USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.55 K(o=2.4,f=-3.9!) USER MOD Set 1.2: A 49 THR OG1 : rot -168:sc= 0.86 USER MOD Single : A 1 LEU N :NH3+ -114:sc= -0.0265 (180deg=-1.27) USER MOD Single : A 2 THR OG1 : rot -141:sc= 1.71 USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000615) USER MOD Single : A 5 GLN : amide:sc= 0.682 K(o=0.68,f=-5.8!) USER MOD Single : A 9 SER OG : rot 68:sc= 1.19 USER MOD Single : A 10 HIS : no HE2:sc= 0.319 K(o=0.32,f=-2.9!) USER MOD Single : A 15 HIS : no HE2:sc= 0.988 K(o=0.99,f=-3.8!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0772 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 1.07 (180deg=1.03) USER MOD Single : A 26 ASN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.992 K(o=0.99,f=-2.5!) USER MOD Single : A 29 TYR OH : rot -148:sc= 1.29 USER MOD Single : A 33 GLN : amide:sc= 2.58 K(o=2.6,f=-6!) USER MOD Single : A 35 TYR OH : rot -13:sc= 1.24 USER MOD Single : A 37 SER OG : rot -32:sc= 1.92 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -90:sc= 1.81 USER MOD Single : A 56 SER OG : rot 74:sc= 1.23 USER MOD Single : A 59 HIS : no HD1:sc= -0.235 X(o=-0.24,f=-0.3) USER MOD Single : A 60 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-4.4!) USER MOD Single : A 61 ASN : amide:sc=-0.00717 K(o=-0.0072,f=-1.7) USER MOD Single : A 63 SER OG : rot 50:sc= 0.868 USER MOD Single : A 65 SER OG : rot -160:sc= 0.00826 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.369 9.522 1.644 1.00 0.00 N ATOM 2 CA LEU A 1 14.144 8.833 1.252 1.00 0.00 C ATOM 3 C LEU A 1 13.111 8.892 2.389 1.00 0.00 C ATOM 4 O LEU A 1 13.472 9.041 3.558 1.00 0.00 O ATOM 5 CB LEU A 1 14.474 7.366 0.898 1.00 0.00 C ATOM 6 CG LEU A 1 14.896 7.124 -0.564 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.195 7.831 -0.957 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.089 5.619 -0.787 1.00 0.00 C ATOM 0 H1 LEU A 1 15.498 10.365 1.049 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.302 9.809 2.641 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.181 8.884 1.521 1.00 0.00 H new ATOM 0 HA LEU A 1 13.717 9.325 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.275 7.022 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.600 6.751 1.114 1.00 0.00 H new ATOM 0 HG LEU A 1 14.100 7.535 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.427 7.613 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.077 8.907 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.008 7.477 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.388 5.440 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.863 5.248 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.153 5.098 -0.584 1.00 0.00 H new ATOM 20 N THR A 2 11.829 8.712 2.057 1.00 0.00 N ATOM 21 CA THR A 2 10.747 8.563 3.032 1.00 0.00 C ATOM 22 C THR A 2 10.648 7.120 3.538 1.00 0.00 C ATOM 23 O THR A 2 11.164 6.197 2.904 1.00 0.00 O ATOM 24 CB THR A 2 9.383 8.940 2.427 1.00 0.00 C ATOM 25 OG1 THR A 2 9.016 7.990 1.450 1.00 0.00 O ATOM 26 CG2 THR A 2 9.357 10.349 1.832 1.00 0.00 C ATOM 0 H THR A 2 11.510 8.665 1.089 1.00 0.00 H new ATOM 0 HA THR A 2 10.986 9.235 3.856 1.00 0.00 H new ATOM 0 HB THR A 2 8.660 8.936 3.243 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.589 8.446 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.368 10.553 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.584 11.077 2.611 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.101 10.423 1.038 1.00 0.00 H new ATOM 34 N LYS A 3 9.890 6.891 4.623 1.00 0.00 N ATOM 35 CA LYS A 3 9.569 5.539 5.105 1.00 0.00 C ATOM 36 C LYS A 3 8.957 4.668 4.001 1.00 0.00 C ATOM 37 O LYS A 3 9.351 3.514 3.852 1.00 0.00 O ATOM 38 CB LYS A 3 8.659 5.622 6.342 1.00 0.00 C ATOM 39 CG LYS A 3 8.495 4.245 7.005 1.00 0.00 C ATOM 40 CD LYS A 3 7.521 4.301 8.189 1.00 0.00 C ATOM 41 CE LYS A 3 7.165 2.899 8.695 1.00 0.00 C ATOM 42 NZ LYS A 3 8.338 2.185 9.233 1.00 0.00 N ATOM 0 H LYS A 3 9.484 7.636 5.189 1.00 0.00 H new ATOM 0 HA LYS A 3 10.499 5.051 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.080 6.326 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.682 6.008 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.133 3.527 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.466 3.888 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.966 4.879 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.612 4.821 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.403 2.977 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.732 2.320 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.046 1.249 9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.049 2.071 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.747 2.731 10.018 1.00 0.00 H new ATOM 56 N CYS A 4 8.060 5.235 3.184 1.00 0.00 N ATOM 57 CA CYS A 4 7.523 4.572 1.999 1.00 0.00 C ATOM 58 C CYS A 4 8.653 4.173 1.040 1.00 0.00 C ATOM 59 O CYS A 4 8.838 2.988 0.784 1.00 0.00 O ATOM 60 CB CYS A 4 6.471 5.460 1.320 1.00 0.00 C ATOM 61 SG CYS A 4 5.554 4.623 0.001 1.00 0.00 S ATOM 0 H CYS A 4 7.687 6.173 3.332 1.00 0.00 H new ATOM 0 HA CYS A 4 7.024 3.652 2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.766 5.813 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.963 6.340 0.906 1.00 0.00 H new ATOM 66 N GLN A 5 9.432 5.142 0.545 1.00 0.00 N ATOM 67 CA GLN A 5 10.508 4.897 -0.424 1.00 0.00 C ATOM 68 C GLN A 5 11.555 3.901 0.096 1.00 0.00 C ATOM 69 O GLN A 5 12.016 3.051 -0.669 1.00 0.00 O ATOM 70 CB GLN A 5 11.181 6.227 -0.774 1.00 0.00 C ATOM 71 CG GLN A 5 10.288 7.172 -1.588 1.00 0.00 C ATOM 72 CD GLN A 5 10.928 8.551 -1.720 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.459 9.105 -0.769 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.890 9.162 -2.888 1.00 0.00 N ATOM 0 H GLN A 5 9.334 6.123 0.806 1.00 0.00 H new ATOM 0 HA GLN A 5 10.060 4.451 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.480 6.727 0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.092 6.026 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.115 6.751 -2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.315 7.264 -1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.449 8.707 -3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.302 10.089 -2.992 1.00 0.00 H new ATOM 83 N GLU A 6 11.908 3.973 1.384 1.00 0.00 N ATOM 84 CA GLU A 6 12.761 3.003 2.074 1.00 0.00 C ATOM 85 C GLU A 6 12.138 1.610 2.043 1.00 0.00 C ATOM 86 O GLU A 6 12.759 0.686 1.535 1.00 0.00 O ATOM 87 CB GLU A 6 12.973 3.432 3.530 1.00 0.00 C ATOM 88 CG GLU A 6 13.916 4.636 3.665 1.00 0.00 C ATOM 89 CD GLU A 6 14.014 5.115 5.114 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.971 5.558 5.647 1.00 0.00 O ATOM 91 OE2 GLU A 6 15.127 5.022 5.676 1.00 0.00 O ATOM 0 H GLU A 6 11.598 4.731 1.992 1.00 0.00 H new ATOM 0 HA GLU A 6 13.720 2.970 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.009 3.680 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.379 2.593 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.908 4.364 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.559 5.451 3.035 1.00 0.00 H new ATOM 98 N GLU A 7 10.908 1.451 2.546 1.00 0.00 N ATOM 99 CA GLU A 7 10.213 0.160 2.557 1.00 0.00 C ATOM 100 C GLU A 7 10.097 -0.430 1.146 1.00 0.00 C ATOM 101 O GLU A 7 10.391 -1.608 0.960 1.00 0.00 O ATOM 102 CB GLU A 7 8.825 0.302 3.195 1.00 