USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 646 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 82 SER OG : rot -116:sc= 1.32 USER MOD Set 1.2: A 84 ASN : amide:sc= 1.11 K(o=2.4,f=-1.2) USER MOD Set 2.1: A 16 TYR OH : rot -65:sc= 1.63 USER MOD Set 2.2: A 62 ASN : amide:sc= -1.82 K(o=-2.5,f=-3.7!) USER MOD Set 2.3: A 65 ASN : amide:sc= -3.55 K(o=-2.5,f=-4.8!) USER MOD Set 2.4: A 68 SER OG : rot -150:sc= 1.25 USER MOD Set 3.1: A 1 ILE N :NH3+ -176:sc= 0.357 (180deg=0.348) USER MOD Set 3.2: A 46 SER OG : rot -154:sc= 1.24 USER MOD Set 4.1: A 41 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0.62) USER MOD Set 4.2: A 45 GLN : amide:sc= 0.623 K(o=0.62,f=-1.8!) USER MOD Single : A 5 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.61) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 162:sc= -0.292! USER MOD Single : A 18 GLN :FLIP amide:sc= -0.72 F(o=-1.6,f=-0.72) USER MOD Single : A 24 SER OG : rot -99:sc= -0.27 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.722 F(o=-5.3!,f=-0.72) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.18 K(o=1.2,f=-0.01) USER MOD Single : A 35 HIS : no HD1:sc= -1.95! C(o=-2!,f=-3.2!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.156 F(o=-0.79,f=-0.16) USER MOD Single : A 40 SER OG : rot 109:sc= 0.924 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.11 K(o=1.1,f=-0.13) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=-0.21) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= -0.31 (180deg=-1.73!) USER MOD Single : A 76 ASN : amide:sc=-0.00564 X(o=-0.0056,f=0) USER MOD Single : A 79 TYR OH : rot -15:sc= -1.2 USER MOD Single : A 80 THR OG1 : rot 154:sc= 0.251 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0697 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -1.654 4.260 13.885 1.00 0.00 N ATOM 2 CA ILE A 1 -0.903 5.251 13.037 1.00 0.00 C ATOM 3 C ILE A 1 -1.920 6.122 12.274 1.00 0.00 C ATOM 4 O ILE A 1 -2.986 5.644 11.943 1.00 0.00 O ATOM 5 CB ILE A 1 0.014 4.515 11.984 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.129 3.699 12.701 1.00 0.00 C ATOM 7 CG2 ILE A 1 0.670 5.506 11.049 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.776 2.683 11.713 1.00 0.00 C ATOM 0 H1 ILE A 1 -0.980 3.711 14.457 1.00 0.00 H new ATOM 0 H2 ILE A 1 -2.309 4.767 14.514 1.00 0.00 H new ATOM 0 H3 ILE A 1 -2.193 3.616 13.271 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.275 5.859 13.688 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.626 3.843 11.411 1.00 0.00 H new ATOM 0 HG12 ILE A 1 1.891 4.375 13.089 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.708 3.168 13.555 1.00 0.00 H new ATOM 0 HG21 ILE A 1 1.296 4.972 10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.098 6.064 10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 1 1.285 6.197 11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.554 2.120 12.228 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.013 1.996 11.346 1.00 0.00 H new ATOM 0 HD13 ILE A 1 2.214 3.221 10.873 1.00 0.00 H new ATOM 22 N ASP A 2 -1.568 7.349 11.997 1.00 0.00 N ATOM 23 CA ASP A 2 -2.511 8.243 11.270 1.00 0.00 C ATOM 24 C ASP A 2 -2.310 8.072 9.759 1.00 0.00 C ATOM 25 O ASP A 2 -1.195 8.104 9.260 1.00 0.00 O ATOM 26 CB ASP A 2 -2.226 9.690 11.678 1.00 0.00 C ATOM 27 CG ASP A 2 -3.411 10.553 11.267 1.00 0.00 C ATOM 28 OD1 ASP A 2 -3.713 10.525 10.092 1.00 0.00 O ATOM 29 OD2 ASP A 2 -3.941 11.182 12.156 1.00 0.00 O ATOM 0 H ASP A 2 -0.671 7.768 12.242 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.541 7.990 11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.066 9.755 12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.314 10.046 11.198 1.00 0.00 H new ATOM 34 N CYS A 3 -3.391 7.903 9.040 1.00 0.00 N ATOM 35 CA CYS A 3 -3.280 7.726 7.557 1.00 0.00 C ATOM 36 C CYS A 3 -2.656 8.963 6.889 1.00 0.00 C ATOM 37 O CYS A 3 -2.161 8.897 5.785 1.00 0.00 O ATOM 38 CB CYS A 3 -4.662 7.472 6.951 1.00 0.00 C ATOM 39 SG CYS A 3 -4.577 7.020 5.202 1.00 0.00 S ATOM 0 H CYS A 3 -4.341 7.880 9.411 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.632 6.868 7.376 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.158 6.675 7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.274 8.367 7.063 1.00 0.00 H new ATOM 44 N GLY A 4 -2.682 10.079 7.558 1.00 0.00 N ATOM 45 CA GLY A 4 -2.091 11.332 6.994 1.00 0.00 C ATOM 46 C GLY A 4 -0.611 11.107 6.644 1.00 0.00 C ATOM 47 O GLY A 4 -0.096 11.657 5.694 1.00 0.00 O ATOM 0 H GLY A 4 -3.093 10.182 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.642 11.634 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.183 12.144 7.716 1.00 0.00 H new ATOM 51 N HIS A 5 0.041 10.283 7.423 1.00 0.00 N ATOM 52 CA HIS A 5 1.490 9.990 7.184 1.00 0.00 C ATOM 53 C HIS A 5 1.618 8.779 6.252 1.00 0.00 C ATOM 54 O HIS A 5 2.443 8.747 5.359 1.00 0.00 O ATOM 55 CB HIS A 5 2.155 9.685 8.541 1.00 0.00 C ATOM 56 CG HIS A 5 3.652 9.473 8.330 1.00 0.00 C ATOM 57 ND1 HIS A 5 4.485 10.404 8.009 1.00 0.00 N ATOM 58 CD2 HIS A 5 4.429 8.334 8.413 1.00 0.00 C ATOM 59 CE1 HIS A 5 5.676 9.906 7.899 1.00 0.00 C ATOM 60 NE2 HIS A 5 5.687 8.619 8.143 1.00 0.00 N ATOM 0 H HIS A 5 -0.369 9.796 8.220 1.00 0.00 H new ATOM 0 HA HIS A 5 1.979 10.845 6.717 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.986 10.508 9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.709 8.796 8.986 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.059 7.351 8.663 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.552 10.481 7.638 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.485 7.984 8.128 1.00 0.00 H new ATOM 68 N VAL A 6 0.793 7.791 6.478 1.00 0.00 N ATOM 69 CA VAL A 6 0.848 6.566 5.614 1.00 0.00 C ATOM 70 C VAL A 6 0.500 6.928 4.162 1.00 0.00 C ATOM 71 O VAL A 6 1.002 6.317 3.238 1.00 0.00 O ATOM 72 CB VAL A 6 -0.143 5.503 6.118 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.054 4.262 5.277 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.104 5.192 7.574 1.00 0.00 C ATOM 0 H VAL A 6 0.088 7.775 7.215 1.00 0.00 H new ATOM 0 HA VAL A 6 1.860 6.163 5.660 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.166 5.869 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.635 3.485 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.140 4.497 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.079 3.908 5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.607 4.438 7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.119 4.814 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.021 6.099 8.166 1.00 0.00 H new ATOM 84 N ASP A 7 -0.358 7.894 3.986 1.00 0.00 N ATOM 85 CA ASP A 7 -0.762 8.344 2.618 1.00 0.00 C ATOM 86 C ASP A 7 0.474 8.704 1.783 1.00 0.00 C ATOM 87 O ASP A 7 0.581 8.409 0.609 1.00 0.00 O ATOM 88 CB ASP A 7 -1.673 9.608 2.735 1.00 0.00 C ATOM 89 CG ASP A 7 -1.936 10.227 1.353 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.283 9.459 0.477 1.00 0.00 O ATOM 91 OD2 ASP A 7 -1.793 11.433 1.213 1.00 0.00 O ATOM 0 H ASP A 7 -0.807 8.403 4.747 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.301 7.531 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.620 9.336 3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.198 10.345 3.383 1.00 0.00 H new ATOM 96 N SER A 8 1.401 9.347 2.434 1.00 0.00 N ATOM 97 CA SER A 8 2.659 9.778 1.750 1.00 0.00 C ATOM 98 C SER A 8 3.647 8.604 1.594 1.00 0.00 C ATOM 99 O SER A 8 4.489 8.599 0.714 1.00 0.00 O ATOM 100 CB SER A 8 3.255 10.915 2.605 1.00 0.00 C ATOM 101 OG SER A 8 4.240 11.528 1.782 1.00 0.00 O ATOM 0 H SER A 8 1.344 9.597 3.421 1.00 0.00 H new ATOM 0 HA SER A 8 2.452 10.125 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.487 11.631 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.696 10.527 3.523 1.00 0.00 H new ATOM 0 HG SER A 8 4.660 12.267 2.270 1.00 0.00 H new ATOM 107 N LEU A 9 3.539 7.620 2.449 1.00 0.00 N ATOM 108 CA LEU A 9 4.445 6.463 2.369 1.00 0.00 C ATOM 109 C LEU A 9 4.091 5.581 1.170 1.00 0.00 C ATOM 110 O LEU A 9 4.982 5.122 0.479 1.00 0.00 O ATOM 111 CB LEU A 9 4.306 5.750 3.704 1.00 0.00 C ATOM 112 CG LEU A 9 4.983 6.547 4.875 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.896 5.745 6.151 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.445 6.821 4.611 1.00 0.00 C ATOM 0 H LEU A 9 2.852 7.579 3.202 1.00 0.00 H new ATOM 0 HA LEU A 9 5.483 6.750 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.249 5.605 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.755 4.759 3.634 1.00 0.00 H new ATOM 0 HG LEU A 9 4.453 7.496 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.367 6.300 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.850 5.562 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.409 4.793 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.869 7.374 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.977 5.877 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.546 7.410 3.699 1.00 0.00 H new ATOM 126 N VAL A 10 2.825 5.346 0.940 1.00 0.00 N ATOM 127 CA VAL A 10 2.421 4.500 -0.213 1.00 0.00 C ATOM 128 C VAL A 10 2.308 5.375 -1.490 1.00 0.00 C ATOM 129 O VAL A 10 2.294 4.861 -2.595 1.00 0.00 O ATOM 130 CB VAL A 10 1.069 3.847 0.134 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.953 2.620 -0.727 1.00 0.00 C ATOM 132 CG2 VAL A 10 0.980 3.411 1.580 1.00 0.00 C ATOM 0 H VAL A 10 2.055 5.706 1.504 1.00 0.00 H new ATOM 0 HA VAL A 10 3.162 3.725 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 10 0.276 4.575 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.008 2.118 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.988 2.908 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.779 1.943 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.006 2.959 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.764 2.683 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.107 4.277 2.230 1.00 0.00 H new ATOM 142 N ARG A 11 2.223 6.674 -1.312 1.00 0.00 N ATOM 143 CA ARG A 11 2.116 7.627 -2.473 1.00 0.00 C ATOM 144 C ARG A 11 3.182 7.312 -3.561 