USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 564 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 18 THR OG1 : rot 80:sc= 1.25 USER MOD Set 1.2: A 39 SER OG : rot 112:sc= 0.0533 USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -0.685 F(o=-2.8!,f=0.023) USER MOD Set 2.2: A 23 THR OG1 : rot -70:sc= 0.708 USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.00553 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0331 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0734 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 44:sc= 0.885 USER MOD Single : A 12 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.83) USER MOD Single : A 13 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.019) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -120:sc= -0.0653 USER MOD Single : A 35 ASN : amide:sc= 0.441 K(o=0.44,f=-0.1) USER MOD Single : A 38 ASN : amide:sc= -4.39! C(o=-4.4!,f=-4.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -51:sc= -0.39 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -113:sc= -0.0193 (180deg=-1.8!) USER MOD Single : A 52 SER OG : rot 160:sc= 0 USER MOD Single : A 53 SER OG : rot -2:sc= -0.131 USER MOD Single : A 54 MET CE :methyl -175:sc= 0 (180deg=-0.0318) USER MOD Single : A 57 THR OG1 : rot 31:sc= 0.395 USER MOD Single : A 62 GLN : amide:sc= 0.00277 X(o=0.0028,f=0) USER MOD Single : A 65 THR OG1 : rot 37:sc= 0.0762 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.75 K(o=-3.8,f=-9.4!) USER MOD Single : A 74 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 75 THR OG1 : rot 84:sc= 0.493 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 8:sc= 0.502 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.450 41.635 -16.632 1.00 0.00 N ATOM 2 CA GLY A 1 -19.436 41.359 -15.604 1.00 0.00 C ATOM 3 C GLY A 1 -18.872 40.529 -14.468 1.00 0.00 C ATOM 4 O GLY A 1 -17.728 40.722 -14.058 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.655 42.555 -17.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.501 41.658 -16.206 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.486 40.890 -17.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.817 42.300 -15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.282 40.835 -16.048 1.00 0.00 H new ATOM 8 N SER A 2 -19.678 39.604 -13.956 1.00 0.00 N ATOM 9 CA SER A 2 -19.255 38.745 -12.856 1.00 0.00 C ATOM 10 C SER A 2 -19.970 37.398 -12.913 1.00 0.00 C ATOM 11 O SER A 2 -21.177 37.333 -13.141 1.00 0.00 O ATOM 12 CB SER A 2 -19.531 39.426 -11.515 1.00 0.00 C ATOM 13 OG SER A 2 -18.847 40.664 -11.421 1.00 0.00 O ATOM 0 H SER A 2 -20.628 39.430 -14.285 1.00 0.00 H new ATOM 0 HA SER A 2 -18.183 38.572 -12.953 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.603 39.589 -11.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.219 38.772 -10.701 1.00 0.00 H new ATOM 0 HG SER A 2 -19.041 41.080 -10.555 1.00 0.00 H new ATOM 19 N SER A 3 -19.214 36.325 -12.703 1.00 0.00 N ATOM 20 CA SER A 3 -19.773 34.979 -12.733 1.00 0.00 C ATOM 21 C SER A 3 -19.092 34.084 -11.702 1.00 0.00 C ATOM 22 O SER A 3 -17.867 34.071 -11.588 1.00 0.00 O ATOM 23 CB SER A 3 -19.623 34.373 -14.129 1.00 0.00 C ATOM 24 OG SER A 3 -18.258 34.192 -14.463 1.00 0.00 O ATOM 0 H SER A 3 -18.213 36.362 -12.510 1.00 0.00 H new ATOM 0 HA SER A 3 -20.832 35.047 -12.486 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.141 33.415 -14.