5.069 5.551 1.00 0.00 C ATOM 1028 CD LYS A 38 3.629 4.169 6.793 1.00 0.00 C ATOM 1029 CE LYS A 38 4.494 4.781 7.903 1.00 0.00 C ATOM 1030 NZ LYS A 38 3.763 5.996 8.361 1.00 0.00 N ATOM 0 H LYS A 38 0.107 5.907 3.921 1.00 0.00 H new ATOM 0 HA LYS A 38 2.920 6.863 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.843 6.198 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.579 4.591 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.138 4.548 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.245 5.963 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.604 4.049 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.998 3.175 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.635 4.077 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.485 5.038 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.022 6.206 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.018 6.803 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.738 5.828 8.301 1.00 0.00 H new ATOM 1044 N ARG A 39 1.976 3.902 2.609 1.00 0.00 N ATOM 1045 CA ARG A 39 2.472 2.751 1.797 1.00 0.00 C ATOM 1046 C ARG A 39 1.654 2.415 0.556 1.00 0.00 C ATOM 1047 O ARG A 39 0.554 2.883 0.345 1.00 0.00 O ATOM 1048 CB ARG A 39 2.366 1.578 2.773 1.00 0.00 C ATOM 1049 CG ARG A 39 3.695 0.832 2.877 1.00 0.00 C ATOM 1050 CD ARG A 39 3.493 -0.407 3.756 1.00 0.00 C ATOM 1051 NE ARG A 39 2.880 0.102 5.023 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.827 -0.491 5.541 1.00 0.00 C ATOM 1053 NH1 ARG A 39 0.815 -0.816 4.777 1.00 0.00 N ATOM 1054 NH2 ARG A 39 1.788 -0.755 6.820 1.00 0.00 N ATOM 0 H ARG A 39 1.038 3.792 2.996 1.00 0.00 H new ATOM 0 HA ARG A 39 3.464 2.980 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.072 1.944 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.585 0.893 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.043 0.540 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.460 1.480 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.842 -1.133 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.441 -0.909 3.952 1.00 0.00 H new ATOM 0 HE ARG A 39 3.282 0.916 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.843 -0.609 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.001 -1.276 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.575 -0.501 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.971 -1.215 7.221 1.00 0.00 H new ATOM 1068 N GLN A 40 2.178 1.472 -0.166 1.00 0.00 N ATOM 1069 CA GLN A 40 1.496 0.867 -1.334 1.00 0.00 C ATOM 1070 C GLN A 40 1.868 -0.616 -1.267 1.00 0.00 C ATOM 1071 O GLN A 40 3.040 -0.948 -1.228 1.00 0.00 O ATOM 1072 CB GLN A 40 2.077 1.522 -2.590 1.00 0.00 C ATOM 1073 CG GLN A 40 1.233 2.741 -2.984 1.00 0.00 C ATOM 1074 CD GLN A 40 0.592 2.510 -4.361 1.00 0.00 C ATOM 1075 OE1 GLN A 40 0.916 1.563 -5.052 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.314 3.339 -4.790 1.00 0.00 N ATOM 0 H GLN A 40 3.100 1.077 0.018 1.00 0.00 H new ATOM 0 HA GLN A 40 0.414 1.000 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.108 1.826 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.097 0.803 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.458 2.915 -2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.858 3.634 -3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.590 4.135 -4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.748 3.193 -5.701 1.00 0.00 H new ATOM 1085 N CYS A 41 0.930 -1.519 -1.203 1.00 0.00 N ATOM 1086 CA CYS A 41 1.340 -2.950 -1.097 1.00 0.00 C ATOM 1087 C CYS A 41 0.760 -3.782 -2.227 1.00 0.00 C ATOM 1088 O CYS A 41 -0.403 -3.670 -2.561 1.00 0.00 O ATOM 1089 CB CYS A 41 0.777 -3.429 0.237 1.00 0.00 C ATOM 1090 SG CYS A 41 1.903 -2.955 1.574 1.00 0.00 S ATOM 0 H CYS A 41 -0.074 -1.339 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 41 2.423 -3.052 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.208 -2.994 0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.649 -4.511 0.222 1.00 0.00 H new ATOM 1095 N ARG A 42 1.552 -4.657 -2.774 1.00 0.00 N ATOM 1096 CA ARG A 42 1.060 -5.549 -3.853 1.00 0.00 C ATOM 1097 C ARG A 42 1.015 -6.967 -3.307 1.00 0.00 C ATOM 1098 O ARG A 42 1.712 -7.290 -2.366 1.00 0.00 O ATOM 1099 CB ARG A 42 2.085 -5.437 -4.983 1.00 0.00 C ATOM 1100 CG ARG A 42 1.632 -4.369 -5.988 1.00 0.00 C ATOM 1101 CD ARG A 42 0.913 -5.032 -7.173 1.00 0.00 C ATOM 1102 NE ARG A 42 0.181 -3.926 -7.857 1.00 0.00 N ATOM 1103 CZ ARG A 42 -0.118 -4.030 -9.127 1.00 0.00 C ATOM 1104 NH1 ARG A 42 -0.729 -5.104 -9.566 1.00 0.00 N ATOM 1105 NH2 ARG A 42 0.201 -3.063 -9.954 1.00 0.00 N ATOM 0 H ARG A 42 2.529 -4.793 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 42 0.064 -5.284 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.062 -5.176 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.195 -6.399 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.966 -3.658 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.494 -3.805 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.624 -5.509 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.226 -5.807 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.086 -3.091 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.970 -5.855 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.964 -5.189 -10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.681 -2.233 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.031 -3.142 -10.944 1.00 0.00 H new ATOM 1119 N SER A 43 0.208 -7.807 -3.877 1.00 0.00 N ATOM 1120 CA SER A 43 0.125 -9.211 -3.379 1.00 0.00 C ATOM 1121 C SER A 43 0.369 -10.143 -4.546 1.00 0.00 C ATOM 1122 O SER A 43 -0.368 -10.109 -5.518 1.00 0.00 O ATOM 1123 CB SER A 43 -1.301 -9.377 -2.857 1.00 0.00 C ATOM 1124 OG SER A 43 -1.841 -8.110 -2.468 1.00 0.00 O ATOM 0 H SER A 43 -0.400 -7.588 -4.666 1.00 0.00 H new ATOM 0 HA SER A 43 0.856 -9.432 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.927 -9.825 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.307 -10.058 -2.006 1.00 0.00 H new ATOM 0 HG SER A 43 -2.212 -7.657 -3.254 1.00 0.00 H new ATOM 1130 N SER A 44 1.390 -10.956 -4.474 1.00 0.00 N ATOM 1131 CA SER A 44 1.700 -11.869 -5.614 1.00 0.00 C ATOM 1132 C SER A 44 1.837 -13.327 -5.157 1.00 0.00 C ATOM 1133 O SER A 44 1.963 -13.616 -3.981 1.00 0.00 O ATOM 1134 CB SER A 44 3.042 -11.367 -6.172 1.00 0.00 C ATOM 1135 OG SER A 44 3.150 -9.946 -6.021 1.00 0.00 O ATOM 0 H SER A 44 2.022 -11.027 -3.676 1.00 0.00 H new ATOM 0 HA SER A 44 0.900 -11.856 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.865 -11.857 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.127 -11.634 -7.225 1.00 0.00 H new ATOM 0 HG SER A 44 3.425 -9.734 -5.104 1.00 0.00 H new ATOM 1141 N GLN A 45 1.829 -14.250 -6.086 1.00 0.00 N ATOM 1142 CA GLN A 45 1.980 -15.698 -5.723 1.00 0.00 C ATOM 1143 C GLN A 45 3.244 -15.893 -4.878 1.00 0.00 C ATOM 1144 O GLN A 45 3.204 -16.494 -3.823 1.00 0.00 O ATOM 1145 CB GLN A 45 2.121 -16.438 -7.054 1.00 0.00 C ATOM 1146 CG GLN A 45 0.743 -16.611 -7.693 1.00 0.00 C ATOM 1147 CD GLN A 45 0.650 -17.980 -8.368 1.00 0.00 C ATOM 1148 OE1 GLN A 45 1.245 -18.943 -7.918 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -0.076 -18.111 -9.438 1.00 0.00 N ATOM 0 H GLN A 45 1.724 -14.065 -7.084 1.00 0.00 H new ATOM 0 HA GLN A 45 1.134 -16.065 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.776 -15.881 -7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.583 -17.412 -6.893 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.034 -16.517 -6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.571 -15.822 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.575 -17.306 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.146 -19.018 -9.899 1.00 0.00 H new ATOM 1158 N GLY A 46 4.364 -15.386 -5.337 1.00 0.00 N ATOM 1159 CA GLY A 46 5.635 -15.532 -4.564 1.00 0.00 C ATOM 1160 C GLY A 46 5.428 -14.977 -3.156 1.00 0.00 C ATOM 1161 O GLY A 46 5.780 -15.603 -2.172 1.00 0.00 O ATOM 0 H GLY A 46 4.451 -14.876 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.928 -16.581 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.443 -14.998 -5.064 1.00 0.00 H new ATOM 1165 N GLN A 47 4.842 -13.816 -3.057 1.00 0.00 N ATOM 1166 CA GLN A 47 4.575 -13.212 -1.719 1.00 0.00 C ATOM 1167 C GLN A 47 3.131 -12.708 -1.679 1.00 0.00 C ATOM 1168 O GLN A 47 2.812 -11.656 -2.212 1.00 0.00 O ATOM 1169 CB GLN A 47 5.567 -12.050 -1.581 1.00 0.00 C ATOM 1170 CG GLN A 47 6.240 -12.114 -0.199 1.00 0.00 C ATOM 1171 CD GLN A 47 7.666 -12.655 -0.332 1.00 0.00 C ATOM 1172 OE1 GLN A 47 8.581 -12.127 0.264 1.00 0.00 O ATOM 1173 NE2 GLN A 47 7.895 -13.693 -1.082 1.00 0.00 N ATOM 0 H GLN A 47 4.534 -13.255 