1.00 0.00 C ATOM 145 O ARG A 11 2.849 7.210 -4.728 1.00 0.00 O ATOM 146 CB ARG A 11 2.312 9.109 -1.972 1.00 0.00 C ATOM 147 CG ARG A 11 1.189 10.117 -2.453 1.00 0.00 C ATOM 148 CD ARG A 11 -0.072 10.094 -1.525 1.00 0.00 C ATOM 149 NE ARG A 11 -1.037 11.181 -1.926 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.307 10.921 -2.088 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.661 10.272 -3.154 1.00 0.00 N ATOM 152 NH2 ARG A 11 -3.142 11.323 -1.178 1.00 0.00 N ATOM 0 H ARG A 11 2.223 7.124 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 11 1.125 7.509 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.341 9.110 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.280 9.471 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.598 11.127 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.892 9.866 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.561 9.122 -1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.230 10.231 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.694 12.130 -2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.956 9.982 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.644 10.051 -3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.801 11.829 -0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.139 11.133 -1.281 1.00 0.00 H new ATOM 166 N PRO A 12 4.438 7.177 -3.176 1.00 0.00 N ATOM 167 CA PRO A 12 5.517 6.841 -4.141 1.00 0.00 C ATOM 168 C PRO A 12 5.267 5.530 -4.897 1.00 0.00 C ATOM 169 O PRO A 12 5.755 5.387 -6.001 1.00 0.00 O ATOM 170 CB PRO A 12 6.802 6.811 -3.291 1.00 0.00 C ATOM 171 CG PRO A 12 6.268 6.472 -1.883 1.00 0.00 C ATOM 172 CD PRO A 12 4.993 7.320 -1.794 1.00 0.00 C ATOM 0 HA PRO A 12 5.580 7.576 -4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.507 6.060 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.321 7.769 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.055 5.408 -1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.984 6.734 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.305 6.947 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.209 8.359 -1.545 1.00 0.00 H new ATOM 180 N CYS A 13 4.538 4.591 -4.324 1.00 0.00 N ATOM 181 CA CYS A 13 4.310 3.343 -5.059 1.00 0.00 C ATOM 182 C CYS A 13 3.160 3.518 -6.058 1.00 0.00 C ATOM 183 O CYS A 13 3.063 2.795 -7.035 1.00 0.00 O ATOM 184 CB CYS A 13 4.011 2.311 -4.051 1.00 0.00 C ATOM 185 SG CYS A 13 5.382 1.708 -3.042 1.00 0.00 S ATOM 0 H CYS A 13 4.109 4.651 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 13 5.183 3.053 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.249 2.707 -3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.571 1.457 -4.565 1.00 0.00 H new ATOM 190 N LEU A 14 2.293 4.466 -5.810 1.00 0.00 N ATOM 191 CA LEU A 14 1.139 4.704 -6.757 1.00 0.00 C ATOM 192 C LEU A 14 1.635 5.130 -8.148 1.00 0.00 C ATOM 193 O LEU A 14 0.984 4.882 -9.149 1.00 0.00 O ATOM 194 CB LEU A 14 0.200 5.853 -6.296 1.00 0.00 C ATOM 195 CG LEU A 14 -0.814 5.442 -5.207 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.069 4.976 -3.982 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.648 6.652 -4.859 1.00 0.00 C ATOM 0 H LEU A 14 2.325 5.087 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 14 0.606 3.753 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.808 6.675 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.345 6.231 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.452 4.634 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.782 4.685 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.556 4.121 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.559 5.785 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.373 6.385 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.000 7.446 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.174 7.000 -5.748 1.00 0.00 H new ATOM 209 N SER A 15 2.771 5.785 -8.180 1.00 0.00 N ATOM 210 CA SER A 15 3.337 6.244 -9.498 1.00 0.00 C ATOM 211 C SER A 15 3.463 5.091 -10.499 1.00 0.00 C ATOM 212 O SER A 15 3.482 5.290 -11.696 1.00 0.00 O ATOM 213 CB SER A 15 4.726 6.852 -9.306 1.00 0.00 C ATOM 214 OG SER A 15 5.518 5.758 -8.871 1.00 0.00 O ATOM 0 H SER A 15 3.330 6.022 -7.361 1.00 0.00 H new ATOM 0 HA SER A 15 2.643 6.988 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.108 7.278 -10.234 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.713 7.654 -8.568 1.00 0.00 H new ATOM 0 HG SER A 15 6.466 5.971 -8.996 1.00 0.00 H new ATOM 220 N TYR A 16 3.545 3.897 -9.985 1.00 0.00 N ATOM 221 CA TYR A 16 3.671 2.700 -10.870 1.00 0.00 C ATOM 222 C TYR A 16 2.287 2.067 -11.056 1.00 0.00 C ATOM 223 O TYR A 16 1.897 1.673 -12.141 1.00 0.00 O ATOM 224 CB TYR A 16 4.646 1.776 -10.176 1.00 0.00 C ATOM 225 CG TYR A 16 4.824 0.456 -10.922 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.871 0.401 -12.300 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.925 -0.710 -10.202 1.00 0.00 C ATOM 228 CE1 TYR A 16 5.008 -0.809 -12.936 1.00 0.00 C ATOM 229 CE2 TYR A 16 5.065 -1.917 -10.841 1.00 0.00 C ATOM 230 CZ TYR A 16 5.104 -1.979 -12.216 1.00 0.00 C ATOM 231 OH TYR A 16 5.195 -3.178 -12.895 1.00 0.00 O ATOM 0 H TYR A 16 3.530 3.695 -8.985 1.00 0.00 H new ATOM 0 HA TYR A 16 4.038 2.939 -11.868 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.612 2.273 -10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.295 1.574 -9.164 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.800 1.310 -12.879 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.894 -0.677 -9.123 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.041 -0.843 -14.015 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.145 -2.825 -10.261 1.00 0.00 H new ATOM 0 HH TYR A 16 4.364 -3.338 -13.389 1.00 0.00 H new ATOM 241 N VAL A 17 1.587 1.985 -9.963 1.00 0.00 N ATOM 242 CA VAL A 17 0.201 1.393 -9.999 1.00 0.00 C ATOM 243 C VAL A 17 -0.695 2.111 -11.019 1.00 0.00 C ATOM 244 O VAL A 17 -1.611 1.523 -11.564 1.00 0.00 O ATOM 245 CB VAL A 17 -0.516 1.498 -8.627 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.812 0.718 -8.693 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.374 0.938 -7.548 1.00 0.00 C ATOM 0 H VAL A 17 1.902 2.297 -9.045 1.00 0.00 H new ATOM 0 HA VAL A 17 0.343 0.348 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.731 2.541 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.326 0.784 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.448 1.134 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.597 -0.327 -8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.131 1.012 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.593 -0.108 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.305 1.504 -7.514 1.00 0.00 H new ATOM 257 N GLN A 18 -0.461 3.375 -11.257 1.00 0.00 N ATOM 258 CA GLN A 18 -1.274 4.130 -12.222 1.00 0.00 C ATOM 259 C GLN A 18 -1.087 3.613 -13.657 1.00 0.00 C ATOM 260 O GLN A 18 -1.945 3.794 -14.496 1.00 0.00 O ATOM 261 CB GLN A 18 -0.859 5.600 -12.072 1.00 0.00 C ATOM 262 CG GLN A 18 0.674 5.893 -12.197 1.00 0.00 C ATOM 263 CD GLN A 18 0.949 7.412 -12.115 1.00 0.00 C ATOM 264 OE1 GLN A 18 -0.045 8.242 -12.151 1.00 0.00 O flip ATOM 265 NE2 GLN A 18 2.067 7.873 -12.015 1.00 0.00 N flip ATOM 0 H GLN A 18 0.278 3.916 -10.808 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.338 4.009 -12.020 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.384 6.185 -12.827 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.199 5.956 -11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.214 5.377 -11.403 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.048 5.501 -13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.874 7.250 -11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.199 8.883 -11.962 1.00 0.00 H new ATOM 274 N GLY A 19 0.032 2.983 -13.905 1.00 0.00 N ATOM 275 CA GLY A 19 0.317 2.437 -15.274 1.00 0.00 C ATOM 276 C GLY A 19 1.379 3.289 -15.978 1.00 0.00 C ATOM 277 O GLY A 19 1.269 3.594 -17.147 1.00 0.00 O ATOM 0 H GLY A 19 0.767 2.820 -13.217 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.661 1.406 -15.197 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.599 2.424 -15.865 1.00 0.00 H new ATOM 281 N GLY A 20 2.391 3.656 -15.243 1.00 0.00 N ATOM 282 CA GLY A 20 3.488 4.487 -15.823 1.00 0.00 C ATOM 283 C GLY A 20 4.834 4.008 -15.281 1.00 0.00 C ATOM 284 O GLY A 20 4.902 2.976 -14.639 1.00 0.00 O ATOM 0 H GLY A 20 2.508 3.415 -14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.476 4.416 -16.911 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.335 5.536 -15.571 1.00 0.00 H new ATOM 288 N PRO A 21 5.878 4.760 -15.538 1.00 0.00 N ATOM 289 CA PRO A 21 7.233 4.412 -15.034 1.00 0.00 C ATOM 290 C PRO A 21 7.285 4.614 -13.507 1.00 0.00 C ATOM 291 O PRO A 21 6.709 5.551 -12.987 1.00 0.00 O ATOM 292 CB PRO A 21 8.151 5.344 -15.809 1.00 0.00 C ATOM 293 CG PRO A 21 7.262 6.613 -15.945 1.00 0.00 C ATOM 294 CD PRO A 21 5.886 6.023 -16.329 1.00 0.00 C ATOM 0 HA PRO A 21 7.524 3.372 -15.185 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.077 5.548 -15.272 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.429 4.932 -16.779 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.215 7.177 -15.013 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.639 7.292 -16.710 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.064 6.685 -16.055 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.803 5.838 -17.400 1.00 0.00 H new ATOM 302 N GLY A 22 7.978 3.751 -12.811 1.00 0.00 N ATOM 303 CA GLY A 22 8.068 3.882 -11.334 1.00 0.00 C ATOM 304 C GLY A 22 8.283 2.489 -10.745 1.00 0.00 C ATOM 305 O GLY A 22 8.709 1.605 -11.458 1.00 0.00 O ATOM 0 H GLY A 22 8.486 2.960 -13.207 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.891 4.542 -11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.156 4.327 -10.935 1.00 0.00 H new ATOM 309 N PRO A 23 7.982 2.314 -9.484 1.00 0.00 N ATOM 310 CA PRO A 23 7.373 3.349 -8.616 1.00 0.00 C ATOM 311 C PRO A 23 8.355 4.473 -8.265 1.00 0.00 C ATOM 312 