0.00 C ATOM 103 CG GLU A 7 8.893 0.461 4.722 1.00 0.00 C ATOM 104 CD GLU A 7 7.527 0.764 5.351 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.739 1.527 4.742 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.288 0.237 6.459 1.00 0.00 O ATOM 0 H GLU A 7 10.368 2.213 2.956 1.00 0.00 H new ATOM 0 HA GLU A 7 10.807 -0.530 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.318 1.166 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.225 -0.574 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.295 -0.453 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.587 1.264 4.968 1.00 0.00 H new ATOM 113 N VAL A 8 9.745 0.384 0.143 1.00 0.00 N ATOM 114 CA VAL A 8 9.697 -0.037 -1.269 1.00 0.00 C ATOM 115 C VAL A 8 11.076 -0.491 -1.773 1.00 0.00 C ATOM 116 O VAL A 8 11.174 -1.433 -2.562 1.00 0.00 O ATOM 117 CB VAL A 8 9.117 1.081 -2.164 1.00 0.00 C ATOM 118 CG1 VAL A 8 9.086 0.710 -3.653 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.656 1.355 -1.802 1.00 0.00 C ATOM 0 H VAL A 8 9.483 1.359 0.286 1.00 0.00 H new ATOM 0 HA VAL A 8 9.029 -0.896 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 8 9.770 1.937 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.668 1.538 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.099 0.505 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.469 -0.177 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.264 2.145 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.069 0.448 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.592 1.668 -0.760 1.00 0.00 H new ATOM 129 N SER A 9 12.140 0.156 -1.287 1.00 0.00 N ATOM 130 CA SER A 9 13.547 -0.156 -1.574 1.00 0.00 C ATOM 131 C SER A 9 14.140 -1.272 -0.697 1.00 0.00 C ATOM 132 O SER A 9 15.340 -1.541 -0.793 1.00 0.00 O ATOM 133 CB SER A 9 14.415 1.103 -1.411 1.00 0.00 C ATOM 134 OG SER A 9 13.889 2.198 -2.133 1.00 0.00 O ATOM 0 H SER A 9 12.041 0.949 -0.653 1.00 0.00 H new ATOM 0 HA SER A 9 13.556 -0.517 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.484 1.363 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.428 0.894 -1.755 1.00 0.00 H new ATOM 0 HG SER A 9 13.044 2.483 -1.726 1.00 0.00 H new ATOM 140 N HIS A 10 13.355 -1.900 0.187 1.00 0.00 N ATOM 141 CA HIS A 10 13.823 -2.936 1.121 1.00 0.00 C ATOM 142 C HIS A 10 12.965 -4.207 1.062 1.00 0.00 C ATOM 143 O HIS A 10 13.492 -5.309 1.196 1.00 0.00 O ATOM 144 CB HIS A 10 13.870 -2.368 2.551 1.00 0.00 C ATOM 145 CG HIS A 10 14.808 -1.197 2.752 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.795 -0.767 1.890 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.773 -0.321 3.803 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.336 0.345 2.414 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.750 0.654 3.581 1.00 0.00 N ATOM 0 H HIS A 10 12.359 -1.700 0.276 1.00 0.00 H new ATOM 0 HA HIS A 10 14.829 -3.227 0.817 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.864 -2.059 2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.162 -3.167 3.232 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.065 -1.213 1.013 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.109 -0.374 4.653 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.134 0.913 1.958 1.00 0.00 H new ATOM 157 N ILE A 11 11.659 -4.063 0.822 1.00 0.00 N ATOM 158 CA ILE A 11 10.728 -5.147 0.517 1.00 0.00 C ATOM 159 C ILE A 11 10.749 -5.323 -1.010 1.00 0.00 C ATOM 160 O ILE A 11 10.334 -4.399 -1.711 1.00 0.00 O ATOM 161 CB ILE A 11 9.302 -4.807 1.018 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.279 -4.548 2.544 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.346 -5.959 0.653 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.967 -3.926 3.043 1.00 0.00 C ATOM 0 H ILE A 11 11.205 -3.150 0.836 1.00 0.00 H new ATOM 0 HA ILE A 11 11.022 -6.069 1.019 1.00 0.00 H new ATOM 0 HB ILE A 11 8.975 -3.889 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.446 -5.490 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.106 -3.888 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.341 -5.723 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.331 -6.090 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.689 -6.880 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.024 -3.773 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.807 -2.968 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.137 -4.595 2.815 1.00 0.00 H new ATOM 176 N PRO A 12 11.237 -6.451 -1.559 1.00 0.00 N ATOM 177 CA PRO A 12 11.217 -6.688 -3.000 1.00 0.00 C ATOM 178 C PRO A 12 9.802 -7.027 -3.493 1.00 0.00 C ATOM 179 O PRO A 12 8.945 -7.454 -2.721 1.00 0.00 O ATOM 180 CB PRO A 12 12.178 -7.865 -3.208 1.00 0.00 C ATOM 181 CG PRO A 12 12.009 -8.676 -1.923 1.00 0.00 C ATOM 182 CD PRO A 12 11.801 -7.598 -0.859 1.00 0.00 C ATOM 0 HA PRO A 12 11.517 -5.806 -3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.917 -8.448 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.206 -7.528 -3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.157 -9.353 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.887 -9.286 -1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.128 -7.947 -0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.743 -7.337 -0.377 1.00 0.00 H new ATOM 190 N ALA A 13 9.582 -6.938 -4.812 1.00 0.00 N ATOM 191 CA ALA A 13 8.327 -7.345 -5.454 1.00 0.00 C ATOM 192 C ALA A 13 7.962 -8.824 -5.199 1.00 0.00 C ATOM 193 O ALA A 13 6.790 -9.193 -5.239 1.00 0.00 O ATOM 194 CB ALA A 13 8.431 -7.047 -6.953 1.00 0.00 C ATOM 0 H ALA A 13 10.276 -6.579 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 13 7.514 -6.771 -5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.506 -7.343 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.596 -5.980 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.265 -7.606 -7.378 1.00 0.00 H new ATOM 200 N VAL A 14 8.949 -9.667 -4.873 1.00 0.00 N ATOM 201 CA VAL A 14 8.756 -11.037 -4.391 1.00 0.00 C ATOM 202 C VAL A 14 8.400 -10.987 -2.897 1.00 0.00 C ATOM 203 O VAL A 14 9.204 -11.333 -2.036 1.00 0.00 O ATOM 204 CB VAL A 14 9.986 -11.926 -4.693 1.00 0.00 C ATOM 205 CG1 VAL A 14 9.697 -13.403 -4.378 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.388 -11.854 -6.176 1.00 0.00 C ATOM 0 H VAL A 14 9.933 -9.405 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 14 7.929 -11.505 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 14 10.791 -11.547 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.580 -14.002 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.444 -13.507 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.862 -13.748 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.255 -12.491 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.558 -12.195 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.636 -10.825 -6.436 1.00 0.00 H new ATOM 216 N HIS A 15 7.165 -10.564 -2.605 1.00 0.00 N ATOM 217 CA HIS A 15 6.593 -10.513 -1.251 1.00 0.00 C ATOM 218 C HIS A 15 5.447 -11.521 -0.935 1.00 0.00 C ATOM 219 O HIS A 15 4.553 -11.157 -0.164 1.00 0.00 O ATOM 220 CB HIS A 15 6.240 -9.049 -0.921 1.00 0.00 C ATOM 221 CG HIS A 15 5.090 -8.471 -1.709 1.00 0.00 C ATOM 222 ND1 HIS A 15 3.769 -8.459 -1.321 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.180 -7.777 -2.884 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.083 -7.764 -2.244 1.00 0.00 C ATOM 225 NE2 HIS A 15 3.896 -7.340 -3.221 1.00 0.00 N ATOM 0 H HIS A 15 6.517 -10.238 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 15 7.367 -10.874 -0.573 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.003 -8.980 0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.122 -8.432 -1.091 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.382 -8.898 -0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.082 -7.599 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.021 -7.573 -2.204 1.00 0.00 H new ATOM 233 N PRO A 16 5.422 -12.781 -1.449 1.00 0.00 N ATOM 234 CA PRO A 16 4.475 -13.807 -0.988 1.00 0.00 C ATOM 235 C PRO A 16 4.350 -13.884 0.541 1.00 0.00 C ATOM 236 O PRO A 16 5.344 -13.866 1.265 1.00 0.00 O ATOM 237 CB PRO A 16 4.975 -15.141 -1.548 1.00 0.00 C ATOM 238 CG PRO A 16 5.697 -14.726 -2.822 1.00 0.00 C ATOM 239 CD PRO A 16 6.305 -13.379 -2.445 1.00 0.00 C ATOM 0 HA PRO A 16 3.476 -13.555 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.644 -15.646 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.153 -15.826 -1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.461 -15.449 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.011 -14.638 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.310 -13.508 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.392 -12.736 -3.321 1.00 0.00 H new ATOM 247 N GLY A 17 3.109 -13.943 1.029 1.00 0.00 N ATOM 248 CA GLY A 17 2.757 -13.909 2.447 1.00 0.00 C ATOM 249 C GLY A 17 2.757 -12.508 3.072 1.00 0.00 C ATOM 250 O GLY A 17 2.243 -12.359 4.181 1.00 0.00 O ATOM 0 H GLY A 17 2.292 -14.019 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.768 -14.349 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.457 -14.538 2.997 1.00 0.00 H new ATOM 254 N SER A 18 3.271 -11.474 2.388 1.00 0.00 N ATOM 255 CA SER A 18 3.504 -10.143 2.959 1.00 0.00 C ATOM 256 C SER A 18 2.932 -8.992 2.110 1.00 0.00 C ATOM 257 O SER A 18 2.436 -9.177 0.995 1.00 0.00 O ATOM 258 CB SER A 18 5.008 -9.969 3.203 1.00 0.00 C ATOM 259 OG SER A 18 5.235 -8.864 4.058 1.00 0.00 O ATOM 0 H SER A 18 3.540 -11.543 1.407 1.00 0.00 H new ATOM 0 HA SER A 18 2.960 -10.087 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.420 -10.875 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.524 -9.818 2.255 1.00 0.00 H new ATOM 0 HG SER A 18 6.198 -8.761 4.210 1.00 0.00 H new ATOM 265 N PHE A 19 3.007 -7.786 2.675 1.00 0.00 N ATOM 266 CA PHE A 19 2.662 -6.499 2.075 1.00 0.00 C ATOM 267 C PHE A 19 3.907 -5.835 1.466 1.00 0.00 C ATOM 268 O PHE A 19 5.019 -6.029 1.955 1.00 0.00 O ATOM 269 CB PHE A 19 2.068 -5.613 3.188 1.00 0.00 C ATOM 270 CG PHE A 19 1.920 -4.134 2.862 1.00 0.00 C ATOM 271 CD1 PHE A 19 1.074 -3.722 1.818 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.643 -3.165 3.587 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.948 -2.361 1.496 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.504 -1.799 3.278 1.00 0.00 C ATOM 275 CZ PHE A 19 1.653 -1.396 2.234 1.00 0.00 C ATOM 0 H PHE A 19 3.335 -7.677 3.635 1.00 0.00 H new ATOM 0 HA PHE A 19 1.940 -6.637 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.086 -6.006 3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.697 -5.707 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.516 -4.458 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.306 -3.472 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.309 -2.056 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.052 -1.060 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.542 -0.348 2.000 1.00 0.00 H new ATOM 285 N ARG A 20 3.698 -4.995 0.444 1.00 0.00 N ATOM 286 CA ARG A 20 4.695 -4.093 -0.132 1.00 0.00 C ATOM 287 C ARG A 20 4.017 -2.753 -0.451 1.00 0.00 C ATOM 288 O ARG A 20 3.008 -2.765 -1.162 1.00 0.00 O ATOM 289 CB ARG A 20 5.311 -4.726 -1.388 1.00 0.00 C ATOM 290 CG ARG A 20 6.454 -3.865 -1.939 1.00 0.00 C ATOM 291 CD ARG A 20 7.090 -4.503 -3.174 1.00 0.00 C ATOM 292 NE ARG A 20 8.349 -3.820 -3.508 1.00 0.00 N ATOM 293 CZ ARG A 20 8.704 -3.229 -4.636 1.00 0.00 C ATOM 294 NH1 ARG A 20 7.933 -3.247 -5.697 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.851 -2.594 -4.700 1.00 0.00 N ATOM 0 H ARG A 20 2.793 -4.925 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 20 5.505 -3.918 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.684 -5.722 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.543 -4.847 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.075 -2.875 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.212 -3.728 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.280 -5.560 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.402 -4.445 -4.017 1.00 0.00 H new ATOM 0 HE ARG A 20 9.047 -3.799 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.033 -3.726 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.233 -2.782 -6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.461 -2.559 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.132 -2.135 -5.567 1.00 0.00 H new ATOM 309 N PRO A 21 4.505 -1.616 0.078 1.00 0.00 N ATOM 310 CA PRO A 21 3.925 -0.310 -0.212 1.00 0.00 C ATOM 311 C PRO A 21 4.236 0.186 -1.635 1.00 0.00 C ATOM 312 O PRO A 21 4.962 -0.448 -2.399 1.00 0.00 O ATOM 313 CB PRO A 21 4.468 0.624 0.876 1.00 0.00 C ATOM 314 CG PRO A 21 5.795 -0.007 1.287 1.00 0.00 C ATOM 315 CD PRO A 21 5.590 -1.501 1.042 1.00 0.00 C ATOM 0 HA PRO A 21 2.836 -0.351 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.609 1.636 0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.782 0.693 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.622 0.384 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.027 0.197 2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.501 -1.960 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.341 -2.016 1.970 1.00 0.00 H new ATOM 323 N LYS A 22 3.661 1.339 -1.988 1.00 0.00 N ATOM 324 CA LYS A 22 3.892 2.112 -3.220 1.00 0.00 C ATOM 325 C LYS A 22 3.742 3.611 -2.921 1.00 0.00 C ATOM 326 O LYS A 22 2.937 3.985 -2.066 1.00 0.00 O ATOM 327 CB LYS A 22 2.963 1.650 -4.371 1.00 0.00 C ATOM 328 CG LYS A 22 1.588 1.058 -3.981 1.00 0.00 C ATOM 329 CD LYS A 22 1.653 -0.477 -3.912 1.00 0.00 C ATOM 330 CE LYS A 22 0.500 -1.092 -3.120 1.00 0.00 C ATOM 331 NZ LYS A 22 0.731 -2.540 -2.953 1.00 0.00 N ATOM 0 H LYS A 22 2.975 1.791 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 22 4.910 1.930 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.789 2.503 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.498 0.902 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.276 1.457 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.836 1.362 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.646 -0.881 -4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.598 -0.774 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.418 -0.612 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.443 -0.921 -3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.093 -2.972 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.873 -2.979 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.577 -2.691 -2.367 1.00 0.00 H new ATOM 345 N CYS A 23 4.488 4.473 -3.622 1.00 0.00 N ATOM 346 CA CYS A 23 4.619 5.900 -3.291 1.00 0.00 C ATOM 347 C CYS A 23 4.491 6.816 -4.513 1.00 0.00 C ATOM 348 O CYS A 23 4.694 6.398 -5.651 1.00 0.00 O ATOM 349 CB CYS A 23 5.986 6.156 -2.617 1.00 0.00 