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 47 4.699 -13.925 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.320 -12.105 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.049 -11.099 -1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.260 -11.121 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.661 -12.754 0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.127 -14.139 -1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.842 -14.061 -1.168 1.00 0.00 H new ATOM 1182 N ARG A 48 2.254 -13.461 -1.061 1.00 0.00 N ATOM 1183 CA ARG A 48 0.812 -13.054 -0.993 1.00 0.00 C ATOM 1184 C ARG A 48 0.660 -11.697 -0.300 1.00 0.00 C ATOM 1185 O ARG A 48 -0.346 -11.030 -0.442 1.00 0.00 O ATOM 1186 CB ARG A 48 0.111 -14.154 -0.189 1.00 0.00 C ATOM 1187 CG ARG A 48 -0.472 -15.207 -1.150 1.00 0.00 C ATOM 1188 CD ARG A 48 0.658 -15.948 -1.885 1.00 0.00 C ATOM 1189 NE ARG A 48 1.323 -16.792 -0.850 1.00 0.00 N ATOM 1190 CZ ARG A 48 1.682 -18.019 -1.136 1.00 0.00 C ATOM 1191 NH1 ARG A 48 2.432 -18.252 -2.182 1.00 0.00 N ATOM 1192 NH2 ARG A 48 1.270 -19.009 -0.387 1.00 0.00 N ATOM 0 H ARG A 48 2.474 -14.343 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 48 0.380 -12.944 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.817 -14.624 0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.684 -13.723 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.080 -15.920 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.129 -14.724 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.263 -16.560 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.363 -15.246 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 48 1.498 -16.413 0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.736 -17.479 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.712 -19.207 -2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.671 -18.825 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.548 -19.965 -0.607 1.00 0.00 H new ATOM 1206 N ARG A 49 1.649 -11.279 0.437 1.00 0.00 N ATOM 1207 CA ARG A 49 1.568 -9.959 1.125 1.00 0.00 C ATOM 1208 C ARG A 49 2.771 -9.097 0.728 1.00 0.00 C ATOM 1209 O ARG A 49 3.326 -8.375 1.537 1.00 0.00 O ATOM 1210 CB ARG A 49 1.595 -10.291 2.615 1.00 0.00 C ATOM 1211 CG ARG A 49 0.283 -10.987 3.002 1.00 0.00 C ATOM 1212 CD ARG A 49 -0.348 -10.268 4.197 1.00 0.00 C ATOM 1213 NE ARG A 49 0.170 -10.981 5.399 1.00 0.00 N ATOM 1214 CZ ARG A 49 -0.650 -11.661 6.155 1.00 0.00 C ATOM 1215 NH1 ARG A 49 -1.256 -11.077 7.157 1.00 0.00 N ATOM 1216 NH2 ARG A 49 -0.853 -12.926 5.901 1.00 0.00 N ATOM 0 H ARG A 49 2.514 -11.796 0.594 1.00 0.00 H new ATOM 0 HA ARG A 49 0.674 -9.395 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.443 -10.937 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.724 -9.380 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.406 -10.982 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.473 -12.031 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.070 -9.214 4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.436 -10.310 4.152 1.00 0.00 H new ATOM 0 HE ARG A 49 1.162 -10.938 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.088 -10.089 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.896 -11.609 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.373 -13.373 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.491 -13.467 6.484 1.00 0.00 H new ATOM 1230 N GLY A 50 3.177 -9.170 -0.513 1.00 0.00 N ATOM 1231 CA GLY A 50 4.342 -8.364 -0.975 1.00 0.00 C ATOM 1232 C GLY A 50 4.284 -8.188 -2.501 1.00 0.00 C ATOM 1233 O GLY A 50 3.532 -8.870 -3.180 1.00 0.00 O ATOM 0 H GLY A 50 2.748 -9.757 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.337 -7.389 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.272 -8.857 -0.692 1.00 0.00 H new ATOM 1237 N PRO A 51 5.091 -7.280 -3.001 1.00 0.00 N ATOM 1238 CA PRO A 51 5.997 -6.478 -2.150 1.00 0.00 C ATOM 1239 C PRO A 51 5.358 -5.157 -1.712 1.00 0.00 C ATOM 1240 O PRO A 51 4.671 -4.495 -2.463 1.00 0.00 O ATOM 1241 CB PRO A 51 7.178 -6.204 -3.067 1.00 0.00 C ATOM 1242 CG PRO A 51 6.636 -6.301 -4.465 1.00 0.00 C ATOM 1243 CD PRO A 51 5.255 -6.922 -4.405 1.00 0.00 C ATOM 0 HA PRO A 51 6.258 -6.996 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.600 -5.217 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.976 -6.928 -2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.587 -5.312 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.297 -6.906 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.487 -6.220 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.182 -7.797 -5.051 1.00 0.00 H new ATOM 1251 N CYS A 52 5.623 -4.773 -0.504 1.00 0.00 N ATOM 1252 CA CYS A 52 5.096 -3.483 0.032 1.00 0.00 C ATOM 1253 C CYS A 52 6.155 -2.384 -0.127 1.00 0.00 C ATOM 1254 O CYS A 52 7.341 -2.661 -0.139 1.00 0.00 O ATOM 1255 CB CYS A 52 4.827 -3.744 1.516 1.00 0.00 C ATOM 1256 SG CYS A 52 3.193 -4.504 1.713 1.00 0.00 S ATOM 0 H CYS A 52 6.194 -5.304 0.154 1.00 0.00 H new ATOM 0 HA CYS A 52 4.199 -3.154 -0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.596 -4.399 1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.874 -2.809 2.074 1.00 0.00 H new ATOM 1261 N TRP A 53 5.747 -1.146 -0.205 1.00 0.00 N ATOM 1262 CA TRP A 53 6.740 -0.029 -0.308 1.00 0.00 C ATOM 1263 C TRP A 53 6.083 1.299 0.099 1.00 0.00 C ATOM 1264 O TRP A 53 4.875 1.443 0.056 1.00 0.00 O ATOM 1265 CB TRP A 53 7.252 -0.022 -1.761 1.00 0.00 C ATOM 1266 CG TRP A 53 6.201 0.432 -2.726 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.923 1.721 -3.020 1.00 0.00 C ATOM 1268 CD2 TRP A 53 5.314 -0.377 -3.556 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.922 1.758 -3.973 1.00 0.00 N ATOM 1270 CE2 TRP A 53 4.508 0.491 -4.331 1.00 0.00 C ATOM 1271 CE3 TRP A 53 5.127 -1.762 -3.702 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 3.554 -0.001 -5.224 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 4.168 -2.262 -4.599 1.00 0.00 C ATOM 1274 CH2 TRP A 53 3.382 -1.382 -5.357 1.00 0.00 C ATOM 0 H TRP A 53 4.769 -0.856 -0.202 1.00 0.00 H new ATOM 0 HA TRP A 53 7.583 -0.166 0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 53 8.120 0.633 -1.836 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.585 -1.024 -2.033 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.405 2.583 -2.582 1.00 0.00 H new ATOM 0 HE1 TRP A 53 4.536 2.617 -4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.725 -2.448 -3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.953 0.681 -5.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.036 -3.329 -4.705 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.644 -1.771 -6.043 1.00 0.00 H new ATOM 1285 N CYS A 54 6.872 2.258 0.527 1.00 0.00 N ATOM 1286 CA CYS A 54 6.304 3.573 0.973 1.00 0.00 C ATOM 1287 C CYS A 54 5.996 4.473 -0.224 1.00 0.00 C ATOM 1288 O CYS A 54 6.652 4.406 -1.253 1.00 0.00 O ATOM 1289 CB CYS A 54 7.379 4.207 1.864 1.00 0.00 C ATOM 1290 SG CYS A 54 6.770 4.301 3.569 1.00 0.00 S ATOM 0 H CYS A 54 7.888 2.186 0.587 1.00 0.00 H new ATOM 0 HA CYS A 54 5.364 3.439 1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.294 3.616 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.628 5.204 1.500 1.00 0.00 H new ATOM 1295 N VAL A 55 5.009 5.317 -0.089 1.00 0.00 N ATOM 1296 CA VAL A 55 4.630 6.241 -1.204 1.00 0.00 C ATOM 1297 C VAL A 55 4.160 7.576 -0.634 1.00 0.00 C ATOM 1298 O VAL A 55 3.899 7.693 0.551 1.00 0.00 O ATOM 1299 CB VAL A 55 3.482 5.550 -1.946 1.00 0.00 C ATOM 1300 CG1 VAL A 55 4.031 4.379 -2.752 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.444 5.035 -0.945 1.00 0.00 C ATOM 0 H VAL A 55 4.442 5.409 0.754 1.00 0.00 H new ATOM 0 HA VAL A 55 5.471 6.443 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 55 3.008 6.268 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.215 3.887 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.762 4.745 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.510 3.667 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.632 4.545 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.914 4.321 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.046 5.872 -0.370 1.00 0.00 H new ATOM 1311 N ASP A 56 4.045 8.577 -1.464 1.00 0.00 N ATOM 1312 CA ASP A 56 3.578 9.893 -0.972 1.00 0.00 C ATOM 1313 C ASP A 56 2.053 9.937 -1.029 1.00 0.00 C ATOM 1314 O ASP A 56 1.409 8.987 -1.432 1.00 0.00 O ATOM 1315 CB ASP A 56 4.220 10.947 -1.892 1.00 0.00 C ATOM 1316 CG ASP A 56 3.565 10.935 -3.271 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.540 11.572 -3.422 1.00 0.00 O ATOM 1318 OD2 ASP A 56 4.113 10.316 -4.161 1.00 0.00 O ATOM 0 H ASP A 56 4.256 8.535 