O PRO A 23 8.167 5.595 -8.697 1.00 0.00 O ATOM 313 CB PRO A 23 6.897 2.549 -7.415 1.00 0.00 C ATOM 314 CG PRO A 23 7.913 1.379 -7.310 1.00 0.00 C ATOM 315 CD PRO A 23 8.207 1.041 -8.778 1.00 0.00 C ATOM 0 HA PRO A 23 6.558 3.892 -9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.893 3.155 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.881 2.182 -7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.816 1.676 -6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.493 0.527 -6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.229 0.686 -8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.547 0.256 -9.148 1.00 0.00 H new ATOM 323 N SER A 24 9.368 4.121 -7.519 1.00 0.00 N ATOM 324 CA SER A 24 10.407 5.105 -7.071 1.00 0.00 C ATOM 325 C SER A 24 11.379 4.416 -6.125 1.00 0.00 C ATOM 326 O SER A 24 11.106 3.332 -5.648 1.00 0.00 O ATOM 327 CB SER A 24 9.705 6.246 -6.328 1.00 0.00 C ATOM 328 OG SER A 24 8.986 5.509 -5.338 1.00 0.00 O ATOM 0 H SER A 24 9.526 3.168 -7.191 1.00 0.00 H new ATOM 0 HA SER A 24 10.952 5.493 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.411 6.951 -5.889 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.045 6.820 -6.978 1.00 0.00 H new ATOM 0 HG SER A 24 8.056 5.397 -5.625 1.00 0.00 H new ATOM 334 N GLY A 25 12.489 5.053 -5.868 1.00 0.00 N ATOM 335 CA GLY A 25 13.477 4.442 -4.933 1.00 0.00 C ATOM 336 C GLY A 25 12.926 4.637 -3.507 1.00 0.00 C ATOM 337 O GLY A 25 13.520 4.170 -2.557 1.00 0.00 O ATOM 0 H GLY A 25 12.753 5.958 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.613 3.383 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.453 4.917 -5.038 1.00 0.00 H new ATOM 341 N GLN A 26 11.811 5.323 -3.394 1.00 0.00 N ATOM 342 CA GLN A 26 11.192 5.566 -2.045 1.00 0.00 C ATOM 343 C GLN A 26 10.070 4.541 -1.844 1.00 0.00 C ATOM 344 O GLN A 26 9.718 4.248 -0.723 1.00 0.00 O ATOM 345 CB GLN A 26 10.614 6.993 -2.005 1.00 0.00 C ATOM 346 CG GLN A 26 11.115 7.730 -0.752 1.00 0.00 C ATOM 347 CD GLN A 26 12.626 7.957 -0.835 1.00 0.00 C ATOM 348 OE1 GLN A 26 13.328 7.401 -1.776 1.00 0.00 O flip ATOM 349 NE2 GLN A 26 13.210 8.652 -0.037 1.00 0.00 N flip ATOM 0 H GLN A 26 11.300 5.727 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 26 11.935 5.463 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.910 7.539 -2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.525 6.953 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.602 8.687 -0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.876 7.149 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.695 9.106 0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.218 8.784 -0.117 1.00 0.00 H new ATOM 358 N CYS A 27 9.523 4.020 -2.913 1.00 0.00 N ATOM 359 CA CYS A 27 8.433 3.008 -2.776 1.00 0.00 C ATOM 360 C CYS A 27 8.884 1.840 -1.896 1.00 0.00 C ATOM 361 O CYS A 27 8.105 1.300 -1.142 1.00 0.00 O ATOM 362 CB CYS A 27 8.054 2.527 -4.175 1.00 0.00 C ATOM 363 SG CYS A 27 6.870 1.162 -4.298 1.00 0.00 S ATOM 0 H CYS A 27 9.783 4.251 -3.872 1.00 0.00 H new ATOM 0 HA CYS A 27 7.565 3.456 -2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.646 3.376 -4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.968 2.226 -4.686 1.00 0.00 H new ATOM 368 N CYS A 28 10.133 1.477 -1.997 1.00 0.00 N ATOM 369 CA CYS A 28 10.621 0.341 -1.161 1.00 0.00 C ATOM 370 C CYS A 28 10.999 0.805 0.233 1.00 0.00 C ATOM 371 O CYS A 28 10.420 0.349 1.187 1.00 0.00 O ATOM 372 CB CYS A 28 11.806 -0.284 -1.872 1.00 0.00 C ATOM 373 SG CYS A 28 11.236 -1.387 -3.175 1.00 0.00 S ATOM 0 H CYS A 28 10.826 1.907 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 28 9.828 -0.397 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.438 0.496 -2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.417 -0.837 -1.159 1.00 0.00 H new ATOM 378 N ASP A 29 11.929 1.698 0.359 1.00 0.00 N ATOM 379 CA ASP A 29 12.316 2.164 1.722 1.00 0.00 C ATOM 380 C ASP A 29 11.125 2.801 2.442 1.00 0.00 C ATOM 381 O ASP A 29 10.939 2.605 3.625 1.00 0.00 O ATOM 382 CB ASP A 29 13.453 3.188 1.598 1.00 0.00 C ATOM 383 CG ASP A 29 14.494 2.806 2.656 1.00 0.00 C ATOM 384 OD1 ASP A 29 15.012 1.709 2.522 1.00 0.00 O ATOM 385 OD2 ASP A 29 14.701 3.622 3.532 1.00 0.00 O ATOM 0 H ASP A 29 12.439 2.127 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 29 12.647 1.305 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.888 3.166 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.084 4.200 1.763 1.00 0.00 H new ATOM 390 N GLY A 30 10.332 3.538 1.717 1.00 0.00 N ATOM 391 CA GLY A 30 9.144 4.211 2.319 1.00 0.00 C ATOM 392 C GLY A 30 8.104 3.203 2.807 1.00 0.00 C ATOM 393 O GLY A 30 7.653 3.251 3.940 1.00 0.00 O ATOM 0 H GLY A 30 10.457 3.706 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.464 4.835 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.690 4.873 1.582 1.00 0.00 H new ATOM 397 N VAL A 31 7.751 2.275 1.960 1.00 0.00 N ATOM 398 CA VAL A 31 6.729 1.267 2.357 1.00 0.00 C ATOM 399 C VAL A 31 7.332 0.187 3.274 1.00 0.00 C ATOM 400 O VAL A 31 6.666 -0.232 4.201 1.00 0.00 O ATOM 401 CB VAL A 31 6.152 0.745 1.014 1.00 0.00 C ATOM 402 CG1 VAL A 31 4.966 -0.150 1.250 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.650 1.925 0.213 1.00 0.00 C ATOM 0 H VAL A 31 8.124 2.172 1.016 1.00 0.00 H new ATOM 0 HA VAL A 31 5.925 1.678 2.968 1.00 0.00 H new ATOM 0 HB VAL A 31 6.939 0.196 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.580 -0.503 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.269 -1.004 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.188 0.407 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.241 1.574 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.872 2.442 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.475 2.611 0.020 1.00 0.00 H new ATOM 413 N LYS A 32 8.540 -0.237 3.024 1.00 0.00 N ATOM 414 CA LYS A 32 9.204 -1.273 3.871 1.00 0.00 C ATOM 415 C LYS A 32 9.129 -0.762 5.321 1.00 0.00 C ATOM 416 O LYS A 32 8.806 -1.501 6.235 1.00 0.00 O ATOM 417 CB LYS A 32 10.650 -1.413 3.403 1.00 0.00 C ATOM 418 CG LYS A 32 11.325 -2.567 4.131 1.00 0.00 C ATOM 419 CD LYS A 32 12.792 -2.593 3.686 1.00 0.00 C ATOM 420 CE LYS A 32 13.513 -3.737 4.405 1.00 0.00 C ATOM 421 NZ LYS A 32 14.976 -3.635 4.151 1.00 0.00 N ATOM 0 H LYS A 32 9.110 0.099 2.248 1.00 0.00 H new ATOM 0 HA LYS A 32 8.728 -2.251 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.677 -1.586 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.193 -0.487 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.253 -2.434 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.835 -3.511 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.855 -2.728 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.272 -1.642 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.314 -3.691 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.137 -4.697 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.468 -4.411 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.156 -3.699 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.328 -2.724 4.508 1.00 0.00 H new ATOM 435 N ASN A 33 9.406 0.510 5.487 1.00 0.00 N ATOM 436 CA ASN A 33 9.360 1.135 6.853 1.00 0.00 C ATOM 437 C ASN A 33 7.953 0.975 7.424 1.00 0.00 C ATOM 438 O ASN A 33 7.745 0.396 8.474 1.00 0.00 O ATOM 439 CB ASN A 33 9.677 2.635 6.744 1.00 0.00 C ATOM 440 CG ASN A 33 11.136 2.877 7.084 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.522 2.831 8.231 1.00 0.00 O ATOM 442 ND2 ASN A 33 11.981 3.136 6.136 1.00 0.00 N ATOM 0 H ASN A 33 9.663 1.147 4.733 1.00 0.00 H new ATOM 0 HA ASN A 33 10.091 0.649 7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.466 2.989 5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.037 3.202 7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.963 3.299 6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.664 3.177 5.167 1.00 0.00 H new ATOM 449 N LEU A 34 7.002 1.481 6.697 1.00 0.00 N ATOM 450 CA LEU A 34 5.556 1.418 7.093 1.00 0.00 C ATOM 451 C LEU A 34 5.166 -0.004 7.531 1.00 0.00 C ATOM 452 O LEU A 34 4.667 -0.268 8.610 1.00 0.00 O ATOM 453 CB LEU A 34 4.709 1.833 5.864 1.00 0.00 C ATOM 454 CG LEU A 34 3.181 1.624 6.064 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.656 2.650 7.035 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.485 1.715 4.727 1.00 0.00 C ATOM 0 H LEU A 34 7.167 1.955 5.809 1.00 0.00 H new ATOM 0 HA LEU A 34 5.378 2.088 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.898 2.883 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.036 1.259 4.997 1.00 0.00 H new ATOM 0 HG LEU A 34 2.985 0.636 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.585 2.504 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.166 2.539 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.837 3.650 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.414 1.569 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.664 2.697 4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.874 0.945 4.061 1.00 0.00 H new ATOM 468 N HIS A 35 5.416 -0.904 6.627 1.00 0.00 N ATOM 469 CA HIS A 35 5.096 -2.339 6.878 1.00 0.00 C ATOM 470 C HIS A 35 5.681 -2.778 8.230 1.00 0.00 C ATOM 471 O HIS A 35 4.967 -3.230 9.106 1.00 0.00 O ATOM 472 CB HIS A 35 5.695 -3.131 5.721 1.00 0.00 C ATOM 473 CG HIS A 35 5.200 -4.573 5.718 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.781 -5.537 5.096 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.101 -5.166 6.311 1.00 0.00 C ATOM 476 CE1 HIS A 35 5.120 -6.637 5.272 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.066 -6.452 6.024 1.00 0.00 N ATOM 0 H HIS A 35 5.832 -0.709 5.716 1.00 0.00 H new ATOM 0 HA HIS A 35 4.021 -2.510 6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.433 -2.653 4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.782 -3.118 5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.375 -4.650 6.922 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.404 -7.590 4.850 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.377 -7.143 6.320 