C ATOM 350 SG CYS A 23 6.726 4.811 -1.648 1.00 0.00 S ATOM 0 H CYS A 23 5.024 4.198 -4.445 1.00 0.00 H new ATOM 0 HA CYS A 23 3.798 6.139 -2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.695 6.435 -3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.878 7.020 -1.961 1.00 0.00 H new ATOM 355 N ASP A 24 4.154 8.081 -4.253 1.00 0.00 N ATOM 356 CA ASP A 24 3.971 9.132 -5.245 1.00 0.00 C ATOM 357 C ASP A 24 5.255 9.939 -5.527 1.00 0.00 C ATOM 358 O ASP A 24 6.318 9.681 -4.961 1.00 0.00 O ATOM 359 CB ASP A 24 2.786 10.028 -4.824 1.00 0.00 C ATOM 360 CG ASP A 24 3.055 10.984 -3.656 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.174 10.966 -3.100 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.152 11.797 -3.365 1.00 0.00 O ATOM 0 H ASP A 24 3.995 8.411 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 24 3.735 8.659 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.476 10.617 -5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.946 9.386 -4.558 1.00 0.00 H new ATOM 367 N GLU A 25 5.139 10.975 -6.367 1.00 0.00 N ATOM 368 CA GLU A 25 6.239 11.876 -6.735 1.00 0.00 C ATOM 369 C GLU A 25 6.850 12.661 -5.559 1.00 0.00 C ATOM 370 O GLU A 25 7.959 13.172 -5.679 1.00 0.00 O ATOM 371 CB GLU A 25 5.810 12.827 -7.875 1.00 0.00 C ATOM 372 CG GLU A 25 4.879 14.005 -7.506 1.00 0.00 C ATOM 373 CD GLU A 25 3.445 13.630 -7.108 1.00 0.00 C ATOM 374 OE1 GLU A 25 3.024 12.489 -7.408 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.780 14.494 -6.495 1.00 0.00 O ATOM 0 H GLU A 25 4.258 11.216 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 25 7.040 11.225 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.712 13.239 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.313 12.232 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.332 14.555 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.833 14.686 -8.356 1.00 0.00 H new ATOM 382 N ASN A 26 6.145 12.732 -4.424 1.00 0.00 N ATOM 383 CA ASN A 26 6.606 13.348 -3.177 1.00 0.00 C ATOM 384 C ASN A 26 7.301 12.332 -2.251 1.00 0.00 C ATOM 385 O ASN A 26 7.805 12.708 -1.195 1.00 0.00 O ATOM 386 CB ASN A 26 5.403 13.998 -2.459 1.00 0.00 C ATOM 387 CG ASN A 26 4.540 14.823 -3.402 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.963 15.832 -3.940 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.325 14.390 -3.681 1.00 0.00 N ATOM 0 H ASN A 26 5.203 12.348 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 26 7.347 14.108 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.793 13.219 -2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.766 14.635 -1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.742 14.899 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.969 13.546 -3.232 1.00 0.00 H new ATOM 396 N GLY A 27 7.298 11.040 -2.611 1.00 0.00 N ATOM 397 CA GLY A 27 7.724 9.947 -1.742 1.00 0.00 C ATOM 398 C GLY A 27 6.699 9.579 -0.661 1.00 0.00 C ATOM 399 O GLY A 27 6.999 8.742 0.188 1.00 0.00 O ATOM 0 H GLY A 27 6.993 10.726 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.925 9.067 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.662 10.223 -1.261 1.00 0.00 H new ATOM 403 N ASN A 28 5.503 10.172 -0.670 1.00 0.00 N ATOM 404 CA ASN A 28 4.407 9.806 0.223 1.00 0.00 C ATOM 405 C ASN A 28 3.741 8.529 -0.285 1.00 0.00 C ATOM 406 O ASN A 28 3.727 8.278 -1.491 1.00 0.00 O ATOM 407 CB ASN A 28 3.390 10.956 0.279 1.00 0.00 C ATOM 408 CG ASN A 28 3.921 12.130 1.078 1.00 0.00 C ATOM 409 OD1 ASN A 28 4.325 13.149 0.546 1.00 0.00 O ATOM 410 ND2 ASN A 28 3.931 12.014 2.387 1.00 0.00 N ATOM 0 H ASN A 28 5.268 10.932 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 28 4.791 9.626 1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.152 11.282 -0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.462 10.601 0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.278 12.780 2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.591 11.158 2.826 1.00 0.00 H new ATOM 417 N TYR A 29 3.146 7.752 0.625 1.00 0.00 N ATOM 418 CA TYR A 29 2.374 6.561 0.272 1.00 0.00 C ATOM 419 C TYR A 29 1.271 6.936 -0.725 1.00 0.00 C ATOM 420 O TYR A 29 0.492 7.856 -0.468 1.00 0.00 O ATOM 421 CB TYR A 29 1.792 5.908 1.532 1.00 0.00 C ATOM 422 CG TYR A 29 2.830 5.364 2.498 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.398 6.211 3.470 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.221 4.011 2.432 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.348 5.708 4.378 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.182 3.507 3.330 1.00 0.00 C ATOM 427 CZ TYR A 29 4.745 4.357 4.308 1.00 0.00 C ATOM 428 OH TYR A 29 5.688 3.896 5.170 1.00 0.00 O ATOM 0 H TYR A 29 3.187 7.933 1.628 1.00 0.00 H new ATOM 0 HA TYR A 29 3.031 5.832 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.177 6.641 2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.132 5.094 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.104 7.249 3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.782 3.359 1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.773 6.357 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.488 2.473 3.271 1.00 0.00 H new ATOM 0 HH TYR A 29 6.216 3.196 4.733 1.00 0.00 H new ATOM 438 N LEU A 30 1.233 6.250 -1.876 1.00 0.00 N ATOM 439 CA LEU A 30 0.207 6.471 -2.892 1.00 0.00 C ATOM 440 C LEU A 30 -1.192 6.270 -2.263 1.00 0.00 C ATOM 441 O LEU A 30 -1.329 5.352 -1.451 1.00 0.00 O ATOM 442 CB LEU A 30 0.410 5.525 -4.097 1.00 0.00 C ATOM 443 CG LEU A 30 1.091 6.199 -5.301 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.572 5.149 -6.302 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.175 7.178 -6.040 1.00 0.00 C ATOM 0 H LEU A 30 1.912 5.530 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 30 0.288 7.493 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.010 4.672 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.559 5.135 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 30 1.930 6.760 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.051 5.644 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.288 4.485 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.721 4.568 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.715 7.619 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.701 6.647 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.142 7.966 -5.357 1.00 0.00 H new ATOM 457 N PRO A 31 -2.231 7.050 -2.631 1.00 0.00 N ATOM 458 CA PRO A 31 -3.557 7.024 -2.000 1.00 0.00 C ATOM 459 C PRO A 31 -4.232 5.659 -1.816 1.00 0.00 C ATOM 460 O PRO A 31 -5.077 5.546 -0.933 1.00 0.00 O ATOM 461 CB PRO A 31 -4.432 7.928 -2.871 1.00 0.00 C ATOM 462 CG PRO A 31 -3.442 8.982 -3.347 1.00 0.00 C ATOM 463 CD PRO A 31 -2.173 8.162 -3.573 1.00 0.00 C ATOM 0 HA PRO A 31 -3.429 7.354 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.877 7.383 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.252 8.368 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.778 9.471 -4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.293 9.765 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.122 7.800 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.283 8.768 -3.404 1.00 0.00 H new ATOM 471 N LEU A 32 -3.861 4.642 -2.604 1.00 0.00 N ATOM 472 CA LEU A 32 -4.252 3.237 -2.468 1.00 0.00 C ATOM 473 C LEU A 32 -3.020 2.398 -2.097 1.00 0.00 C ATOM 474 O LEU A 32 -1.965 2.553 -2.714 1.00 0.00 O ATOM 475 CB LEU A 32 -4.827 2.764 -3.818 1.00 0.00 C ATOM 476 CG LEU A 32 -5.346 1.309 -3.822 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.712 1.185 -3.164 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.473 0.803 -5.253 1.00 0.00 C ATOM 0 H LEU A 32 -3.242 4.789 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.002 3.123 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.643 3.428 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.055 2.863 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.624 0.718 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.036 0.144 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.649 1.519 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.432 1.803 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.840 -0.223 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.173 1.434 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.498 0.836 -5.739 1.00 0.00 H new ATOM 490 N GLN A 33 -3.169 1.469 -1.149 1.00 0.00 N ATOM 491 CA GLN A 33 -2.167 0.445 -0.832 1.00 0.00 C ATOM 492 C GLN A 33 -2.843 -0.936 -0.801 1.00 0.00 C ATOM 493 O GLN A 33 -4.036 -1.036 -0.506 1.00 0.00 O ATOM 494 CB GLN A 33 -1.502 0.740 0.522 1.00 0.00 C ATOM 495 CG GLN A 33 -0.818 2.108 0.655 1.00 0.00 C ATOM 496 CD GLN A 33 0.434 2.293 -0.195 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.414 1.572 -0.083 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.485 3.314 -1.019 1.00 0.00 N ATOM 0 H GLN A 33 -4.005 1.405 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.394 0.454 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.260 0.658 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.760 -0.035 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.537 2.883 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.554 2.264 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.325 3.926 -1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.334 3.496 -1.554 1.00 0.00 H new ATOM 507 N CYS A 34 -2.081 -2.001 -1.089 1.00 0.00 N ATOM 508 CA CYS A 34 -2.605 -3.366 -1.170 1.00 0.00 C ATOM 509 C CYS A 34 -1.623 -4.420 -0.636 1.00 0.00 C ATOM 510 O CYS A 34 -0.476 -4.495 -1.077 1.00 0.00 O ATOM 511 CB CYS A 34 -2.962 -3.713 -2.626 1.00 0.00 C ATOM 512 SG CYS A 34 -4.158 -2.660 -3.497 1.00 0.00 S ATOM 0 H CYS A 34 -1.080 -1.936 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.493 -3.390 -0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.038 -3.713 -3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.346 -4.733 -2.639 1.00 0.00 H new ATOM 517 N TYR A 35 -2.099 -5.299 0.249 1.00 0.00 N ATOM 518 CA TYR A 35 -1.416 -6.510 0.707 1.00 0.00 C ATOM 519 C TYR A 35 -1.701 -7.595 -0.341 1.00 0.00 C ATOM 520 O TYR A 35 -2.512 -8.506 -0.147 1.00 0.00 O ATOM 521 CB TYR A 35 -1.883 -6.836 2.138 1.00 0.00 C ATOM 522 CG TYR A 35 -1.128 -7.872 2.966 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.500 -9.001 2.396 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.107 -7.713 4.367 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.098 -9.974 3.219 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.479 -8.667 5.190 1.00 0.00 C ATOM 527 CZ TYR A 35 0.124 -9.804 4.619 1.00 0.00 C ATOM 528 OH TYR A 35 0.727 -10.721 5.426 1.00 0.00 O ATOM 0 H TYR A 35 -3.013 -5.180 0.686 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.334 -6.407 0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.878 -5.903 2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.920 -7.164 2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.478 -9.119 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.578 -6.850 4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.539 -10.855 2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.460 -8.527 6.261 1.00 0.00 H new ATOM 0 HH TYR A 35 0.912 -11.536 4.914 1.00 0.00 H new ATOM 538 N GLY A 36 -1.031 -7.444 -1.492 1.00 0.00 N ATOM 539 CA GLY A 36 -1.262 -8.206 -2.720 1.00 0.00 C ATOM 540 C GLY A 36 -1.384 -9.716 -2.509 1.00 0.00 C ATOM 541 O GLY A 36 -2.301 -10.326 -3.049 1.00 0.00 O ATOM 0 H GLY A 36 -0.283 -6.758 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.174 -7.842 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.444 -8.013 -3.413 1.00 0.00 H new ATOM 545 N SER A 37 -0.517 -10.307 -1.674 1.00 0.00 N ATOM 546 CA SER A 37 -0.504 -11.751 -1.406 1.00 0.00 C ATOM 547 C SER A 37 -1.772 -12.318 -0.740 1.00 0.00 C ATOM 548 O SER A 37 -1.869 -13.542 -0.647 1.00 0.00 O ATOM 549 CB SER A 37 0.721 -12.130 -0.573 1.00 0.00 C ATOM 550 OG SER A 37 0.782 -13.543 -0.502 1.00 0.00 O ATOM 0 H SER A 37 0.200 -9.792 -1.162 1.00 0.00 H new ATOM 0 HA SER A 37 -0.466 -12.208 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.628 -11.732 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.650 -11.701 0.426 1.00 0.00 H new ATOM 0 HG SER A 37 -0.126 -13.911 -0.517 1.00 0.00 H new ATOM 556 N ILE A 38 -2.717 -11.484 -0.284 1.00 0.00 N ATOM 557 CA ILE A 38 -4.052 -11.876 0.177 1.00 0.00 C ATOM 558 C ILE A 38 -5.173 -11.099 -0.539 1.00 0.00 C ATOM 559 O ILE A 38 -6.349 -11.317 -0.253 1.00 0.00 O ATOM 560 CB ILE A 38 -4.153 -11.748 1.713 1.00 0.00 C ATOM 561 CG1 ILE A 38 -3.771 -10.350 2.242 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.347 -12.867 2.390 1.00 0.00 C ATOM 563 CD1 ILE A 38 -3.739 -10.229 3.773 1.00 0.00 C ATOM 0 H ILE A 38 -2.564 -10.477 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.196 -12.924 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.204 -11.867 1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.789 -10.084 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.480 -9.622 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.425 -12.768 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.743 -13.836 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.301 -12.793 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.461 -9.213 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.725 -10.460 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.008 -10.929 4.178 1.00 0.00 H new ATOM 575 N GLY A 39 -4.839 -10.196 -1.468 1.00 0.00 N ATOM 576 CA GLY A 39 -5.800 -9.424 -2.259 1.00 0.00 C ATOM 577 C GLY A 39 -6.469 -8.259 -1.519 1.00 0.00 C ATOM 578 O GLY A 39 -7.366 -7.639 -2.082 1.00 0.00 O ATOM 0 H GLY A 39 -3.869 -9.978 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.289 -9.030 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.577 -10.099 -2.618 1.00 0.00 H new ATOM 582 N TYR A 40 -6.046 -7.931 -0.290 1.00 0.00 N ATOM 583 CA TYR A 40 -6.651 -6.825 0.461 1.00 0.00 C ATOM 584 C TYR A 40 -6.052 -5.490 0.024 1.00 0.00 C ATOM 585 O TYR A 40 -4.833 -5.330 0.061 1.00 0.00 O ATOM 586 CB TYR A 40 -6.423 -6.954 1.982 1.00 0.00 C ATOM 587 CG TYR A 40 -7.500 -7.692 2.753 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.833 -7.243 2.713 1.00 0.00 C ATOM 589 CD2 TYR A 40 -7.167 -8.807 3.545 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.836 -7.934 3.417 1.00 0.00 C ATOM 591 CE2 TYR A 40 -8.162 -9.507 4.250 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.503 -9.073 4.182 1.00 0.00 C ATOM 593 OH TYR A 40 -10.485 -9.748 4.835 1.00 0.00 O ATOM 0 H TYR A 40 -5.293 -8.413 0.201 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.720 -6.866 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.473 -7.463 