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 56 3.863 10.081 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.119 11.936 -1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.287 10.749 -1.990 1.00 0.00 H new ATOM 1323 N ARG A 57 1.491 11.025 -0.609 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.004 11.185 -0.587 1.00 0.00 C ATOM 1325 C ARG A 57 -0.681 10.683 -1.877 1.00 0.00 C ATOM 1326 O ARG A 57 -1.795 10.192 -1.839 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.247 12.694 -0.395 1.00 0.00 C ATOM 1328 CG ARG A 57 0.545 13.501 -1.434 1.00 0.00 C ATOM 1329 CD ARG A 57 1.594 14.371 -0.728 1.00 0.00 C ATOM 1330 NE ARG A 57 2.814 14.291 -1.588 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.819 14.846 -2.774 1.00 0.00 C ATOM 1332 NH1 ARG A 57 3.074 16.120 -2.899 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.575 14.120 -3.831 1.00 0.00 N ATOM 0 H ARG A 57 2.006 11.837 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.440 10.584 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.311 12.912 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.051 12.992 0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.033 12.826 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.132 14.129 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.249 15.400 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.797 14.004 0.278 1.00 0.00 H new ATOM 0 HE ARG A 57 3.644 13.803 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.270 16.684 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.078 16.551 -3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.381 13.124 -3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.578 14.549 -4.756 1.00 0.00 H new ATOM 1347 N MET A 58 -0.045 10.798 -3.014 1.00 0.00 N ATOM 1348 CA MET A 58 -0.690 10.327 -4.275 1.00 0.00 C ATOM 1349 C MET A 58 -0.589 8.797 -4.388 1.00 0.00 C ATOM 1350 O MET A 58 -1.304 8.179 -5.157 1.00 0.00 O ATOM 1351 CB MET A 58 0.076 11.060 -5.391 1.00 0.00 C ATOM 1352 CG MET A 58 0.279 10.176 -6.630 1.00 0.00 C ATOM 1353 SD MET A 58 -0.790 10.769 -7.969 1.00 0.00 S ATOM 1354 CE MET A 58 -2.356 10.126 -7.326 1.00 0.00 C ATOM 0 H MET A 58 0.888 11.195 -3.124 1.00 0.00 H new ATOM 0 HA MET A 58 -1.757 10.545 -4.325 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.470 11.960 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.046 11.382 -5.013 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.323 10.203 -6.943 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.044 9.138 -6.393 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.158 10.353 -8.028 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.281 9.046 -7.198 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.573 10.591 -6.364 1.00 0.00 H new ATOM 1364 N GLY A 59 0.274 8.180 -3.628 1.00 0.00 N ATOM 1365 CA GLY A 59 0.403 6.699 -3.696 1.00 0.00 C ATOM 1366 C GLY A 59 1.567 6.310 -4.607 1.00 0.00 C ATOM 1367 O GLY A 59 1.760 5.154 -4.909 1.00 0.00 O ATOM 0 H GLY A 59 0.896 8.639 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.564 6.295 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.523 6.263 -4.071 1.00 0.00 H new ATOM 1371 N LYS A 60 2.339 7.255 -5.059 1.00 0.00 N ATOM 1372 CA LYS A 60 3.476 6.933 -5.943 1.00 0.00 C ATOM 1373 C LYS A 60 4.733 6.720 -5.096 1.00 0.00 C ATOM 1374 O LYS A 60 4.882 7.326 -4.051 1.00 0.00 O ATOM 1375 CB LYS A 60 3.586 8.191 -6.794 1.00 0.00 C ATOM 1376 CG LYS A 60 4.819 8.135 -7.672 1.00 0.00 C ATOM 1377 CD LYS A 60 4.512 8.869 -8.978 1.00 0.00 C ATOM 1378 CE LYS A 60 5.597 8.573 -10.030 1.00 0.00 C ATOM 1379 NZ LYS A 60 5.754 7.086 -10.041 1.00 0.00 N ATOM 0 H LYS A 60 2.225 8.246 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 60 3.353 6.027 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.696 8.296 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.631 9.069 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.666 8.598 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.095 7.100 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.537 8.560 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.458 9.942 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.302 8.943 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.536 9.064 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.074 6.778 