1.00 0.00 H new ATOM 485 N ASN A 36 6.971 -2.605 8.359 1.00 0.00 N ATOM 486 CA ASN A 36 7.690 -2.987 9.617 1.00 0.00 C ATOM 487 C ASN A 36 7.072 -2.286 10.833 1.00 0.00 C ATOM 488 O ASN A 36 7.070 -2.811 11.929 1.00 0.00 O ATOM 489 CB ASN A 36 9.183 -2.572 9.520 1.00 0.00 C ATOM 490 CG ASN A 36 10.010 -3.426 10.492 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.490 -4.489 10.154 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.205 -3.013 11.708 1.00 0.00 N ATOM 0 H ASN A 36 7.569 -2.208 7.634 1.00 0.00 H new ATOM 0 HA ASN A 36 7.603 -4.067 9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.545 -2.707 8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.295 -1.515 9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.752 -3.579 12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.811 -2.123 12.014 1.00 0.00 H new ATOM 499 N GLN A 37 6.582 -1.100 10.611 1.00 0.00 N ATOM 500 CA GLN A 37 5.953 -0.307 11.701 1.00 0.00 C ATOM 501 C GLN A 37 4.578 -0.879 12.084 1.00 0.00 C ATOM 502 O GLN A 37 4.105 -0.671 13.188 1.00 0.00 O ATOM 503 CB GLN A 37 5.865 1.127 11.154 1.00 0.00 C ATOM 504 CG GLN A 37 5.612 2.139 12.261 1.00 0.00 C ATOM 505 CD GLN A 37 5.513 3.529 11.628 1.00 0.00 C ATOM 506 OE1 GLN A 37 4.483 4.275 11.893 1.00 0.00 O flip ATOM 507 NE2 GLN A 37 6.377 3.951 10.885 1.00 0.00 N flip ATOM 0 H GLN A 37 6.591 -0.638 9.702 1.00 0.00 H new ATOM 0 HA GLN A 37 6.534 -0.337 12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.792 1.377 10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.064 1.186 10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.692 1.898 12.793 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.420 2.112 12.992 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.190 3.375 10.669 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.289 4.882 10.477 1.00 0.00 H new ATOM 516 N ALA A 38 3.953 -1.574 11.178 1.00 0.00 N ATOM 517 CA ALA A 38 2.615 -2.140 11.507 1.00 0.00 C ATOM 518 C ALA A 38 2.812 -3.379 12.394 1.00 0.00 C ATOM 519 O ALA A 38 2.730 -4.506 11.942 1.00 0.00 O ATOM 520 CB ALA A 38 1.964 -2.413 10.172 1.00 0.00 C ATOM 0 H ALA A 38 4.301 -1.773 10.240 1.00 0.00 H new ATOM 0 HA ALA A 38 1.967 -1.479 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.971 -2.833 10.331 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.879 -1.482 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.572 -3.121 9.609 1.00 0.00 H new ATOM 526 N ARG A 39 3.098 -3.104 13.642 1.00 0.00 N ATOM 527 CA ARG A 39 3.316 -4.174 14.664 1.00 0.00 C ATOM 528 C ARG A 39 1.992 -4.382 15.421 1.00 0.00 C ATOM 529 O ARG A 39 1.744 -5.458 15.932 1.00 0.00 O ATOM 530 CB ARG A 39 4.381 -3.738 15.679 1.00 0.00 C ATOM 531 CG ARG A 39 4.742 -4.956 16.591 1.00 0.00 C ATOM 532 CD ARG A 39 5.184 -4.497 17.998 1.00 0.00 C ATOM 533 NE ARG A 39 6.474 -3.739 17.899 1.00 0.00 N ATOM 534 CZ ARG A 39 6.563 -2.553 18.419 1.00 0.00 C ATOM 535 NH1 ARG A 39 6.663 -2.463 19.708 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.543 -1.539 17.611 1.00 0.00 N ATOM 0 H ARG A 39 3.192 -2.155 14.005 1.00 0.00 H new ATOM 0 HA ARG A 39 3.645 -5.087 14.168 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.270 -3.379 15.161 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.009 -2.911 16.284 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.879 -5.616 16.677 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.541 -5.535 16.128 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.414 -3.868 18.444 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.308 -5.361 18.651 1.00 0.00 H new ATOM 0 HE ARG A 39 7.277 -4.153 17.426 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.670 -3.308 20.279 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.735 -1.547 20.151 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.460 -1.690 16.606 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.611 -0.591 17.981 1.00 0.00 H new ATOM 550 N SER A 40 1.165 -3.365 15.473 1.00 0.00 N ATOM 551 CA SER A 40 -0.132 -3.533 16.213 1.00 0.00 C ATOM 552 C SER A 40 -1.304 -3.692 15.244 1.00 0.00 C ATOM 553 O SER A 40 -1.335 -3.111 14.172 1.00 0.00 O ATOM 554 CB SER A 40 -0.413 -2.308 17.089 1.00 0.00 C ATOM 555 OG SER A 40 0.864 -1.905 17.564 1.00 0.00 O ATOM 0 H SER A 40 1.322 -2.450 15.050 1.00 0.00 H new ATOM 0 HA SER A 40 -0.036 -4.428 16.828 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.892 -1.513 16.517 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.082 -2.555 17.913 1.00 0.00 H new ATOM 0 HG SER A 40 1.128 -1.070 17.124 1.00 0.00 H new ATOM 561 N GLN A 41 -2.279 -4.461 15.650 1.00 0.00 N ATOM 562 CA GLN A 41 -3.462 -4.676 14.761 1.00 0.00 C ATOM 563 C GLN A 41 -4.028 -3.325 14.285 1.00 0.00 C ATOM 564 O GLN A 41 -4.456 -3.183 13.160 1.00 0.00 O ATOM 565 CB GLN A 41 -4.541 -5.458 15.522 1.00 0.00 C ATOM 566 CG GLN A 41 -5.524 -5.993 14.464 1.00 0.00 C ATOM 567 CD GLN A 41 -6.795 -6.443 15.155 1.00 0.00 C ATOM 568 OE1 GLN A 41 -7.872 -5.757 14.920 1.00 0.00 O flip ATOM 569 NE2 GLN A 41 -6.840 -7.395 15.908 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.310 -4.945 16.547 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.149 -5.248 13.887 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.099 -6.277 16.089 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.054 -4.815 16.237 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.748 -5.217 13.732 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.076 -6.825 13.920 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.997 -7.937 16.096 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.721 -7.652 16.353 1.00 0.00 H new ATOM 578 N SER A 42 -3.980 -2.343 15.136 1.00 0.00 N ATOM 579 CA SER A 42 -4.512 -0.997 14.768 1.00 0.00 C ATOM 580 C SER A 42 -3.583 -0.265 13.788 1.00 0.00 C ATOM 581 O SER A 42 -4.055 0.521 12.986 1.00 0.00 O ATOM 582 CB SER A 42 -4.680 -0.218 16.102 1.00 0.00 C ATOM 583 OG SER A 42 -5.390 0.983 15.830 1.00 0.00 O ATOM 0 H SER A 42 -3.594 -2.411 16.077 1.00 0.00 H new ATOM 0 HA SER A 42 -5.465 -1.083 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.221 -0.823 16.830 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.706 0.007 16.536 1.00 0.00 H new ATOM 0 HG SER A 42 -5.508 1.489 16.661 1.00 0.00 H new ATOM 589 N ASP A 43 -2.306 -0.544 13.848 1.00 0.00 N ATOM 590 CA ASP A 43 -1.329 0.115 12.961 1.00 0.00 C ATOM 591 C ASP A 43 -1.447 -0.421 11.527 1.00 0.00 C ATOM 592 O ASP A 43 -1.236 0.311 10.577 1.00 0.00 O ATOM 593 CB ASP A 43 0.012 -0.126 13.706 1.00 0.00 C ATOM 594 CG ASP A 43 0.055 0.761 14.984 1.00 0.00 C ATOM 595 OD1 ASP A 43 -0.498 1.863 14.950 1.00 0.00 O ATOM 596 OD2 ASP A 43 0.646 0.285 15.937 1.00 0.00 O ATOM 0 H ASP A 43 -1.900 -1.220 14.495 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.469 1.183 12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.108 -1.178 13.976 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.852 0.114 13.054 1.00 0.00 H new ATOM 601 N ARG A 44 -1.805 -1.672 11.417 1.00 0.00 N ATOM 602 CA ARG A 44 -1.969 -2.332 10.079 1.00 0.00 C ATOM 603 C ARG A 44 -3.288 -1.805 9.482 1.00 0.00 C ATOM 604 O ARG A 44 -3.316 -1.304 8.371 1.00 0.00 O ATOM 605 CB ARG A 44 -2.139 -3.856 10.205 1.00 0.00 C ATOM 606 CG ARG A 44 -1.018 -4.792 9.705 1.00 0.00 C ATOM 607 CD ARG A 44 -0.092 -5.277 10.838 1.00 0.00 C ATOM 608 NE ARG A 44 0.596 -6.490 10.297 1.00 0.00 N ATOM 609 CZ ARG A 44 1.169 -7.382 11.063 1.00 0.00 C ATOM 610 NH1 ARG A 44 2.342 -7.118 11.557 1.00 0.00 N ATOM 611 NH2 ARG A 44 0.532 -8.499 11.286 1.00 0.00 N ATOM 0 H ARG A 44 -1.996 -2.281 12.213 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.087 -2.117 9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.305 -4.080 11.259 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.052 -4.127 9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.465 -5.656 9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.424 -4.270 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.628 -4.507 11.113 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.662 -5.516 11.736 1.00 0.00 H new ATOM 0 HE ARG A 44 0.619 -6.628 9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.797 -6.230 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.808 -7.799 12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.385 -8.656 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.951 -9.215 11.879 1.00 0.00 H new ATOM 625 N GLN A 45 -4.342 -1.924 10.257 1.00 0.00 N ATOM 626 CA GLN A 45 -5.680 -1.468 9.829 1.00 0.00 C ATOM 627 C GLN A 45 -5.591 -0.037 9.297 1.00 0.00 C ATOM 628 O GLN A 45 -6.142 0.293 8.269 1.00 0.00 O ATOM 629 CB GLN A 45 -6.546 -1.604 11.066 1.00 0.00 C ATOM 630 CG GLN A 45 -6.860 -3.091 11.330 1.00 0.00 C ATOM 631 CD GLN A 45 -7.761 -3.236 12.542 1.00 0.00 C ATOM 632 OE1 GLN A 45 -7.489 -2.700 13.597 1.00 0.00 O ATOM 633 NE2 GLN A 45 -8.853 -3.950 12.485 1.00 0.00 N ATOM 0 H GLN A 45 -4.316 -2.331 11.192 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.105 -2.049 9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.035 -1.173 11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.473 -1.046 10.934 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.343 -3.528 10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.933 -3.642 11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.114 -4.415 11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.445 -4.043 13.310 1.00 0.00 H new ATOM 642 N SER A 46 -4.867 0.797 9.992 1.00 0.00 N ATOM 643 CA SER A 46 -4.719 2.223 9.552 1.00 0.00 C ATOM 644 C SER A 46 -4.139 2.317 8.136 1.00 0.00 C ATOM 645 O SER A 46 -4.761 2.805 7.209 1.00 0.00 O ATOM 646 CB SER A 46 -3.752 2.984 10.512 1.00 0.00 C ATOM 647 OG SER A 46 -4.403 3.367 11.722 1.00 0.00 O ATOM 0 H SER A 46 -4.368 0.556 10.849 1.00 0.00 H new ATOM 0 HA SER A 46 -5.714 2.668 9.569 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.896 2.350 10.744 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.365 3.871 10.011 1.00 0.00 H new ATOM 0 HG