2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.325 -5.953 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.087 -6.364 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.138 -9.128 3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.860 -7.593 3.372 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.901 -10.373 4.841 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.096 -10.508 5.316 1.00 0.00 H new ATOM 603 N CYS A 41 -6.905 -4.520 -0.311 1.00 0.00 N ATOM 604 CA CYS A 41 -6.517 -3.126 -0.507 1.00 0.00 C ATOM 605 C CYS A 41 -7.248 -2.225 0.485 1.00 0.00 C ATOM 606 O CYS A 41 -8.304 -2.577 1.013 1.00 0.00 O ATOM 607 CB CYS A 41 -6.776 -2.641 -1.937 1.00 0.00 C ATOM 608 SG CYS A 41 -5.976 -3.566 -3.272 1.00 0.00 S ATOM 0 H CYS A 41 -7.901 -4.686 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.443 -3.070 -0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.852 -2.656 -2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.457 -1.601 -2.006 1.00 0.00 H new ATOM 613 N TRP A 42 -6.678 -1.045 0.708 1.00 0.00 N ATOM 614 CA TRP A 42 -7.262 0.050 1.472 1.00 0.00 C ATOM 615 C TRP A 42 -6.732 1.375 0.914 1.00 0.00 C ATOM 616 O TRP A 42 -5.675 1.420 0.273 1.00 0.00 O ATOM 617 CB TRP A 42 -6.911 -0.119 2.955 1.00 0.00 C ATOM 618 CG TRP A 42 -5.446 -0.198 3.239 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.651 0.858 3.510 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.565 -1.359 3.165 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.352 0.421 3.690 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.235 -0.927 3.435 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.746 -2.726 2.864 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.137 -1.797 3.397 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.656 -3.611 2.823 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.353 -3.150 3.084 1.00 0.00 C ATOM 0 H TRP A 42 -5.753 -0.816 0.344 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.348 0.047 1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.332 0.718 3.513 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.390 -1.024 3.328 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.979 1.885 3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.578 1.021 3.976 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.740 -3.098 2.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.141 -1.434 3.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.820 -4.653 2.589 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.519 -3.835 3.044 1.00 0.00 H new ATOM 637 N CYS A 43 -7.438 2.470 1.195 1.00 0.00 N ATOM 638 CA CYS A 43 -6.909 3.804 0.907 1.00 0.00 C ATOM 639 C CYS A 43 -6.052 4.270 2.084 1.00 0.00 C ATOM 640 O CYS A 43 -6.294 3.848 3.214 1.00 0.00 O ATOM 641 CB CYS A 43 -8.032 4.812 0.638 1.00 0.00 C ATOM 642 SG CYS A 43 -9.107 4.438 -0.766 1.00 0.00 S ATOM 0 H CYS A 43 -8.367 2.462 1.617 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.301 3.746 0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.649 4.887 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.583 5.792 0.477 1.00 0.00 H new ATOM 647 N VAL A 44 -5.098 5.174 1.854 1.00 0.00 N ATOM 648 CA VAL A 44 -4.231 5.736 2.902 1.00 0.00 C ATOM 649 C VAL A 44 -4.110 7.251 2.818 1.00 0.00 C ATOM 650 O VAL A 44 -4.233 7.858 1.753 1.00 0.00 O ATOM 651 CB VAL A 44 -2.804 5.146 2.883 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.785 3.649 3.188 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.070 5.400 1.564 1.00 0.00 C ATOM 0 H VAL A 44 -4.900 5.544 0.924 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.726 5.460 3.833 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.276 5.674 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.758 3.285 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.207 3.474 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.377 3.118 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.073 4.962 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.627 4.946 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.987 6.474 1.395 1.00 0.00 H new ATOM 663 N PHE A 45 -3.823 7.841 3.974 1.00 0.00 N ATOM 664 CA PHE A 45 -3.378 9.218 4.114 1.00 0.00 C ATOM 665 C PHE A 45 -1.876 9.256 3.741 1.00 0.00 C ATOM 666 O PHE A 45 -1.208 8.220 3.805 1.00 0.00 O ATOM 667 CB PHE A 45 -3.666 9.658 5.557 1.00 0.00 C ATOM 668 CG PHE A 45 -5.144 9.638 5.913 1.00 0.00 C ATOM 669 CD1 PHE A 45 -6.030 10.550 5.307 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.646 8.689 6.826 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.402 10.518 5.619 1.00 0.00 C ATOM 672 CE2 PHE A 45 -7.017 8.651 7.134 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.895 9.571 6.535 1.00 0.00 C ATOM 0 H PHE A 45 -3.897 7.355 4.868 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.899 9.913 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.126 9.004 6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.278 10.666 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.655 11.276 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.972 7.986 7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.077 11.221 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.395 7.916 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.947 9.551 6.778 1.00 0.00 H new ATOM 683 N PRO A 46 -1.292 10.411 3.365 1.00 0.00 N ATOM 684 CA PRO A 46 0.066 10.468 2.798 1.00 0.00 C ATOM 685 C PRO A 46 1.206 10.035 3.747 1.00 0.00 C ATOM 686 O PRO A 46 2.346 9.875 3.301 1.00 0.00 O ATOM 687 CB PRO A 46 0.231 11.906 2.287 1.00 0.00 C ATOM 688 CG PRO A 46 -0.803 12.709 3.073 1.00 0.00 C ATOM 689 CD PRO A 46 -1.939 11.710 3.262 1.00 0.00 C ATOM 0 HA PRO A 46 0.158 9.729 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.240 12.277 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.051 11.969 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.406 13.054 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.129 13.593 2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.516 11.935 4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.633 11.739 2.422 1.00 0.00 H new ATOM 697 N ASN A 47 0.913 9.811 5.035 1.00 0.00 N ATOM 698 CA ASN A 47 1.792 9.207 6.027 1.00 0.00 C ATOM 699 C ASN A 47 1.762 7.660 6.043 1.00 0.00 C ATOM 700 O ASN A 47 2.606 7.059 6.704 1.00 0.00 O ATOM 701 CB ASN A 47 1.405 9.757 7.413 1.00 0.00 C ATOM 702 CG ASN A 47 0.172 9.060 7.978 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.799 8.812 7.277 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.209 8.668 9.233 1.00 0.00 N ATOM 0 H ASN A 47 0.006 10.062 5.427 1.00 0.00 H new ATOM 0 HA ASN A 47 2.814 9.474 5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.241 9.629 8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.214 10.828 7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.577 8.152 9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.023 8.880 9.810 1.00 0.00 H new ATOM 711 N GLY A 48 0.795 7.025 5.362 1.00 0.00 N ATOM 712 CA GLY A 48 0.593 5.574 5.307 1.00 0.00 C ATOM 713 C GLY A 48 -0.533 5.027 6.200 1.00 0.00 C ATOM 714 O GLY A 48 -0.786 3.824 6.161 1.00 0.00 O ATOM 0 H GLY A 48 0.104 7.534 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.383 5.293 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.526 5.084 5.587 1.00 0.00 H new ATOM 718 N THR A 49 -1.225 5.861 