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.456 6.806 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.841 6.639 -9.823 1.00 0.00 H new ATOM 1393 N SER A 61 5.635 5.874 -5.535 1.00 0.00 N ATOM 1394 CA SER A 61 6.891 5.637 -4.760 1.00 0.00 C ATOM 1395 C SER A 61 7.448 7.000 -4.338 1.00 0.00 C ATOM 1396 O SER A 61 7.821 7.811 -5.165 1.00 0.00 O ATOM 1397 CB SER A 61 7.843 4.913 -5.719 1.00 0.00 C ATOM 1398 OG SER A 61 7.088 4.072 -6.588 1.00 0.00 O ATOM 0 H SER A 61 5.554 5.337 -6.399 1.00 0.00 H new ATOM 0 HA SER A 61 6.741 5.040 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.413 5.638 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.563 4.320 -5.156 1.00 0.00 H new ATOM 0 HG SER A 61 7.595 3.254 -6.773 1.00 0.00 H new ATOM 1404 N LEU A 62 7.434 7.261 -3.062 1.00 0.00 N ATOM 1405 CA LEU A 62 7.877 8.581 -2.524 1.00 0.00 C ATOM 1406 C LEU A 62 9.138 9.113 -3.202 1.00 0.00 C ATOM 1407 O LEU A 62 10.231 8.659 -2.924 1.00 0.00 O ATOM 1408 CB LEU A 62 8.138 8.340 -1.041 1.00 0.00 C ATOM 1409 CG LEU A 62 7.051 9.037 -0.229 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.955 8.396 1.148 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.383 10.522 -0.082 1.00 0.00 C ATOM 0 H LEU A 62 7.126 6.599 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 62 7.114 9.338 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.141 7.271 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.120 8.723 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 62 6.096 8.934 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.178 8.894 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.707 7.340 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.911 8.494 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.603 11.014 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.340 10.632 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.444 10.981 -1.069 1.00 0.00 H new ATOM 1423 N PRO A 63 8.941 10.099 -4.041 1.00 0.00 N ATOM 1424 CA PRO A 63 10.074 10.748 -4.725 1.00 0.00 C ATOM 1425 C PRO A 63 10.686 11.805 -3.789 1.00 0.00 C ATOM 1426 O PRO A 63 11.884 11.843 -3.577 1.00 0.00 O ATOM 1427 CB PRO A 63 9.430 11.395 -5.948 1.00 0.00 C ATOM 1428 CG PRO A 63 7.988 11.605 -5.587 1.00 0.00 C ATOM 1429 CD PRO A 63 7.651 10.684 -4.435 1.00 0.00 C ATOM 0 HA PRO A 63 10.879 10.067 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.914 12.341 -6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.524 10.754 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.814 12.644 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.347 11.394 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.195 11.231 -3.610 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.942 9.914 -4.737 1.00 0.00 H new ATOM 1437 N GLY A 64 9.866 12.652 -3.216 1.00 0.00 N ATOM 1438 CA GLY A 64 10.379 13.702 -2.286 1.00 0.00 C ATOM 1439 C GLY A 64 9.376 14.854 -2.208 1.00 0.00 C ATOM 1440 O GLY A 64 9.564 15.886 -2.828 1.00 0.00 O ATOM 0 H GLY A 64 8.856 12.660 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.538 13.278 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.344 14.070 -2.634 1.00 0.00 H new ATOM 1444 N SER A 65 8.317 14.695 -1.454 1.00 0.00 N ATOM 1445 CA SER A 65 7.310 15.793 -1.337 1.00 0.00 C ATOM 1446 C SER A 65 7.301 16.336 0.099 1.00 0.00 C ATOM 1447 O SER A 65 7.142 15.582 1.041 1.00 0.00 O ATOM 1448 CB SER A 65 5.955 15.165 -1.691 1.00 0.00 C ATOM 1449 OG SER A 65 5.879 13.834 -1.179 1.00 0.00 O ATOM 0 H SER A 65 8.107 13.854 -0.916 1.00 0.00 H new ATOM 0 HA SER A 65 7.537 16.628 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.147 15.768 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.823 15.154 -2.773 1.00 0.00 H new ATOM 0 HG SER A 65 5.903 13.196 -1.922 1.00 0.00 H new ATOM 1455 N PRO A 66 7.484 17.629 0.227 1.00 0.00 N ATOM 1456 CA PRO A 66 7.505 18.260 1.576 1.00 0.00 C ATOM 1457 C PRO A 66 6.127 18.192 2.236 1.00 0.00 C ATOM 1458 O PRO A 66 6.012 18.103 3.445 1.00 0.00 O ATOM 1459 CB PRO A 66 7.924 19.702 1.296 1.00 0.00 C ATOM 1460 CG PRO A 66 7.534 19.941 -0.128 1.00 0.00 C ATOM 1461 CD PRO A 66 7.674 18.618 -0.842 1.00 0.00 C ATOM 0 HA PRO A 66 8.180 17.758 2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.420 20.398 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.996 19.838 