SER A 46 -3.956 4.153 12.099 1.00 0.00 H new ATOM 653 N ALA A 47 -2.935 1.823 7.985 1.00 0.00 N ATOM 654 CA ALA A 47 -2.297 1.885 6.641 1.00 0.00 C ATOM 655 C ALA A 47 -3.144 1.174 5.593 1.00 0.00 C ATOM 656 O ALA A 47 -3.302 1.670 4.493 1.00 0.00 O ATOM 657 CB ALA A 47 -0.930 1.259 6.743 1.00 0.00 C ATOM 0 H ALA A 47 -2.378 1.388 8.721 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.210 2.924 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.441 1.292 5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.331 1.809 7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.028 0.222 7.065 1.00 0.00 H new ATOM 663 N CYS A 48 -3.688 0.035 5.933 1.00 0.00 N ATOM 664 CA CYS A 48 -4.533 -0.697 4.942 1.00 0.00 C ATOM 665 C CYS A 48 -5.654 0.245 4.444 1.00 0.00 C ATOM 666 O CYS A 48 -5.969 0.307 3.261 1.00 0.00 O ATOM 667 CB CYS A 48 -5.102 -1.926 5.621 1.00 0.00 C ATOM 668 SG CYS A 48 -5.711 -3.203 4.498 1.00 0.00 S ATOM 0 H CYS A 48 -3.586 -0.416 6.842 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.948 -1.012 4.078 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.332 -2.360 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.919 -1.617 6.274 1.00 0.00 H new ATOM 673 N ASN A 49 -6.220 0.989 5.361 1.00 0.00 N ATOM 674 CA ASN A 49 -7.312 1.938 4.969 1.00 0.00 C ATOM 675 C ASN A 49 -6.828 2.963 3.941 1.00 0.00 C ATOM 676 O ASN A 49 -7.562 3.259 3.020 1.00 0.00 O ATOM 677 CB ASN A 49 -7.815 2.619 6.244 1.00 0.00 C ATOM 678 CG ASN A 49 -8.915 1.781 6.788 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.040 1.826 6.346 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.681 0.982 7.749 1.00 0.00 N ATOM 0 H ASN A 49 -5.979 0.983 6.352 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.124 1.392 4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.009 2.715 6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.171 3.626 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.432 0.403 8.125 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.743 0.920 8.144 1.00 0.00 H new ATOM 687 N CYS A 50 -5.625 3.441 4.118 1.00 0.00 N ATOM 688 CA CYS A 50 -5.049 4.449 3.179 1.00 0.00 C ATOM 689 C CYS A 50 -5.141 3.947 1.738 1.00 0.00 C ATOM 690 O CYS A 50 -5.731 4.574 0.873 1.00 0.00 O ATOM 691 CB CYS A 50 -3.598 4.698 3.586 1.00 0.00 C ATOM 692 SG CYS A 50 -3.403 5.378 5.247 1.00 0.00 S ATOM 0 H CYS A 50 -5.008 3.172 4.884 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.609 5.383 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.048 3.759 3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.143 5.382 2.870 1.00 0.00 H new ATOM 697 N LEU A 51 -4.591 2.788 1.511 1.00 0.00 N ATOM 698 CA LEU A 51 -4.615 2.204 0.135 1.00 0.00 C ATOM 699 C LEU A 51 -6.053 1.997 -0.350 1.00 0.00 C ATOM 700 O LEU A 51 -6.380 2.331 -1.475 1.00 0.00 O ATOM 701 CB LEU A 51 -3.865 0.866 0.139 1.00 0.00 C ATOM 702 CG LEU A 51 -2.353 1.047 0.510 1.00 0.00 C ATOM 703 CD1 LEU A 51 -2.110 1.021 1.998 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.516 0.003 -0.182 1.00 0.00 C ATOM 0 H LEU A 51 -4.125 2.217 2.216 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.126 2.899 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.335 0.188 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.945 0.402 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.056 2.036 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.046 1.151 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.668 1.828 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.440 0.065 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.468 0.141 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.842 -0.990 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.631 0.101 -1.261 1.00 0.00 H new ATOM 716 N LYS A 52 -6.870 1.466 0.515 1.00 0.00 N ATOM 717 CA LYS A 52 -8.304 1.202 0.197 1.00 0.00 C ATOM 718 C LYS A 52 -8.992 2.523 -0.225 1.00 0.00 C ATOM 719 O LYS A 52 -9.516 2.643 -1.318 1.00 0.00 O ATOM 720 CB LYS A 52 -8.854 0.556 1.513 1.00 0.00 C ATOM 721 CG LYS A 52 -9.771 -0.631 1.232 1.00 0.00 C ATOM 722 CD LYS A 52 -11.222 -0.173 1.221 1.00 0.00 C ATOM 723 CE LYS A 52 -12.045 -1.299 0.617 1.00 0.00 C ATOM 724 NZ LYS A 52 -13.484 -0.941 0.742 1.00 0.00 N ATOM 0 H LYS A 52 -6.596 1.195 1.459 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.482 0.535 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.019 0.229 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.399 1.307 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.515 -1.080 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.629 -1.399 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.562 0.052 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.333 0.740 0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.779 -1.445 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.841 -2.238 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.067 -1.699 0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.726 -0.821 1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.666 -0.053 0.233 1.00 0.00 H new ATOM 738 N GLY A 53 -8.962 3.492 0.650 1.00 0.00 N ATOM 739 CA GLY A 53 -9.587 4.822 0.370 1.00 0.00 C ATOM 740 C GLY A 53 -9.048 5.347 -0.959 1.00 0.00 C ATOM 741 O GLY A 53 -9.820 5.755 -1.810 1.00 0.00 O ATOM 0 H GLY A 53 -8.522 3.418 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.672 4.728 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.360 5.523 1.173 1.00 0.00 H new ATOM 745 N ILE A 54 -7.747 5.302 -1.102 1.00 0.00 N ATOM 746 CA ILE A 54 -7.078 5.776 -2.352 1.00 0.00 C ATOM 747 C ILE A 54 -7.640 5.076 -3.600 1.00 0.00 C ATOM 748 O ILE A 54 -8.262 5.671 -4.460 1.00 0.00 O ATOM 749 CB ILE A 54 -5.535 5.491 -2.170 1.00 0.00 C ATOM 750 CG1 ILE A 54 -4.902 6.520 -1.174 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.788 5.467 -3.484 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.434 6.129 -0.814 1.00 0.00 C ATOM 0 H ILE A 54 -7.108 4.949 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.261 6.839 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.440 4.491 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.917 7.516 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.502 6.566 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.733 5.267 -3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.199 4.685 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.893 6.432 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.022 6.862 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.424 5.144 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.830 6.108 -1.721 1.00 0.00 H new ATOM 764 N ALA A 55 -7.404 3.796 -3.665 1.00 0.00 N ATOM 765 CA ALA A 55 -7.878 2.986 -4.821 1.00 0.00 C ATOM 766 C ALA A 55 -9.359 3.258 -5.127 1.00 0.00 C ATOM 767 O ALA A 55 -9.770 3.230 -6.267 1.00 0.00 O ATOM 768 CB ALA A 55 -7.652 1.540 -4.463 1.00 0.00 C ATOM 0 H ALA A 55 -6.895 3.269 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.329 3.251 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.986 0.905 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.590 1.371 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.216 1.296 -3.563 1.00 0.00 H new ATOM 774 N ARG A 56 -10.127 3.505 -4.093 1.00 0.00 N ATOM 775 CA ARG A 56 -11.584 3.785 -4.283 1.00 0.00 C ATOM 776 C ARG A 56 -11.804 5.089 -5.054 1.00 0.00 C ATOM 777 O ARG A 56 -12.781 5.211 -5.766 1.00 0.00 O ATOM 778 CB ARG A 56 -12.301 3.917 -2.907 1.00 0.00 C ATOM 779 CG ARG A 56 -13.850 3.856 -3.132 1.00 0.00 C ATOM 780 CD ARG A 56 -14.641 4.276 -1.871 1.00 0.00 C ATOM 781 NE ARG A 56 -14.630 5.774 -1.757 1.00 0.00 N ATOM 782 CZ ARG A 56 -15.751 6.447 -1.719 1.00 0.00 C ATOM 783 NH1 ARG A 56 -16.511 6.452 -2.774 1.00 0.00 N ATOM 784 NH2 ARG A 56 -16.060 7.078 -0.627 1.00 0.00 N ATOM 0 H ARG A 56 -9.807 3.525 -3.125 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.996 2.949 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.986 3.115 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.027 4.857 -2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.121 4.508 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.134 2.843 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.666 3.912 -1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.196 3.828 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.740 6.271 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.229 5.938 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.390 6.970 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.434 7.042 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.929 7.610 -0.574 1.00 0.00 H new ATOM 798 N GLY A 57 -10.914 6.031 -4.887 1.00 0.00 N ATOM 799 CA GLY A 57 -11.062 7.335 -5.603 1.00 0.00 C ATOM 800 C GLY A 57 -10.429 7.248 -6.991 1.00 0.00 C ATOM 801 O GLY A 57 -10.852 7.944 -7.893 1.00 0.00 O ATOM 0 H GLY A 57 -10.092 5.956 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.118 7.592 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.588 8.130 -5.028 1.00 0.00 H new ATOM 805 N ILE A 58 -9.438 6.410 -7.140 1.00 0.00 N ATOM 806 CA ILE A 58 -8.771 6.275 -8.484 1.00 0.00 C ATOM 807 C ILE A 58 -9.699 5.495 -9.432 1.00 0.00 C ATOM 808 O ILE A 58 -10.373 4.573 -9.024 1.00 0.00 O ATOM 809 CB ILE A 58 -7.417 5.497 -8.342 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.538 6.169 -7.239 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.667 5.502 -9.659 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.218 5.374 -7.029 1.00 0.00 C ATOM 0 H ILE A 58 -9.059 5.816 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.573 7.270 -8.883 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.632 4.466 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.309 7.196 -7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.093 6.215 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.729 4.958 -9.546 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.275 5.021 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.457 