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.097 35.023 -14.864 1.00 0.00 H new ATOM 0 HG SER A 3 -18.190 33.802 -15.359 1.00 0.00 H new ATOM 30 N GLY A 4 -19.896 33.337 -10.952 1.00 0.00 N ATOM 31 CA GLY A 4 -19.354 32.450 -9.939 1.00 0.00 C ATOM 32 C GLY A 4 -20.003 31.080 -9.961 1.00 0.00 C ATOM 33 O GLY A 4 -21.066 30.899 -10.556 1.00 0.00 O ATOM 0 H GLY A 4 -20.913 33.330 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.280 32.342 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.493 32.899 -8.955 1.00 0.00 H new ATOM 37 N SER A 5 -19.363 30.113 -9.312 1.00 0.00 N ATOM 38 CA SER A 5 -19.882 28.751 -9.264 1.00 0.00 C ATOM 39 C SER A 5 -19.322 27.999 -8.061 1.00 0.00 C ATOM 40 O SER A 5 -18.276 28.360 -7.520 1.00 0.00 O ATOM 41 CB SER A 5 -19.535 28.005 -10.553 1.00 0.00 C ATOM 42 OG SER A 5 -19.913 26.642 -10.471 1.00 0.00 O ATOM 0 H SER A 5 -18.484 30.247 -8.812 1.00 0.00 H new ATOM 0 HA SER A 5 -20.966 28.805 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.040 28.476 -11.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.464 28.078 -10.742 1.00 0.00 H new ATOM 0 HG SER A 5 -19.682 26.188 -11.308 1.00 0.00 H new ATOM 48 N SER A 6 -20.025 26.950 -7.647 1.00 0.00 N ATOM 49 CA SER A 6 -19.602 26.147 -6.505 1.00 0.00 C ATOM 50 C SER A 6 -20.344 24.815 -6.472 1.00 0.00 C ATOM 51 O SER A 6 -21.411 24.671 -7.067 1.00 0.00 O ATOM 52 CB SER A 6 -19.842 26.910 -5.201 1.00 0.00 C ATOM 53 OG SER A 6 -19.186 26.281 -4.114 1.00 0.00 O ATOM 0 H SER A 6 -20.891 26.636 -8.085 1.00 0.00 H new ATOM 0 HA SER A 6 -18.536 25.946 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.482 27.934 -5.304 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.912 26.967 -5.001 1.00 0.00 H new ATOM 0 HG SER A 6 -19.353 26.789 -3.293 1.00 0.00 H new ATOM 59 N GLY A 7 -19.770 23.841 -5.772 1.00 0.00 N ATOM 60 CA GLY A 7 -20.390 22.533 -5.674 1.00 0.00 C ATOM 61 C GLY A 7 -19.377 21.406 -5.723 1.00 0.00 C ATOM 62 O GLY A 7 -18.838 21.093 -6.784 1.00 0.00 O ATOM 0 H GLY A 7 -18.886 23.935 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.954 22.470 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.104 22.411 -6.488 1.00 0.00 H new ATOM 66 N ARG A 8 -19.116 20.797 -4.571 1.00 0.00 N ATOM 67 CA ARG A 8 -18.158 19.700 -4.486 1.00 0.00 C ATOM 68 C ARG A 8 -18.680 18.593 -3.575 1.00 0.00 C ATOM 69 O ARG A 8 -19.353 18.859 -2.579 1.00 0.00 O ATOM 70 CB ARG A 8 -16.812 20.210 -3.968 1.00 0.00 C ATOM 71 CG ARG A 8 -16.239 21.356 -4.786 1.00 0.00 C ATOM 72 CD ARG A 8 -15.874 20.908 -6.193 1.00 0.00 C ATOM 73 NE ARG A 8 -15.697 22.040 -7.099 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.556 22.708 -7.226 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.496 22.359 -6.509 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.472 23.727 -8.072 1.00 0.00 N ATOM 0 H ARG A 8 -19.554 21.044 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.022 19.290 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.930 20.536 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.098 19.386 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.966 22.166 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.354 21.753 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.955 20.323 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.655 20.253 -6.579 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.493 22.334 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.556 21.576 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.621 22.874 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.284 23.998 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.595 24.239 -8.168 