6.991 1.00 0.00 N ATOM 719 CA THR A 49 -2.355 5.428 7.834 1.00 0.00 C ATOM 720 C THR A 49 -3.574 5.186 6.948 1.00 0.00 C ATOM 721 O THR A 49 -3.876 6.025 6.101 1.00 0.00 O ATOM 722 CB THR A 49 -2.686 6.490 8.899 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.604 6.626 9.793 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.896 6.130 9.765 1.00 0.00 C ATOM 0 H THR A 49 -1.018 6.857 7.066 1.00 0.00 H new ATOM 0 HA THR A 49 -2.079 4.507 8.348 1.00 0.00 H new ATOM 0 HB THR A 49 -2.897 7.402 8.340 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.885 7.154 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.071 6.922 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.776 6.018 9.132 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.703 5.193 10.288 1.00 0.00 H new ATOM 732 N GLU A 50 -4.283 4.061 7.120 1.00 0.00 N ATOM 733 CA GLU A 50 -5.438 3.775 6.267 1.00 0.00 C ATOM 734 C GLU A 50 -6.660 4.665 6.538 1.00 0.00 C ATOM 735 O GLU A 50 -6.870 5.153 7.648 1.00 0.00 O ATOM 736 CB GLU A 50 -5.821 2.283 6.270 1.00 0.00 C ATOM 737 CG GLU A 50 -6.593 1.758 7.486 1.00 0.00 C ATOM 738 CD GLU A 50 -7.206 0.391 7.165 1.00 0.00 C ATOM 739 OE1 GLU A 50 -6.421 -0.569 6.985 1.00 0.00 O ATOM 740 OE2 GLU A 50 -8.453 0.325 7.072 1.00 0.00 O ATOM 0 H GLU A 50 -4.082 3.352 7.825 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.101 4.031 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.419 2.086 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.905 1.699 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.925 1.674 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.378 2.463 7.761 1.00 0.00 H new ATOM 747 N VAL A 51 -7.500 4.808 5.510 1.00 0.00 N ATOM 748 CA VAL A 51 -8.836 5.401 5.572 1.00 0.00 C ATOM 749 C VAL A 51 -9.796 4.280 6.008 1.00 0.00 C ATOM 750 O VAL A 51 -9.979 3.325 5.236 1.00 0.00 O ATOM 751 CB VAL A 51 -9.262 5.975 4.208 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.633 6.658 4.308 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.258 7.003 3.664 1.00 0.00 C ATOM 0 H VAL A 51 -7.255 4.499 4.569 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.850 6.233 6.277 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.304 5.127 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.913 7.056 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.379 5.932 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.582 7.472 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.606 7.377 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.171 7.833 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.284 6.530 3.540 1.00 0.00 H new ATOM 763 N PRO A 52 -10.374 4.340 7.228 1.00 0.00 N ATOM 764 CA PRO A 52 -11.243 3.292 7.760 1.00 0.00 C ATOM 765 C PRO A 52 -12.361 2.876 6.801 1.00 0.00 C ATOM 766 O PRO A 52 -12.857 3.677 6.011 1.00 0.00 O ATOM 767 CB PRO A 52 -11.822 3.852 9.064 1.00 0.00 C ATOM 768 CG PRO A 52 -10.744 4.824 9.531 1.00 0.00 C ATOM 769 CD PRO A 52 -10.221 5.400 8.218 1.00 0.00 C ATOM 0 HA PRO A 52 -10.666 2.381 7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.775 4.355 8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.000 3.065 9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.151 5.599 10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.959 4.318 10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.783 6.288 7.930 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.177 5.700 8.311 1.00 0.00 H new ATOM 777 N ASN A 53 -12.772 1.608 6.903 1.00 0.00 N ATOM 778 CA ASN A 53 -13.811 0.960 6.096 1.00 0.00 C ATOM 779 C ASN A 53 -13.530 0.884 4.580 1.00 0.00 C ATOM 780 O ASN A 53 -14.354 0.326 3.860 1.00 0.00 O ATOM 781 CB ASN A 53 -15.180 1.587 6.414 1.00 0.00 C ATOM 782 CG ASN A 53 -15.474 1.626 7.906 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.475 0.615 8.588 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.713 2.797 8.463 1.00 0.00 N ATOM 0 H ASN A 53 -12.366 0.971 7.589 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.812 -0.089 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.213 2.601 6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.961 1.020 5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.899 2.857 9.464 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.712 3.643 7.893 1.00 0.00 H new ATOM 791 N THR A 54 -12.379 1.365 4.076 1.00 0.00 N ATOM 792 CA THR A 54 -11.981 1.113 2.679 1.00 0.00 C ATOM 793 C THR A 54 -11.510 -0.324 2.496 1.00 0.00 C ATOM 794 O THR A 54 -11.692 -0.880 1.416 1.00 0.00 O ATOM 795 CB THR A 54 -10.896 2.076 2.162 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.734 2.071 2.973 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.451 3.500 2.105 1.00 0.00 C ATOM 0 H THR A 54 -11.714 1.925 4.609 1.00 0.00 H new ATOM 0 HA THR A 54 -12.878 1.290 2.086 1.00 0.00 H new ATOM 0 HB THR A 54 -10.613 1.731 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.822 2.749 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.679 4.177 1.739 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.309 3.530 1.433 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.761 3.810 3.103 1.00 0.00 H new ATOM 805 N ARG A 55 -10.965 -0.938 3.558 1.00 0.00 N ATOM 806 CA ARG A 55 -10.378 -2.277 3.599 1.00 0.00 C ATOM 807 C ARG A 55 -11.238 -3.311 2.848 1.00 0.00 C ATOM 808 O ARG A 55 -12.273 -3.740 3.353 1.00 0.00 O ATOM 809 CB ARG A 55 -10.132 -2.666 5.069 1.00 0.00 C ATOM 810 CG ARG A 55 -9.551 -4.080 5.264 1.00 0.00 C ATOM 811 CD ARG A 55 -8.162 -4.284 4.653 1.00 0.00 C ATOM 812 NE ARG A 55 -7.151 -3.467 5.345 1.00 0.00 N ATOM 813 CZ ARG A 55 -5.922 -3.827 5.681 1.00 0.00 C ATOM 814 NH1 ARG A 55 -5.450 -5.021 5.413 1.00 0.00 N ATOM 815 NH2 ARG A 55 -5.144 -2.971 6.299 1.00 0.00 N ATOM 0 H ARG A 55 -10.922 -0.478 4.468 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.422 -2.267 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.450 -1.942 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.074 -2.595 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.500 -4.294 6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.237 -4.805 4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.886 -5.337 4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.185 -4.021 3.596 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.429 -2.517 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.035 -5.704 4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.498 -5.266 5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.487 -2.036 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.196 -3.241 6.561 1.00 0.00 H new ATOM 829 N SER A 56 -10.820 -3.688 1.634 1.00 0.00 N ATOM 830 CA SER A 56 -11.616 -4.492 0.693 1.00 0.00 C ATOM 831 C SER A 56 -10.783 -5.563 -0.009 1.00 0.00 C ATOM 832 O SER A 56 -9.568 -5.443 -0.116 1.00 0.00 O ATOM 833 CB SER A 56 -12.231 -3.597 -0.396 1.00 0.00 C ATOM 834 OG SER A 56 -13.056 -2.579 0.125 1.00 0.00 O ATOM 0 H SER A 56 -9.901 -3.439 1.269 1.00 0.00 H new ATOM 0 HA SER A 56 -12.391 -4.974 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.430 -3.144 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.814 -4.215 -1.079 1.00 0.00 H new ATOM 0 HG SER A 56 -12.499 -1.886 0.538 1.00 0.00 H new ATOM 840 N ARG A 57 -11.466 -6.558 -0.591 1.00 0.00 N ATOM 841 CA ARG A 57 -10.973 -7.728 -1.347 1.00 0.00 C ATOM 842 C ARG A 57 -10.351 -7.384 -2.713 1.00 0.00 C ATOM 843 O ARG A 57 -10.188 -8.245 -3.576 1.00 0.00 O ATOM 844 CB ARG A 57 -12.162 -8.696 -1.532 1.00 0.00 C ATOM 845 CG ARG A 57 -12.749 -9.274 -0.230 1.00 0.00 C ATOM 846 CD ARG A 57 -11.970 -10.482 0.300 1.00 0.00 C ATOM 847 NE ARG A 57 -10.672 -10.120 0.889 1.00 0.00 N ATOM 848 CZ ARG A 57 -9.474 -10.497 0.467 1.00 0.00 C ATOM 849 NH1 ARG A 57 -9.270 -11.210 -0.613 1.00 0.00 N ATOM 850 NH2 ARG A 57 -8.398 -10.165 1.123 1.00 0.00 N ATOM 0 H ARG A 57 -12.485 -6.568 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.163 -8.178 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.954 -8.174 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.841 -9.523 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.761 -8.495 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.785 -9.566 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.572 -10.994 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.808 -11.188 -0.515 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.697 -9.514 1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.061 -11.508 -1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.320 -11.467 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.471 -9.607 1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.483 -10.463 0.786 1.00 0.00 H new ATOM 864 N GLY A 58 -10.074 -6.101 -2.923 1.00 0.00 N ATOM 865 CA GLY A 58 -9.569 -5.521 -4.161 1.00 0.00 C ATOM 866 C GLY A 58 -9.676 -3.998 -4.207 1.00 0.00 C ATOM 867 O GLY A 58 -9.927 -3.337 -3.200 1.00 0.00 O ATOM 0 H GLY A 58 -10.203 -5.400 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.525 -5.808 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.120 -5.942 -5.002 1.00 0.00 H new ATOM 871 N HIS A 59 -9.424 -3.473 -5.407 1.00 0.00 N ATOM 872 CA HIS A 59 -9.239 -2.063 -5.738 1.00 0.00 C ATOM 873 C HIS A 59 -10.410 -1.140 -5.367 1.00 0.00 C ATOM 874 O HIS A 59 -11.577 -1.532 -5.393 1.00 0.00 O ATOM 875 CB HIS A 59 -9.006 -1.994 -7.256 1.00 0.00 C ATOM 876 CG HIS A 59 -8.448 -0.681 -7.740 1.00 0.00 C ATOM 877 ND1 HIS A 59 -9.153 0.416 -8.193 1.00 0.00 N ATOM 878 CD2 HIS A 59 -7.117 -0.384 -7.816 1.00 0.00 C ATOM 879 CE1 HIS A 59 -8.254 1.358 -8.526 1.00 0.00 C ATOM 880 NE2 HIS A 59 -7.004 0.913 -8.323 1.00 0.00 N ATOM 0 H HIS A 59 -9.338 -4.067 -6.232 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.399 -1.698 -5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.323 -2.793 -7.543 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -9.951 -2.183 -7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.301 -1.033 -7.535 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.503 2.338 -8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.139 1.423 -8.504 1.00 0.00 H new ATOM 888 N HIS A 60 -10.081 0.130 -5.117 1.00 0.00 N ATOM 889 CA HIS A 60 -11.020 1.243 -4.984 1.00 0.00 C ATOM 890 C HIS A 60 -10.320 2.540 -5.409 1.00 0.00 C ATOM 891 O HIS A 60 -9.095 2.661 -5.360 1.00 0.00 O ATOM 892 CB HIS A 60 -11.641 1.328 -3.578 1.00 0.00 C ATOM 893 CG HIS A 60 -10.832 0.697 -2.474 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.100 -0.505 -1.864 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.671 1.175 -1.938 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.118 -0.728 -0.978 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.225 0.267 -0.988 1.00 0.00 N ATOM 0 H HIS A 60 -9.111 0.421 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.867 1.073 -5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.801 2.378 -3.333 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.622 0.853 -3.603 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.897 -1.114 -2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.184 2.100 -2.207 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.057 -1.597 -0.340 1.00 0.00 H new ATOM 905 N ASN A 61 -11.109 3.530 -5.823 1.00 0.00 N ATOM 906 CA ASN A 61 -10.641 4.730 -6.489 1.00 0.00 C ATOM 907 C ASN A 61 -10.425 5.860 -5.477 1.00 0.00 C ATOM 908 O ASN A 61 -11.183 6.826 -5.417 1.00 0.00 O ATOM 909 CB ASN A 61 -11.607 5.063 -7.640 1.00 0.00 C ATOM 910 CG ASN A 61 -11.545 4.064 -8.798 1.00 0.00 C ATOM 911 OD1 ASN A 61 -11.147 2.912 -8.671 1.00 0.00 O ATOM 912 ND2 ASN A 61 -11.942 4.482 -9.982 1.00 0.00 N ATOM 0 H ASN A 61 -12.121 3.512 -5.697 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.660 4.577 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.625 5.094 -7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.379 6.060 -8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.916 3.849 -10.781 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.275 5.439 -10.100 1.00 0.00 H new ATOM 919 N CYS A 62 -9.383 5.694 -4.660 1.00 0.00 N ATOM 920 CA CYS A 62 -9.018 6.587 -3.562 1.00 0.00 C ATOM 921 C CYS A 62 -8.857 8.049 -4.008 1.00 0.00 C ATOM 922 O CYS A 62 -7.923 8.389 -4.738 1.00 0.00 O ATOM 923 CB CYS A 62 -7.731 6.087 -2.909 1.00 0.00 C ATOM 924 SG CYS A 62 -7.812 4.382 -2.331 1.00 0.00 S ATOM 0 H CYS A 62 -8.746 4.902 -4.750 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.836 6.572 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.914 6.178 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.489 6.734 -2.066 1.00 0.00 H new ATOM 929 N SER A 63 -9.768 8.917 -3.556 1.00 0.00 N ATOM 930 CA SER A 63 -9.871 10.328 -3.930 1.00 0.00 C ATOM 931 C SER A 63 -8.733 11.177 -3.337 1.00 0.00 C ATOM 932 O SER A 63 -8.952 11.963 -2.413 1.00 0.00 O ATOM 933 CB SER A 63 -11.255 10.856 -3.519 1.00 0.00 C ATOM 934 OG SER A 63 -11.351 10.880 -2.110 1.00 0.00 O ATOM 0 H SER A 63 -10.487 8.640 -2.888 1.00 0.00 H new ATOM 0 HA SER A 63 -9.763 10.410 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.408 11.857 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.037 10.221 -3.937 1.00 0.00 H new ATOM 0 HG SER A 63 -10.563 11.327 -1.736 1.00 0.00 H new ATOM 940 N GLU A 64 -7.513 10.993 -3.854 1.00 0.00 N ATOM 941 CA GLU A 64 -6.271 11.676 -3.446 1.00 0.00 C ATOM 942 C GLU A 64 -5.946 11.563 -1.943 1.00 0.00 C ATOM 943 O GLU A 64 -5.215 12.377 -1.389 1.00 0.00 O ATOM 944 CB GLU A 64 -6.255 13.131 -3.956 1.00 0.00 C ATOM 945 CG GLU A 64 -6.394 13.230 -5.482 1.00 0.00 C ATOM 946 CD GLU A 64 -6.297 14.681 -5.948 1.00 0.00 C ATOM 947 OE1 GLU A 64 -5.157 15.120 -6.222 1.00 0.00 O ATOM 948 OE2 GLU A 64 -7.363 15.331 -6.020 1.00 0.00 O ATOM 0 H GLU A 64 -7.352 10.328 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.454 11.140 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.067 13.685 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.324 13.608 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.614 12.638 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.350 12.808 -5.792 1.00 0.00 H new ATOM 955 N SER A 65 -6.474 10.517 -1.302 1.00 0.00 N ATOM 956 CA SER A 65 -6.502 10.259 0.139 1.00 0.00 C ATOM 957 C SER A 65 -5.178 10.564 0.840 1.00 0.00 C ATOM 958 O SER A 65 -5.181 11.177 1.908 1.00 0.00 O ATOM 959 CB SER A 65 -6.916 8.804 0.383 1.00 0.00 C ATOM 960 OG SER A 65 -8.151 8.528 -0.259 1.00 0.00 O ATOM 0 H SER A 65 -6.931 9.767 -1.821 1.00 0.00 H new ATOM 0 HA SER A 65 -7.233 10.941 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.145 8.132 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.006 8.619 1.453 1.00 0.00 H new ATOM 0 HG SER A 65 -8.560 7.735 0.146 1.00 0.00 H new TER 966 SER A 65