6.530 -9.954 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.620 5.859 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.452 4.355 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.655 5.350 -7.962 1.00 0.00 H new ATOM 824 N HIS A 59 -9.717 5.881 -10.683 1.00 0.00 N ATOM 825 CA HIS A 59 -10.595 5.168 -11.661 1.00 0.00 C ATOM 826 C HIS A 59 -9.735 4.253 -12.542 1.00 0.00 C ATOM 827 O HIS A 59 -10.092 3.114 -12.777 1.00 0.00 O ATOM 828 CB HIS A 59 -11.341 6.218 -12.512 1.00 0.00 C ATOM 829 CG HIS A 59 -12.530 5.535 -13.197 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.432 4.839 -12.580 1.00 0.00 N ATOM 831 CD2 HIS A 59 -12.915 5.497 -14.525 1.00 0.00 C ATOM 832 CE1 HIS A 59 -14.303 4.404 -13.436 1.00 0.00 C ATOM 833 NE2 HIS A 59 -14.019 4.788 -14.656 1.00 0.00 N ATOM 0 H HIS A 59 -9.168 6.650 -11.067 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.327 4.550 -11.141 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.687 7.039 -11.883 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.671 6.647 -13.257 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.388 5.978 -15.336 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.159 3.799 -13.175 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.535 4.585 -15.512 1.00 0.00 H new ATOM 841 N ASN A 60 -8.615 4.742 -13.011 1.00 0.00 N ATOM 842 CA ASN A 60 -7.744 3.881 -13.878 1.00 0.00 C ATOM 843 C ASN A 60 -6.696 3.205 -12.972 1.00 0.00 C ATOM 844 O ASN A 60 -5.512 3.482 -13.035 1.00 0.00 O ATOM 845 CB ASN A 60 -7.048 4.763 -14.963 1.00 0.00 C ATOM 846 CG ASN A 60 -7.002 3.997 -16.295 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.978 3.921 -17.013 1.00 0.00 O ATOM 848 ND2 ASN A 60 -5.911 3.406 -16.681 1.00 0.00 N ATOM 0 H ASN A 60 -8.267 5.685 -12.837 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.336 3.121 -14.389 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.591 5.700 -15.089 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.038 5.021 -14.644 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.892 2.897 -17.565 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.074 3.451 -16.100 1.00 0.00 H new ATOM 855 N LEU A 61 -7.161 2.322 -12.129 1.00 0.00 N ATOM 856 CA LEU A 61 -6.214 1.616 -11.210 1.00 0.00 C ATOM 857 C LEU A 61 -5.723 0.345 -11.910 1.00 0.00 C ATOM 858 O LEU A 61 -6.507 -0.346 -12.532 1.00 0.00 O ATOM 859 CB LEU A 61 -6.990 1.316 -9.906 1.00 0.00 C ATOM 860 CG LEU A 61 -6.115 0.616 -8.810 1.00 0.00 C ATOM 861 CD1 LEU A 61 -6.776 0.922 -7.489 1.00 0.00 C ATOM 862 CD2 LEU A 61 -6.117 -0.884 -8.995 1.00 0.00 C ATOM 0 H LEU A 61 -8.142 2.060 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.335 2.212 -10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.385 2.249 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.845 0.681 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.086 0.970 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.209 0.458 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.805 2.001 -7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.792 0.528 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.503 -1.347 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.138 -1.259 -8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.712 -1.130 -9.976 1.00 0.00 H new ATOM 874 N ASN A 62 -4.441 0.076 -11.797 1.00 0.00 N ATOM 875 CA ASN A 62 -3.874 -1.147 -12.445 1.00 0.00 C ATOM 876 C ASN A 62 -3.361 -2.130 -11.374 1.00 0.00 C ATOM 877 O ASN A 62 -2.278 -1.983 -10.824 1.00 0.00 O ATOM 878 CB ASN A 62 -2.752 -0.697 -13.377 1.00 0.00 C ATOM 879 CG ASN A 62 -2.268 -1.897 -14.173 1.00 0.00 C ATOM 880 OD1 ASN A 62 -2.982 -2.857 -14.379 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.057 -1.885 -14.646 1.00 0.00 N ATOM 0 H ASN A 62 -3.769 0.649 -11.287 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.637 -1.673 -13.018 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.109 0.083 -14.049 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.931 -0.270 -12.801 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.713 -2.679 -15.186 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.451 -1.082 -14.477 1.00 0.00 H new ATOM 888 N GLU A 63 -4.162 -3.124 -11.086 1.00 0.00 N ATOM 889 CA GLU A 63 -3.764 -4.138 -10.057 1.00 0.00 C ATOM 890 C GLU A 63 -2.434 -4.794 -10.459 1.00 0.00 C ATOM 891 O GLU A 63 -1.624 -5.096 -9.598 1.00 0.00 O ATOM 892 CB GLU A 63 -4.924 -5.200 -9.898 1.00 0.00 C ATOM 893 CG GLU A 63 -4.916 -6.411 -10.892 1.00 0.00 C ATOM 894 CD GLU A 63 -4.336 -7.652 -10.177 1.00 0.00 C ATOM 895 OE1 GLU A 63 -5.035 -8.165 -9.310 1.00 0.00 O ATOM 896 OE2 GLU A 63 -3.227 -8.043 -10.509 1.00 0.00 O ATOM 0 H GLU A 63 -5.073 -3.279 -11.517 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.611 -3.657 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.886 -5.594 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.877 -4.681 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.928 -6.617 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.319 -6.171 -11.772 1.00 0.00 H new ATOM 903 N ASP A 64 -2.232 -4.962 -11.738 1.00 0.00 N ATOM 904 CA ASP A 64 -0.977 -5.586 -12.247 1.00 0.00 C ATOM 905 C ASP A 64 0.261 -4.906 -11.631 1.00 0.00 C ATOM 906 O ASP A 64 1.134 -5.547 -11.074 1.00 0.00 O ATOM 907 CB ASP A 64 -1.051 -5.460 -13.784 1.00 0.00 C ATOM 908 CG ASP A 64 0.287 -5.764 -14.439 1.00 0.00 C ATOM 909 OD1 ASP A 64 0.648 -6.927 -14.413 1.00 0.00 O ATOM 910 OD2 ASP A 64 0.840 -4.785 -14.914 1.00 0.00 O ATOM 0 H ASP A 64 -2.895 -4.689 -12.463 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.881 -6.634 -11.964 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.808 -6.143 -14.169 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.366 -4.451 -14.052 1.00 0.00 H new ATOM 915 N ASN A 65 0.316 -3.600 -11.705 1.00 0.00 N ATOM 916 CA ASN A 65 1.508 -2.904 -11.126 1.00 0.00 C ATOM 917 C ASN A 65 1.428 -2.919 -9.590 1.00 0.00 C ATOM 918 O ASN A 65 2.411 -3.168 -8.915 1.00 0.00 O ATOM 919 CB ASN A 65 1.567 -1.473 -11.677 1.00 0.00 C ATOM 920 CG ASN A 65 2.002 -1.502 -13.157 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.680 -2.395 -13.627 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.643 -0.522 -13.928 1.00 0.00 N ATOM 0 H ASN A 65 -0.391 -2.998 -12.128 1.00 0.00 H new ATOM 0 HA ASN A 65 2.424 -3.422 -11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.591 -0.997 -11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.269 -0.877 -11.093 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.930 -0.512 -14.907 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.074 0.238 -13.555 1.00 0.00 H new ATOM 929 N ALA A 66 0.263 -2.661 -9.048 1.00 0.00 N ATOM 930 CA ALA A 66 0.089 -2.671 -7.548 1.00 0.00 C ATOM 931 C ALA A 66 0.695 -3.950 -6.933 1.00 0.00 C ATOM 932 O ALA A 66 1.301 -3.910 -5.874 1.00 0.00 O ATOM 933 CB ALA A 66 -1.384 -2.634 -7.215 1.00 0.00 C ATOM 0 H ALA A 66 -0.582 -2.442 -9.576 1.00 0.00 H new ATOM 0 HA ALA A 66 0.600 -1.799 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.513 -2.641 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.828 -1.728 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.876 -3.507 -7.645 1.00 0.00 H new ATOM 939 N ARG A 67 0.471 -5.034 -7.619 1.00 0.00 N ATOM 940 CA ARG A 67 0.974 -6.377 -7.205 1.00 0.00 C ATOM 941 C ARG A 67 2.473 -6.518 -7.530 1.00 0.00 C ATOM 942 O ARG A 67 3.199 -7.237 -6.869 1.00 0.00 O ATOM 943 CB ARG A 67 0.107 -7.370 -7.976 1.00 0.00 C ATOM 944 CG ARG A 67 0.746 -8.760 -8.169 1.00 0.00 C ATOM 945 CD ARG A 67 -0.262 -9.608 -8.960 1.00 0.00 C ATOM 946 NE ARG A 67 -1.033 -10.431 -7.976 1.00 0.00 N ATOM 947 CZ ARG A 67 -2.218 -10.065 -7.567 1.00 0.00 C ATOM 948 NH1 ARG A 67 -3.062 -9.605 -8.434 1.00 0.00 N ATOM 949 NH2 ARG A 67 -2.482 -10.178 -6.300 1.00 0.00 N ATOM 0 H ARG A 67 -0.063 -5.045 -8.488 1.00 0.00 H new ATOM 0 HA ARG A 67 0.900 -6.548 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.841 -7.489 -7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.121 -6.950 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.690 -8.680 -8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.967 -9.221 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.933 -8.969 -9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.255 -10.249 -9.674 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.625 -11.295 -7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.796 -9.534 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.993 -9.314 -8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.774 -10.542 -5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.397 -9.902 -5.943 1.00 0.00 H new ATOM 963 N SER A 68 2.885 -5.807 -8.539 1.00 0.00 N ATOM 964 CA SER A 68 4.310 -5.827 -9.005 1.00 0.00 C ATOM 965 C SER A 68 5.257 -5.060 -8.060 1.00 0.00 C ATOM 966 O SER A 68 6.458 -5.252 -8.100 1.00 0.00 O ATOM 967 CB SER A 68 4.255 -5.243 -10.452 1.00 0.00 C ATOM 968 OG SER A 68 5.569 -5.124 -10.985 1.00 0.00 O ATOM 0 H SER A 68 2.278 -5.192 -9.081 1.00 0.00 H new ATOM 0 HA SER A 68 4.732 -6.832 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.653 -5.890 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.770 -4.267 -10.440 1.00 0.00 H new ATOM 0 HG SER A 68 5.601 -4.372 -11.613 1.00 0.00 H new ATOM 974 N ILE A 69 4.724 -4.226 -7.208 1.00 0.00 N ATOM 975 CA ILE A 69 5.561 -3.435 -6.243 1.00 0.00 C ATOM 976 C ILE A 69 6.287 -4.364 -5.228 1.00 0.00 C ATOM 977 O ILE A 69 7.508 -4.418 -5.217 1.00 0.00 O ATOM 978 CB ILE A 69 4.584 -2.423 -5.538 1.00 0.00 C ATOM 979 CG1 ILE A 69 4.032 -1.398 -6.550 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.272 -1.720 -4.390 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.788 -0.707 -5.930 1.00 0.00 C ATOM 0 H ILE A 69 3.722 -4.052 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 69 6.358 -2.897 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 69 3.745 -2.991 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.794 -0.657 