1.00 0.00 H new ATOM 90 N TYR A 9 -18.364 17.350 -3.924 1.00 0.00 N ATOM 91 CA TYR A 9 -18.803 16.202 -3.140 1.00 0.00 C ATOM 92 C TYR A 9 -17.696 15.726 -2.204 1.00 0.00 C ATOM 93 O TYR A 9 -16.529 15.625 -2.582 1.00 0.00 O ATOM 94 CB TYR A 9 -19.230 15.060 -4.064 1.00 0.00 C ATOM 95 CG TYR A 9 -18.481 15.031 -5.377 1.00 0.00 C ATOM 96 CD1 TYR A 9 -17.197 14.506 -5.455 1.00 0.00 C ATOM 97 CD2 TYR A 9 -19.057 15.528 -6.539 1.00 0.00 C ATOM 98 CE1 TYR A 9 -16.508 14.478 -6.652 1.00 0.00 C ATOM 99 CE2 TYR A 9 -18.376 15.503 -7.741 1.00 0.00 C ATOM 100 CZ TYR A 9 -17.102 14.977 -7.792 1.00 0.00 C ATOM 101 OH TYR A 9 -16.420 14.950 -8.987 1.00 0.00 O ATOM 0 H TYR A 9 -17.806 17.112 -4.744 1.00 0.00 H new ATOM 0 HA TYR A 9 -19.656 16.511 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -19.080 14.111 -3.549 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -20.298 15.147 -4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -16.729 14.113 -4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -20.054 15.941 -6.502 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -15.510 14.068 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -18.839 15.893 -8.636 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.979 15.338 -9.692 1.00 0.00 H new ATOM 111 N PRO A 10 -18.070 15.426 -0.951 1.00 0.00 N ATOM 112 CA PRO A 10 -17.125 14.955 0.065 1.00 0.00 C ATOM 113 C PRO A 10 -16.616 13.547 -0.224 1.00 0.00 C ATOM 114 O PRO A 10 -17.132 12.565 0.311 1.00 0.00 O ATOM 115 CB PRO A 10 -17.953 14.969 1.353 1.00 0.00 C ATOM 116 CG PRO A 10 -19.364 14.824 0.897 1.00 0.00 C ATOM 117 CD PRO A 10 -19.444 15.523 -0.432 1.00 0.00 C ATOM 0 HA PRO A 10 -16.231 15.577 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -17.666 14.154 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.809 15.897 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.637 13.773 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.054 15.269 1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -20.160 15.041 -1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -19.760 16.560 -0.322 1.00 0.00 H new ATOM 125 N THR A 11 -15.599 13.454 -1.076 1.00 0.00 N ATOM 126 CA THR A 11 -15.020 12.166 -1.437 1.00 0.00 C ATOM 127 C THR A 11 -13.599 12.032 -0.902 1.00 0.00 C ATOM 128 O THR A 11 -12.631 12.321 -1.605 1.00 0.00 O ATOM 129 CB THR A 11 -15.002 11.967 -2.965 1.00 0.00 C ATOM 130 OG1 THR A 11 -14.235 13.006 -3.585 1.00 0.00 O ATOM 131 CG2 THR A 11 -16.415 11.969 -3.527 1.00 0.00 C ATOM 0 H THR A 11 -15.160 14.256 -1.529 1.00 0.00 H new ATOM 0 HA THR A 11 -15.649 11.399 -0.985 1.00 0.00 H new ATOM 0 HB THR A 11 -14.544 11.001 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.409 13.150 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.377 11.827 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.988 11.160 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.894 12.922 -3.303 1.00 0.00 H new ATOM 139 N ASN A 12 -13.481 11.592 0.347 1.00 0.00 N ATOM 140 CA ASN A 12 -12.176 11.420 0.976 1.00 0.00 C ATOM 141 C ASN A 12 -12.081 10.063 1.667 1.00 0.00 C ATOM 142 O ASN A 12 -11.067 9.373 1.564 1.00 0.00 O ATOM 143 CB ASN A 12 -11.924 12.539 1.988 1.00 0.00 C ATOM 144 CG ASN A 12 -12.635 12.299 3.305 1.00 0.00 C ATOM 145 OD1 ASN A 12 -12.009 11.961 4.310 1.00 0.00 O ATOM 146 ND2 ASN A 12 -13.952 12.473 3.307 1.00 0.00 N ATOM 0 H ASN A 12 -14.272 11.348 0.943 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.415 11.466 0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.853 