1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.510 20.310 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.174 20.697 -0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.929 18.506 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.652 18.517 -1.312 1.00 0.00 H new ATOM 1469 N ASP A 67 5.084 18.209 1.459 1.00 0.00 N ATOM 1470 CA ASP A 67 3.715 18.124 2.047 1.00 0.00 C ATOM 1471 C ASP A 67 3.327 16.656 2.271 1.00 0.00 C ATOM 1472 O ASP A 67 2.190 16.354 2.579 1.00 0.00 O ATOM 1473 CB ASP A 67 2.783 18.797 1.026 1.00 0.00 C ATOM 1474 CG ASP A 67 2.643 17.925 -0.221 1.00 0.00 C ATOM 1475 OD1 ASP A 67 3.651 17.636 -0.843 1.00 0.00 O ATOM 1476 OD2 ASP A 67 1.526 17.570 -0.549 1.00 0.00 O ATOM 0 H ASP A 67 5.117 18.278 0.442 1.00 0.00 H new ATOM 0 HA ASP A 67 3.653 18.616 3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.803 18.964 1.473 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.179 19.775 0.752 1.00 0.00 H new ATOM 1481 N GLY A 68 4.258 15.741 2.137 1.00 0.00 N ATOM 1482 CA GLY A 68 3.931 14.303 2.358 1.00 0.00 C ATOM 1483 C GLY A 68 4.754 13.762 3.532 1.00 0.00 C ATOM 1484 O GLY A 68 5.046 12.584 3.603 1.00 0.00 O ATOM 0 H GLY A 68 5.228 15.931 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.867 14.189 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.144 13.729 1.456 1.00 0.00 H new ATOM 1488 N ASN A 69 5.130 14.609 4.456 1.00 0.00 N ATOM 1489 CA ASN A 69 5.937 14.141 5.627 1.00 0.00 C ATOM 1490 C ASN A 69 5.011 13.748 6.779 1.00 0.00 C ATOM 1491 O ASN A 69 3.805 13.667 6.617 1.00 0.00 O ATOM 1492 CB ASN A 69 6.809 15.340 6.027 1.00 0.00 C ATOM 1493 CG ASN A 69 8.194 15.209 5.395 1.00 0.00 C ATOM 1494 OD1 ASN A 69 8.496 15.878 4.427 1.00 0.00 O ATOM 1495 ND2 ASN A 69 9.059 14.374 5.901 1.00 0.00 N ATOM 0 H ASN A 69 4.914 15.606 4.451 1.00 0.00 H new ATOM 0 HA ASN A 69 6.540 13.266 5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.338 16.268 5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.898 15.390 7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.986 14.284 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.809 13.811 6.714 1.00 0.00 H new ATOM 1502 N GLY A 70 5.561 13.508 7.937 1.00 0.00 N ATOM 1503 CA GLY A 70 4.724 13.128 9.106 1.00 0.00 C ATOM 1504 C GLY A 70 4.864 11.629 9.375 1.00 0.00 C ATOM 1505 O GLY A 70 4.876 10.824 8.459 1.00 0.00 O ATOM 0 H GLY A 70 6.562 13.560 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.031 13.695 9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.680 13.377 8.914 1.00 0.00 H new ATOM 1509 N SER A 71 4.964 11.248 10.625 1.00 0.00 N ATOM 1510 CA SER A 71 5.097 9.796 10.972 1.00 0.00 C ATOM 1511 C SER A 71 3.916 9.003 10.403 1.00 0.00 C ATOM 1512 O SER A 71 4.047 7.838 10.071 1.00 0.00 O ATOM 1513 CB SER A 71 5.101 9.754 12.499 1.00 0.00 C ATOM 1514 OG SER A 71 5.904 10.825 12.991 1.00 0.00 O ATOM 0 H SER A 71 4.959 11.882 11.424 1.00 0.00 H new ATOM 0 HA SER A 71 5.999 9.350 10.554 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.084 9.840 12.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.493 8.799 12.848 1.00 0.00 H new ATOM 0 HG SER A 71 6.830 10.520 13.091 1.00 0.00 H new ATOM 1520 N SER A 72 2.771 9.627 10.268 1.00 0.00 N ATOM 1521 CA SER A 72 1.592 8.919 9.689 1.00 0.00 C ATOM 1522 C SER A 72 1.877 8.637 8.206 1.00 0.00 C ATOM 1523 O SER A 72 1.638 7.548 7.711 1.00 0.00 O ATOM 1524 CB SER A 72 0.400 9.878 9.858 1.00 0.00 C ATOM 1525 OG SER A 72 0.870 11.188 10.174 1.00 0.00 O ATOM 0 H SER A 72 2.604 10.597 10.535 1.00 0.00 H new ATOM 0 HA SER A 72 1.382 7.967 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.189 9.905 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.258 9.518 10.649 1.00 0.00 H new ATOM 0 HG SER A 72 0.113 11.753 10.434 1.00 0.00 H new ATOM 1531 N SER A 73 2.422 9.601 7.505 1.00 0.00 N ATOM 1532 CA SER A 73 2.770 9.396 6.064 1.00 0.00 C ATOM 1533 C SER A 73 4.141 8.703 5.998 1.00 0.00 C ATOM 1534 O SER A 73 4.441 7.857 6.821 1.00 0.00 O ATOM 1535 CB SER A 73 2.828 10.805 5.444 1.00 0.00 C ATOM 1536 OG SER A 73 2.202 11.748 6.309 1.00 0.00 O ATOM 0 H SER A 73 2.642 10.527 7.872 1.00 0.00 H new ATOM 0 HA SER A 73 2.051 8.776 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.865 11.092 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.331 10.804 4.474 1.00 0.00 H new