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.763 -1.895 -7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.576 -1.026 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.602 -2.457 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.135 -1.170 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.387 0.021 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.027 -1.456 -5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.075 -0.200 -5.009 1.00 0.00 H new ATOM 993 N PRO A 70 5.539 -5.086 -4.414 1.00 0.00 N ATOM 994 CA PRO A 70 6.152 -5.950 -3.375 1.00 0.00 C ATOM 995 C PRO A 70 7.172 -7.004 -3.858 1.00 0.00 C ATOM 996 O PRO A 70 8.191 -7.123 -3.195 1.00 0.00 O ATOM 997 CB PRO A 70 4.914 -6.550 -2.623 1.00 0.00 C ATOM 998 CG PRO A 70 3.753 -6.473 -3.639 1.00 0.00 C ATOM 999 CD PRO A 70 4.037 -5.165 -4.377 1.00 0.00 C ATOM 0 HA PRO A 70 6.808 -5.366 -2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.100 -7.579 -2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.687 -5.982 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.750 -7.327 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.782 -6.456 -3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.613 -5.173 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.605 -4.311 -3.856 1.00 0.00 H new ATOM 1007 N PRO A 71 6.925 -7.724 -4.941 1.00 0.00 N ATOM 1008 CA PRO A 71 7.881 -8.754 -5.426 1.00 0.00 C ATOM 1009 C PRO A 71 9.248 -8.171 -5.788 1.00 0.00 C ATOM 1010 O PRO A 71 10.252 -8.598 -5.254 1.00 0.00 O ATOM 1011 CB PRO A 71 7.171 -9.411 -6.627 1.00 0.00 C ATOM 1012 CG PRO A 71 6.244 -8.281 -7.141 1.00 0.00 C ATOM 1013 CD PRO A 71 5.735 -7.664 -5.835 1.00 0.00 C ATOM 0 HA PRO A 71 8.117 -9.483 -4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.880 -9.730 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.605 -10.294 -6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.784 -7.557 -7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.430 -8.669 -7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.393 -6.639 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.895 -8.225 -5.425 1.00 0.00 H new ATOM 1021 N LYS A 72 9.258 -7.209 -6.676 1.00 0.00 N ATOM 1022 CA LYS A 72 10.563 -6.604 -7.080 1.00 0.00 C ATOM 1023 C LYS A 72 11.298 -5.989 -5.896 1.00 0.00 C ATOM 1024 O LYS A 72 12.512 -6.013 -5.829 1.00 0.00 O ATOM 1025 CB LYS A 72 10.335 -5.530 -8.123 1.00 0.00 C ATOM 1026 CG LYS A 72 9.438 -4.401 -7.628 1.00 0.00 C ATOM 1027 CD LYS A 72 9.364 -3.369 -8.770 1.00 0.00 C ATOM 1028 CE LYS A 72 8.797 -2.058 -8.264 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.631 -1.601 -7.110 1.00 0.00 N ATOM 0 H LYS A 72 8.432 -6.821 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 72 11.177 -7.407 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.297 -5.116 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.888 -5.981 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.445 -4.775 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.845 -3.950 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.358 -3.206 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.741 -3.754 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.803 -1.310 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.760 -2.187 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.723 -0.565 -7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.176 -1.885 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.574 -2.034 -7.170 1.00 0.00 H new ATOM 1043 N CYS A 73 10.531 -5.441 -4.999 1.00 0.00 N ATOM 1044 CA CYS A 73 11.127 -4.805 -3.798 1.00 0.00 C ATOM 1045 C CYS A 73 11.757 -5.840 -2.843 1.00 0.00 C ATOM 1046 O CYS A 73 12.919 -5.730 -2.503 1.00 0.00 O ATOM 1047 CB CYS A 73 9.992 -4.050 -3.189 1.00 0.00 C ATOM 1048 SG CYS A 73 10.426 -2.796 -1.975 1.00 0.00 S ATOM 0 H CYS A 73 9.513 -5.407 -5.047 1.00 0.00 H new ATOM 0 HA CYS A 73 11.962 -4.147 -4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.432 -3.570 -3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.320 -4.766 -2.715 1.00 0.00 H new ATOM 1053 N GLY A 74 10.976 -6.802 -2.418 1.00 0.00 N ATOM 1054 CA GLY A 74 11.511 -7.853 -1.490 1.00 0.00 C ATOM 1055 C GLY A 74 10.968 -7.713 -0.072 1.00 0.00 C ATOM 1056 O GLY A 74 11.541 -8.258 0.853 1.00 0.00 O ATOM 0 H GLY A 74 9.994 -6.907 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.255 -8.839 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.599 -7.792 -1.466 1.00 0.00 H new ATOM 1060 N VAL A 75 9.882 -6.996 0.073 1.00 0.00 N ATOM 1061 CA VAL A 75 9.283 -6.805 1.422 1.00 0.00 C ATOM 1062 C VAL A 75 7.934 -7.511 1.537 1.00 0.00 C ATOM 1063 O VAL A 75 7.531 -7.854 2.626 1.00 0.00 O ATOM 1064 CB VAL A 75 9.171 -5.273 1.641 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.497 -4.606 1.353 1.00 0.00 C ATOM 1066 CG2 VAL A 75 8.093 -4.642 0.795 1.00 0.00 C ATOM 0 H VAL A 75 9.386 -6.535 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 75 9.905 -7.251 2.198 1.00 0.00 H new ATOM 0 HB VAL A 75 8.896 -5.123 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.405 -3.531 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.259 -5.007 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.784 -4.798 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.059 -3.570 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.311 -4.814 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.129 -5.086 1.043 1.00 0.00 H new ATOM 1076 N ASN A 76 7.275 -7.709 0.426 1.00 0.00 N ATOM 1077 CA ASN A 76 5.944 -8.398 0.432 1.00 0.00 C ATOM 1078 C ASN A 76 4.911 -7.733 1.371 1.00 0.00 C ATOM 1079 O ASN A 76 4.846 -8.054 2.538 1.00 0.00 O ATOM 1080 CB ASN A 76 6.168 -9.843 0.861 1.00 0.00 C ATOM 1081 CG ASN A 76 4.927 -10.617 0.439 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.798 -11.045 -0.690 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.988 -10.802 1.317 1.00 0.00 N ATOM 0 H ASN A 76 7.603 -7.421 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 76 5.527 -8.332 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.060 -10.254 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.318 -9.909 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.141 -11.307 1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.098 -10.442 2.265 1.00 0.00 H new ATOM 1090 N LEU A 77 4.102 -6.845 0.854 1.00 0.00 N ATOM 1091 CA LEU A 77 3.089 -6.169 1.740 1.00 0.00 C ATOM 1092 C LEU A 77 1.830 -7.030 1.853 1.00 0.00 C ATOM 1093 O LEU A 77 1.551 -7.793 0.950 1.00 0.00 O ATOM 1094 CB LEU A 77 2.665 -4.773 1.154 1.00 0.00 C ATOM 1095 CG LEU A 77 3.137 -3.603 2.062 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.640 -3.544 2.157 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.597 -2.276 1.582 1.00 0.00 C ATOM 0 H LEU A 77 4.092 -6.558 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 77 3.552 -6.032 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.088 -4.653 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.581 -4.737 1.047 1.00 0.00 H new ATOM 0 HG LEU A 77 2.738 -3.798 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.932 -2.714 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.015 -4.477 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.062 -3.398 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.947 -1.481 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.946 -2.087 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.507 -2.302 1.592 1.00 0.00 H new ATOM 1109 N PRO A 78 1.097 -6.890 2.938 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.172 -7.626 3.115 1.00 0.00 C ATOM 1111 C PRO A 78 -1.278 -6.987 2.257 1.00 0.00 C ATOM 1112 O PRO A 78 -2.337 -7.563 2.098 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.445 -7.554 4.618 1.00 0.00 C ATOM 1114 CG PRO A 78 0.106 -6.158 4.980 1.00 0.00 C ATOM 1115 CD PRO A 78 1.387 -6.031 4.122 1.00 0.00 C ATOM 0 HA PRO A 78 -0.130 -8.664 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.507 -7.644 4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.065 -8.348 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.612 -5.372 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.328 -6.080 6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.575 -4.997 3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.268 -6.376 4.662 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.025 -5.826 1.699 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.065 -5.150 0.853 1.00 0.00 C ATOM 1125 C TYR A 79 -1.407 -4.109 -0.058 1.00 0.00 C ATOM 1126 O TYR A 79 -0.276 -3.727 0.172 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.110 -4.460 1.785 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.391 -3.597 2.830 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.587 -2.542 2.450 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.522 -3.884 4.174 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.927 -1.795 3.375 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.853 -3.124 5.106 1.00 0.00 C ATOM 1133 CZ TYR A 79 -1.054 -2.082 4.695 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.336 -1.298 5.562 1.00 0.00 O ATOM 0 H TYR A 79 -0.146 -5.317 1.792 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.565 -5.891 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.785 -3.842 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.721 -5.214 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.480 -2.306 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.149 -4.704 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.302 -0.973 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.955 -3.345 6.158 1.00 0.00 H new ATOM 0 HH TYR A 79 0.345 -0.799 5.064 1.00 0.00 H new ATOM 1144 N THR A 80 -2.099 -3.687 -1.078 1.00 0.00 N ATOM 1145 CA THR A 80 -1.541 -2.666 -2.022 1.00 0.00 C ATOM 1146 C THR A 80 -2.683 -1.707 -2.408 1.00 0.00 C ATOM 1147 O THR A 80 -3.707 -1.657 -1.755 1.00 0.00 O ATOM 1148 CB THR A 80 -0.943 -3.435 -3.277 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.421 -2.462 -4.182 