12.628 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.256 13.488 1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.485 12.326 4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.431 12.754 2.451 1.00 0.00 H new ATOM 153 N ASN A 13 -13.144 9.687 2.370 1.00 0.00 N ATOM 154 CA ASN A 13 -13.180 8.413 3.078 1.00 0.00 C ATOM 155 C ASN A 13 -13.653 7.292 2.157 1.00 0.00 C ATOM 156 O ASN A 13 -14.804 7.277 1.719 1.00 0.00 O ATOM 157 CB ASN A 13 -14.100 8.509 4.297 1.00 0.00 C ATOM 158 CG ASN A 13 -15.561 8.640 3.910 1.00 0.00 C ATOM 159 OD1 ASN A 13 -15.888 9.178 2.852 1.00 0.00 O ATOM 160 ND2 ASN A 13 -16.447 8.148 4.768 1.00 0.00 N ATOM 0 H ASN A 13 -13.992 10.246 2.465 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.168 8.183 3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.970 7.623 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.809 9.368 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.444 8.208 4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.130 7.710 5.633 1.00 0.00 H new ATOM 167 N PHE A 14 -12.757 6.354 1.867 1.00 0.00 N ATOM 168 CA PHE A 14 -13.081 5.229 0.998 1.00 0.00 C ATOM 169 C PHE A 14 -12.697 3.906 1.654 1.00 0.00 C ATOM 170 O PHE A 14 -12.042 3.884 2.695 1.00 0.00 O ATOM 171 CB PHE A 14 -12.364 5.372 -0.346 1.00 0.00 C ATOM 172 CG PHE A 14 -13.063 6.295 -1.303 1.00 0.00 C ATOM 173 CD1 PHE A 14 -14.071 5.824 -2.129 1.00 0.00 C ATOM 174 CD2 PHE A 14 -12.712 7.633 -1.377 1.00 0.00 C ATOM 175 CE1 PHE A 14 -14.715 6.671 -3.011 1.00 0.00 C ATOM 176 CE2 PHE A 14 -13.353 8.485 -2.257 1.00 0.00 C ATOM 177 CZ PHE A 14 -14.356 8.003 -3.074 1.00 0.00 C ATOM 0 H PHE A 14 -11.801 6.351 2.221 1.00 0.00 H new ATOM 0 HA PHE A 14 -14.158 5.231 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.353 5.740 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.271 4.388 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.357 4.783 -2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.928 8.015 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.498 6.292 -3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.070 9.526 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.859 8.667 -3.761 1.00 0.00 H new ATOM 187 N GLY A 15 -13.111 2.804 1.036 1.00 0.00 N ATOM 188 CA GLY A 15 -12.801 1.492 1.574 1.00 0.00 C ATOM 189 C GLY A 15 -12.251 0.549 0.523 1.00 0.00 C ATOM 190 O GLY A 15 -12.639 -0.617 0.461 1.00 0.00 O ATOM 0 H GLY A 15 -13.655 2.796 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.075 1.596 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.702 1.060 2.010 1.00 0.00 H new ATOM 194 N ASN A 16 -11.345 1.056 -0.308 1.00 0.00 N ATOM 195 CA ASN A 16 -10.742 0.251 -1.364 1.00 0.00 C ATOM 196 C ASN A 16 -9.237 0.490 -1.437 1.00 0.00 C ATOM 197 O ASN A 16 -8.696 1.340 -0.729 1.00 0.00 O ATOM 198 CB ASN A 16 -11.387 0.575 -2.712 1.00 0.00 C ATOM 199 CG ASN A 16 -12.859 0.916 -2.581 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.601 0.076 -1.870 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.323 1.925 -3.114 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.013 2.020 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.915 -0.799 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.862 1.413 -3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.272 -0.278 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.715 2.543 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.315 2.142 -3.018 1.00 0.00 H new ATOM 208 N CYS A 17 -8.565 -0.266 -2.300 1.00 0.00 N ATOM 