ATOM 0 HG SER A 73 2.887 12.289 6.754 1.00 0.00 H new ATOM 1542 N CYS A 74 4.986 9.049 5.058 1.00 0.00 N ATOM 1543 CA CYS A 74 6.331 8.404 5.000 1.00 0.00 C ATOM 1544 C CYS A 74 7.364 9.406 4.463 1.00 0.00 C ATOM 1545 O CYS A 74 7.110 10.080 3.485 1.00 0.00 O ATOM 1546 CB CYS A 74 6.162 7.227 4.038 1.00 0.00 C ATOM 1547 SG CYS A 74 7.508 6.042 4.281 1.00 0.00 S ATOM 0 H CYS A 74 4.803 9.745 4.335 1.00 0.00 H new ATOM 0 HA CYS A 74 6.684 8.076 5.978 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.201 6.741 4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.160 7.584 3.008 1.00 0.00 H new ATOM 1552 N PRO A 75 8.500 9.471 5.122 1.00 0.00 N ATOM 1553 CA PRO A 75 9.576 10.398 4.700 1.00 0.00 C ATOM 1554 C PRO A 75 10.485 9.749 3.645 1.00 0.00 C ATOM 1555 O PRO A 75 10.632 10.253 2.548 1.00 0.00 O ATOM 1556 CB PRO A 75 10.338 10.656 6.001 1.00 0.00 C ATOM 1557 CG PRO A 75 10.077 9.463 6.878 1.00 0.00 C ATOM 1558 CD PRO A 75 8.882 8.717 6.323 1.00 0.00 C ATOM 0 HA PRO A 75 9.199 11.309 4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.405 10.775 5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.995 11.574 6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.951 8.813 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.884 9.780 7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.137 7.686 6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.066 8.682 7.045 1.00 0.00 H new ATOM 1566 N THR A 76 11.108 8.646 3.972 1.00 0.00 N ATOM 1567 CA THR A 76 12.015 7.975 2.997 1.00 0.00 C ATOM 1568 C THR A 76 11.193 7.379 1.848 1.00 0.00 C ATOM 1569 O THR A 76 10.120 6.836 2.055 1.00 0.00 O ATOM 1570 CB THR A 76 12.733 6.874 3.798 1.00 0.00 C ATOM 1571 OG1 THR A 76 12.654 7.163 5.195 1.00 0.00 O ATOM 1572 CG2 THR A 76 14.202 6.815 3.377 1.00 0.00 C ATOM 0 H THR A 76 11.026 8.181 4.876 1.00 0.00 H new ATOM 0 HA THR A 76 12.730 8.665 2.549 1.00 0.00 H new ATOM 0 HB THR A 76 12.254 5.915 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.111 6.459 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.712 6.036 3.943 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.267 6.591 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.676 7.776 3.575 1.00 0.00 H new ATOM 1580 N GLY A 77 11.682 7.483 0.642 1.00 0.00 N ATOM 1581 CA GLY A 77 10.930 6.935 -0.520 1.00 0.00 C ATOM 1582 C GLY A 77 11.206 5.439 -0.667 1.00 0.00 C ATOM 1583 O GLY A 77 11.661 4.784 0.254 1.00 0.00 O ATOM 0 H GLY A 77 12.572 7.925 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.862 7.104 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.222 7.458 -1.431 1.00 0.00 H new ATOM 1587 N SER A 78 10.935 4.899 -1.823 1.00 0.00 N ATOM 1588 CA SER A 78 11.176 3.447 -2.057 1.00 0.00 C ATOM 1589 C SER A 78 11.786 3.244 -3.447 1.00 0.00 C ATOM 1590 O SER A 78 11.562 4.031 -4.350 1.00 0.00 O ATOM 1591 CB SER A 78 9.793 2.790 -1.975 1.00 0.00 C ATOM 1592 OG SER A 78 9.020 3.415 -0.949 1.00 0.00 O ATOM 0 H SER A 78 10.554 5.406 -2.622 1.00 0.00 H new ATOM 0 HA SER A 78 11.868 3.017 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.281 2.878 -2.933 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.898 1.725 -1.766 1.00 0.00 H new ATOM 0 HG SER A 78 8.271 3.900 -1.354 1.00 0.00 H new ATOM 1598 N SER A 79 12.545 2.197 -3.630 1.00 0.00 N ATOM 1599 CA SER A 79 13.167 1.944 -4.964 1.00 0.00 C ATOM 1600 C SER A 79 12.328 0.928 -5.747 1.00 0.00 C ATOM 1601 O SER A 79 12.704 -0.222 -5.908 1.00 0.00 O ATOM 1602 CB SER A 79 14.561 1.391 -4.656 1.00 0.00 C ATOM 1603 OG SER A 79 15.214 2.253 -3.729 1.00 0.00 O ATOM 0 H SER A 79 12.762 1.505 -2.913 1.00 0.00 H new ATOM 0 HA SER A 79 13.223 2.843 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.483 0.385 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.145 1.314 -5.573 1.00 0.00 H new ATOM 0 HG SER A 79 16.106 1.901 -3.528 1.00 0.00 H new ATOM 1609 N GLY A 80 11.188 1.346 -6.221 1.00 0.00 N ATOM 1610 CA GLY A 80 10.307 0.422 -6.990 1.00 0.00 C ATOM 1611 C GLY A 80 9.363 1.242 -7.865 1.00 0.00 C ATOM 1612 O GLY A 80 9.384 1.053 -9.064 1.00 0.00 O ATOM 1613 OXT GLY A 80 8.636 2.052 -7.324 1.00 0.00 O ATOM 0 H GLY A 80 10.826 2.293 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.909 -0.244 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.735 -0.207 -6.308 1.00 0.00 H new TER 1617 GLY A 80