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.975 -4.169 -4.100 1.00 0.00 C ATOM 0 H THR A 80 -3.040 -4.007 -1.305 1.00 0.00 H new ATOM 0 HA THR A 80 -0.740 -2.076 -1.576 1.00 0.00 H new ATOM 0 HB THR A 80 -0.220 -4.143 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.288 -2.867 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.486 -4.667 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.475 -4.911 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.710 -3.459 -4.480 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.486 -0.981 -3.468 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.524 -0.017 -3.937 1.00 0.00 C ATOM 1160 C ILE A 81 -4.511 -0.833 -4.809 1.00 0.00 C ATOM 1161 O ILE A 81 -4.479 -0.745 -6.024 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.819 1.106 -4.764 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.640 1.767 -3.966 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.825 2.147 -5.196 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -2.141 2.535 -2.709 1.00 0.00 C ATOM 0 H ILE A 81 -1.641 -1.012 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.061 0.461 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.387 0.644 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.932 0.996 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.101 2.454 -4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.321 2.924 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.591 1.678 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.290 2.591 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.290 2.975 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.828 3.324 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.656 1.844 -2.042 1.00 0.00 H new ATOM 1177 N SER A 82 -5.340 -1.620 -4.158 1.00 0.00 N ATOM 1178 CA SER A 82 -6.343 -2.448 -4.913 1.00 0.00 C ATOM 1179 C SER A 82 -7.613 -2.585 -4.070 1.00 0.00 C ATOM 1180 O SER A 82 -7.661 -2.105 -2.952 1.00 0.00 O ATOM 1181 CB SER A 82 -5.816 -3.875 -5.202 1.00 0.00 C ATOM 1182 OG SER A 82 -6.611 -4.242 -6.323 1.00 0.00 O ATOM 0 H SER A 82 -5.367 -1.725 -3.144 1.00 0.00 H new ATOM 0 HA SER A 82 -6.537 -1.944 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.751 -3.881 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.962 -4.547 -4.356 1.00 0.00 H new ATOM 0 HG SER A 82 -7.185 -4.999 -6.083 1.00 0.00 H new ATOM 1188 N LEU A 83 -8.599 -3.240 -4.622 1.00 0.00 N ATOM 1189 CA LEU A 83 -9.897 -3.440 -3.889 1.00 0.00 C ATOM 1190 C LEU A 83 -10.105 -4.939 -3.616 1.00 0.00 C ATOM 1191 O LEU A 83 -11.181 -5.480 -3.784 1.00 0.00 O ATOM 1192 CB LEU A 83 -11.033 -2.860 -4.764 1.00 0.00 C ATOM 1193 CG LEU A 83 -11.284 -1.359 -4.444 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -10.069 -0.496 -4.674 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -12.412 -0.836 -5.301 1.00 0.00 C ATOM 0 H LEU A 83 -8.567 -3.650 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.890 -2.927 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.776 -2.971 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.949 -3.427 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.536 -1.306 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.308 0.540 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.254 -0.838 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.766 -0.565 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.584 0.216 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.148 -0.941 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.319 -1.405 -5.096 1.00 0.00 H new ATOM 1207 N ASN A 84 -9.048 -5.568 -3.185 1.00 0.00 N ATOM 1208 CA ASN A 84 -9.081 -7.028 -2.879 1.00 0.00 C ATOM 1209 C ASN A 84 -8.948 -7.302 -1.383 1.00 0.00 C ATOM 1210 O ASN A 84 -9.435 -8.310 -0.910 1.00 0.00 O ATOM 1211 CB ASN A 84 -7.922 -7.691 -3.604 1.00 0.00 C ATOM 1212 CG ASN A 84 -8.062 -7.587 -5.114 1.00 0.00 C ATOM 1213 OD1 ASN A 84 -7.833 -6.543 -5.684 1.00 0.00 O ATOM 1214 ND2 ASN A 84 -8.428 -8.614 -5.813 1.00 0.00 N ATOM 0 H ASN A 84 -8.143 -5.123 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.041 -7.427 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.986 -7.226 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.867 -8.741 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.519 -8.535 -6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.625 -9.502 -5.351 1.00 0.00 H new ATOM 1221 N ILE A 85 -8.280 -6.413 -0.682 1.00 0.00 N ATOM 1222 CA ILE A 85 -8.111 -6.638 0.785 1.00 0.00 C ATOM 1223 C ILE A 85 -9.294 -6.002 1.522 1.00 0.00 C ATOM 1224 O ILE A 85 -9.995 -5.182 0.957 1.00 0.00 O ATOM 1225 CB ILE A 85 -6.729 -6.021 1.263 1.00 0.00 C ATOM 1226 CG1 ILE A 85 -5.545 -6.469 0.319 1.00 0.00 C ATOM 1227 CG2 ILE A 85 -6.413 -6.565 2.640 1.00 0.00 C ATOM 1228 CD1 ILE A 85 -5.344 -5.536 -0.923 1.00 0.00 C ATOM 0 H ILE A 85 -7.856 -5.563 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.095 -7.705 1.008 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.821 -4.935 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.621 -6.495 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.733 -7.485 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.465 -6.152 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.206 -6.284 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.340 -7.652 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.514 -5.906 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.253 -5.529 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.125 -4.523 -0.585 1.00 0.00 H new ATOM 1240 N ASP A 86 -9.469 -6.400 2.756 1.00 0.00 N ATOM 1241 CA ASP A 86 -10.585 -5.872 3.582 1.00 0.00 C ATOM 1242 C ASP A 86 -10.145 -4.855 4.620 1.00 0.00 C ATOM 1243 O ASP A 86 -10.958 -4.049 5.035 1.00 0.00 O ATOM 1244 CB ASP A 86 -11.255 -7.060 4.268 1.00 0.00 C ATOM 1245 CG ASP A 86 -11.552 -8.188 3.261 1.00 0.00 C ATOM 1246 OD1 ASP A 86 -10.597 -8.903 2.985 1.00 0.00 O ATOM 1247 OD2 ASP A 86 -12.696 -8.254 2.835 1.00 0.00 O ATOM 0 H ASP A 86 -8.874 -7.080 3.229 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.273 -5.342 2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.609 -7.437 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.183 -6.736 4.739 1.00 0.00 H new ATOM 1252 N CYS A 87 -8.901 -4.911 5.025 1.00 0.00 N ATOM 1253 CA CYS A 87 -8.383 -3.947 6.050 1.00 0.00 C ATOM 1254 C CYS A 87 -9.219 -3.959 7.339 1.00 0.00 C ATOM 1255 O CYS A 87 -9.129 -3.054 8.148 1.00 0.00 O ATOM 1256 CB CYS A 87 -8.396 -2.548 5.428 1.00 0.00 C ATOM 1257 SG CYS A 87 -7.454 -2.389 3.895 1.00 0.00 S ATOM 0 H CYS A 87 -8.216 -5.587 4.688 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.373 -4.243 6.332 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.430 -2.262 5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.001 -1.839 6.156 1.00 0.00 H new ATOM 1262 N SER A 88 -10.009 -4.981 7.525 1.00 0.00 N ATOM 1263 CA SER A 88 -10.857 -5.073 8.747 1.00 0.00 C ATOM 1264 C SER A 88 -10.233 -5.995 9.798 1.00 0.00 C ATOM 1265 O SER A 88 -10.387 -5.774 10.985 1.00 0.00 O ATOM 1266 CB SER A 88 -12.243 -5.577 8.283 1.00 0.00 C ATOM 1267 OG SER A 88 -11.970 -6.664 7.395 1.00 0.00 O ATOM 0 H SER A 88 -10.104 -5.763 6.877 1.00 0.00 H new ATOM 0 HA SER A 88 -10.947 -4.102 9.233 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.847 -5.903 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.800 -4.787 7.779 1.00 0.00 H new ATOM 0 HG SER A 88 -12.814 -7.034 7.062 1.00 0.00 H new ATOM 1273 N ARG A 89 -9.538 -6.990 9.323 1.00 0.00 N ATOM 1274 CA ARG A 89 -8.872 -7.984 10.214 1.00 0.00 C ATOM 1275 C ARG A 89 -7.354 -7.776 10.268 1.00 0.00 C ATOM 1276 O ARG A 89 -6.782 -7.837 11.341 1.00 0.00 O ATOM 1277 CB ARG A 89 -9.255 -9.363 9.638 1.00 0.00 C ATOM 1278 CG ARG A 89 -8.712 -10.541 10.472 1.00 0.00 C ATOM 1279 CD ARG A 89 -8.988 -11.863 9.706 1.00 0.00 C ATOM 1280 NE ARG A 89 -10.438 -11.917 9.311 1.00 0.00 N ATOM 1281 CZ ARG A 89 -11.203 -12.865 9.764 1.00 0.00 C ATOM 1282 NH1 ARG A 89 -11.302 -13.969 9.084 1.00 0.00 N ATOM 1283 NH2 ARG A 89 -11.818 -12.647 10.885 1.00 0.00 N ATOM 0 H ARG A 89 -9.400 -7.161 8.327 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.199 -7.882 11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.341 -9.437 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.876 -9.442 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.642 -10.420 10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.192 -10.564 11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.356 -11.922 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.738 -12.719 10.333 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.822 -11.208 8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.784 -14.079 8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.897 -14.725 9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.691 -11.760 11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.429 -13.362 11.279 1.00 0.00 H new ATOM 1297 N VAL A 90 -6.756 -7.557 9.122 1.00 0.00 N ATOM 1298 CA VAL A 90 -5.277 -7.350 9.099 1.00 0.00 C ATOM 1299 C VAL A 90 -4.923 -6.067 9.853 1.00 0.00 C ATOM 1300 O VAL A 90 -5.755 -5.183 9.766 1.00 0.00 O ATOM 1301 CB VAL A 90 -4.770 -7.261 7.615 1.00 0.00 C ATOM 1302 CG1 VAL A 90 -4.976 -8.583 6.914 1.00 0.00 C ATOM 1303 CG2 VAL A 90 -5.485 -6.180 6.838 1.00 0.00 C ATOM 1304 OXT VAL A 90 -3.865 -6.050 10.455 1.00 0.00 O ATOM 0 H VAL A 90 -7.221 -7.513 8.215 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.790 -8.195 9.586 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.709 -7.015 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.621 -8.509 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.419 -9.362 7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.037 -8.833 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.104 -6.153 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.554 -6.391 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.313 -5.215 7.315 1.00 0.00 H new TER 1314 VAL A 90