209 CA CYS A 17 -7.122 -0.137 -2.467 1.00 0.00 C ATOM 210 C CYS A 17 -6.778 1.108 -3.280 1.00 0.00 C ATOM 211 O CYS A 17 -7.520 1.500 -4.181 1.00 0.00 O ATOM 212 CB CYS A 17 -6.555 -1.381 -3.154 1.00 0.00 C ATOM 213 SG CYS A 17 -4.747 -1.347 -3.378 1.00 0.00 S ATOM 0 H CYS A 17 -8.997 -0.974 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.673 -0.039 -1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.821 -2.260 -2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.029 -1.493 -4.129 1.00 0.00 H new ATOM 218 N THR A 18 -5.646 1.726 -2.955 1.00 0.00 N ATOM 219 CA THR A 18 -5.203 2.926 -3.652 1.00 0.00 C ATOM 220 C THR A 18 -4.187 2.588 -4.737 1.00 0.00 C ATOM 221 O THR A 18 -3.378 3.429 -5.127 1.00 0.00 O ATOM 222 CB THR A 18 -4.579 3.944 -2.679 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.247 3.884 -1.413 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.669 5.355 -3.240 1.00 0.00 C ATOM 0 H THR A 18 -5.020 1.414 -2.213 1.00 0.00 H new ATOM 0 HA THR A 18 -6.087 3.369 -4.111 1.00 0.00 H new ATOM 0 HB THR A 18 -3.527 3.690 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.903 3.125 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.222 6.056 -2.535 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.135 5.404 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.715 5.617 -3.399 1.00 0.00 H new ATOM 232 N GLY A 19 -4.234 1.351 -5.221 1.00 0.00 N ATOM 233 CA GLY A 19 -3.311 0.924 -6.257 1.00 0.00 C ATOM 234 C GLY A 19 -4.006 0.185 -7.383 1.00 0.00 C ATOM 235 O GLY A 19 -3.679 0.375 -8.555 1.00 0.00 O ATOM 0 H GLY A 19 -4.894 0.637 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.796 1.795 -6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.550 0.279 -5.818 1.00 0.00 H new ATOM 239 N CYS A 20 -4.967 -0.661 -7.030 1.00 0.00 N ATOM 240 CA CYS A 20 -5.710 -1.433 -8.019 1.00 0.00 C ATOM 241 C CYS A 20 -7.209 -1.180 -7.893 1.00 0.00 C ATOM 242 O CYS A 20 -8.005 -1.698 -8.677 1.00 0.00 O ATOM 243 CB CYS A 20 -5.418 -2.926 -7.855 1.00 0.00 C ATOM 244 SG CYS A 20 -5.886 -3.601 -6.228 1.00 0.00 S ATOM 0 H CYS A 20 -5.250 -0.830 -6.065 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.388 -1.113 -9.010 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.949 -3.477 -8.631 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.353 -3.097 -8.015 1.00 0.00 H new ATOM 249 N SER A 21 -7.587 -0.379 -6.902 1.00 0.00 N ATOM 250 CA SER A 21 -8.991 -0.059 -6.671 1.00 0.00 C ATOM 251 C SER A 21 -9.812 -1.329 -6.472 1.00 0.00 C ATOM 252 O SER A 21 -10.882 -1.489 -7.059 1.00 0.00 O ATOM 253 CB SER A 21 -9.553 0.745 -7.845 1.00 0.00 C ATOM 254 OG SER A 21 -8.981 2.041 -7.896 1.00 0.00 O ATOM 0 H SER A 21 -6.941 0.060 -6.246 1.00 0.00 H new ATOM 0 HA SER A 21 -9.056 0.542 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.354 0.219 -8.779 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.636 0.825 -7.750 1.00 0.00 H new ATOM 0 HG SER A 21 -9.355 2.534 -8.656 1.00 0.00 H new ATOM 260 N ALA A 22 -9.303 -2.230 -5.638 1.00 0.00 N ATOM 261 CA ALA A 22 -9.988 -3.486 -5.358 1.00 0.00 C ATOM 262 C ALA A 22 -10.491 -3.528 -3.919 1.00 0.00 C ATOM 263 O ALA A 22 -9.710 -3.696 -2.982 1.00 0.00 O ATOM 264 CB ALA A 22 -9.065 -4.664 -5.632 1.00 0.00 C ATOM 0 H ALA A 22 -8.418 -2.113 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.852 -3.555 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.590 -5.595 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.760 -4.651 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.183 -4.591 -4.996 1.00 0.00 H new ATOM 270 N THR A 23 -11.800 -3.374 -3.750 1.00 0.00 N ATOM 271 CA THR A 23 -12.407 -3.393 -2.425 1.00 0.00 C ATOM 272 C THR A 23 -12.003 -4.644 -1.653 1.00 0.00 C ATOM 273 O THR A 23 -11.937 -5.738 -2.215 1.00 0.00 O ATOM 274 CB THR A 23 -13.944 -3.329 -2.509 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.342 -2.277 -3.395 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.552 -3.099 -1.134 1.00 0.00 C ATOM 0 H THR A 23 -12.461 -3.235 -4.515 1.00 0.00 H new ATOM 0 HA THR A 23 -12.043 -2.511 -1.898 1.00 0.00 H new ATOM 0 HB THR A 23 -14.305 -4.283 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.141 -1.410 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.638 -3.057 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.271 -3.917 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.184 -2.158 -0.726 1.00 0.00 H new ATOM 284 N PHE A 24 -11.735 -4.477 -0.362 1.00 0.00 N ATOM 285 CA PHE A 24 -11.338 -5.594 0.487 1.00 0.00 C ATOM 286 C PHE A 24 -12.559 -6.265 1.110 1.00 0.00 C ATOM 287 O PHE A 24 -13.145 -5.751 2.062 1.00 0.00 O ATOM 288 CB PHE A 24 -10.390 -5.113 1.588 1.00 0.00 C ATOM 289 CG PHE A 24 -9.568 -3.919 1.192 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.374 -4.079 0.508 1.00 0.00 C ATOM 291 CD2 PHE A 24 -9.991 -2.637 1.504 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.616 -2.983 0.142 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.237 -1.537 1.140 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.048 -1.710 0.460 1.00 0.00 C ATOM 0 H PHE A 24 -11.786 -3.579 0.119 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.821 -6.325 -0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.973 -4.865 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.722 -5.929 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.031 -5.072 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.920 -2.496 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.687 -3.121 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.578 -0.543 1.387 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.457 -0.852 0.177 1.00 0.00 H new ATOM 304 N SER A 25 -12.936 -7.417 0.564 1.00 0.00 N ATOM 305 CA SER A 25 -14.089 -8.157 1.062 1.00 0.00 C ATOM 306 C SER A 25 -13.652 -9.452 1.740 1.00 0.00 C ATOM 307 O SER A 25 -13.742 -9.589 2.960 1.00 0.00 O ATOM 308 CB SER A 25 -15.055 -8.469 -0.083 1.00 0.00 C ATOM 309 OG SER A 25 -16.388 -8.568 0.387 1.00 0.00 O ATOM 0 H SER A 25 -12.460 -7.858 -0.223 1.00 0.00 H new ATOM 0 HA SER A 25 -14.598 -7.535 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.990 -7.688 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.765 -9.404 -0.563 1.00 0.00 H new ATOM 0 HG SER A 25 -16.986 -8.766 -0.364 1.00 0.00 H new ATOM 315 N VAL A 26 -13.177 -10.401 0.939 1.00 0.00 N ATOM 316 CA VAL A 26 -12.725 -11.685 1.460 1.00 0.00 C ATOM 317 C VAL A 26 -11.368 -12.067 0.878 1.00 0.00 C ATOM 318 O VAL A 26 -10.563 -12.729 1.534 1.00 0.00 O ATOM 319 CB VAL A 26 -13.737 -12.805 1.152 1.00 0.00 C ATOM 320 CG1 VAL A 26 -15.003 -12.621 1.975 1.00 0.00 C ATOM 321 CG2 VAL A 26 -14.058 -12.838 -0.334 1.00 0.00 C ATOM 0 H VAL A 26 -13.095 -10.304 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.636 -11.574 2.541 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.290 -13.761 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.706 -13.421 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.755 -12.651 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.456 -11.659 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.774 -13.635 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.486 -11.882 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.144 -13.021 -0.900 1.00 0.00 H new ATOM 331 N LEU A 27 -11.122 -11.647 -0.358 1.00 0.00 N ATOM 332 CA LEU A 27 -9.862 -11.944 -1.030 1.00 0.00 C ATOM 333 C LEU A 27 -8.702 -11.213 -0.361 1.00 0.00 C ATOM 334 O LEU A 27 -7.676 -11.815 -0.041 1.00 0.00 O ATOM 335 CB LEU A 27 -9.944 -11.552 -2.506 1.00 0.00 C ATOM 336 CG LEU A 27 -10.519 -12.607 -3.451 1.00 0.00 C ATOM 337 CD1 LEU A 27 -10.760 -12.015 -4.831 1.00 0.00 C ATOM 338 CD2 LEU A 27 -9.589 -13.809 -3.539 1.00 0.00 C ATOM 0 H LEU A 27 -11.778 -11.100 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.683 -13.016 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.551 -10.650 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.942 -11.294 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.476 -12.942 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.169 -12.781 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.466 -11.188 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.818 -11.651 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.015 -14.550 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.617 -13.490 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.469 -14.249 -2.549 1.00 0.00 H new ATOM 350 N LYS A 28 -8.872 -9.913 -0.150 1.00 0.00 N ATOM 351 CA LYS A 28 -7.842 -9.099 0.484 1.00 0.00 C ATOM 352 C LYS A 28 -8.407 -8.343 1.683 1.00 0.00 C ATOM 353 O LYS A 28 -9.621 -8.277 1.872 1.00 0.00 O ATOM 354 CB LYS A 28 -7.252 -8.109 -0.524 1.00 0.00 C ATOM 355 CG LYS A 28 -8.299 -7.408 -1.372 1.00 0.00 C ATOM 356 CD LYS A 28 -8.637 -8.211 -2.617 1.00 0.00 C ATOM 357 CE LYS A 28 -9.912 -7.707 -3.277 1.00 0.00 C ATOM 358 NZ LYS A 28 -10.113 -8.306 -4.625 1.00 0.00 N ATOM 0 H LYS A 28 -9.714 -9.400 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.053 -9.765 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.670 -7.360 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.561 -8.639 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.202 -7.253 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.934 -6.423 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.811 -8.150 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.754 -9.262 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.767 -7.944 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.871 -6.621 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.992 -7.937 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.310 -8.059 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.178 -9.340 -4.539 1.00 0.00 H new ATOM 372 N LYS A 29 -7.518 -7.774 2.490 1.00 0.00 N ATOM 373 CA LYS A 29 -7.927 -7.021 3.669 1.00 0.00 C ATOM 374 C LYS A 29 -7.385 -5.595 3.619 1.00 0.00 C ATOM 375 O LYS A 29 -6.312 -5.348 3.070 1.00 0.00 O ATOM 376 CB LYS A 29 -7.438 -7.719 4.940 1.00 0.00 C ATOM 377 CG LYS A 29 -5.941 -7.972 4.958 1.00 0.00 C ATOM 378 CD LYS A 29 -5.592 -9.200 5.782 1.00 0.00 C ATOM 379 CE LYS A 29 -4.089 -9.339 5.967 1.00 0.00 C ATOM 380 NZ LYS A 29 -3.438 -9.955 4.777 1.00 0.00 N ATOM 0 H LYS A 29 -6.509 -7.820 2.349 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.016 -6.977 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.705 -7.111 5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.960 -8.670 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.581 -8.103 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.429 -7.101 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.075 -9.134 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.983 -10.091 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.653 -8.357 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.886 -9.948 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.433 -10.126 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.904 -10.858 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.522 -9.312 3.964 1.00 0.00 H new ATOM 394 N ARG A 30 -8.135 -4.662 4.197 1.00 0.00 N ATOM 395 CA ARG A 30 -7.729 -3.262 4.218 1.00 0.00 C ATOM 396 C ARG A 30 -6.375 -3.098 4.903 1.00 0.00 C ATOM 397 O ARG A 30 -6.303 -2.864 6.109 1.00 0.00 O ATOM 398 CB ARG A 30 -8.782 -2.415 4.936 1.00 0.00 C ATOM 399 CG ARG A 30 -8.415 -0.943 5.034 1.00 0.00 C ATOM 400 CD ARG A 30 -8.946 -0.156 3.846 1.00 0.00 C ATOM 401 NE ARG A 30 -9.189 1.244 4.182 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.260 1.666 4.846 1.00 0.00 C ATOM 403 NH1 ARG A 30 -11.181 0.799 5.243 1.00 0.00 N ATOM 404 NH2 ARG A 30 -10.410 2.957 5.114 1.00 0.00 N ATOM 0 H ARG A 30 -9.026 -4.850 4.656 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.638 -2.920 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.732 -2.510 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.932 -2.811 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.819 -0.527 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.331 -0.840 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.232 -0.213 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.872 -0.611 3.495 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.499 1.936 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.068 -0.194 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.002 1.125 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.703 3.626 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.232 3.280 5.624 1.00 0.00 H new ATOM 418 N ARG A 31 -5.305 -3.224 4.124 1.00 0.00 N ATOM 419 CA ARG A 31 -3.954 -3.092 4.656 1.00 0.00 C ATOM 420 C ARG A 31 -3.555 -1.623 4.767 1.00 0.00 C ATOM 421 O ARG A 31 -4.283 -0.736 4.321 1.00 0.00 O ATOM 422 CB ARG A 31 -2.958 -3.837 3.766 1.00 0.00 C ATOM 423 CG ARG A 31 -2.743 -5.285 4.172 1.00 0.00 C ATOM 424 CD ARG A 31 -1.778 -5.990 3.232 1.00 0.00 C ATOM 425 NE ARG A 31 -0.393 -5.870 3.679 1.00 0.00 N ATOM 426 CZ ARG A 31 0.083 -6.468 4.766 1.00 0.00 C ATOM 427 NH1 ARG A 31 -0.710 -7.223 5.512 1.00 0.00 N ATOM 428 NH2 ARG A 31 1.356 -6.310 5.107 1.00 0.00 N ATOM 0 H ARG A 31 -5.348 -3.417 3.123 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.938 -3.531 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.311 -3.806 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.001 -3.316 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.355 -5.325 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.699 -5.809 4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.046 -7.044 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.874 -5.569 2.231 1.00 0.00 H new ATOM 0 HE ARG A 31 0.244 -5.296 3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.689 -7.346 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.342 -7.681 6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.969 -5.729 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.721 -6.769 5.941 1.00 0.00 H new ATOM 442 N SER A 32 -2.394 -1.374 5.364 1.00 0.00 N ATOM 443 CA SER A 32 -1.899 -0.014 5.537 1.00 0.00 C ATOM 444 C SER A 32 -0.417 0.074 5.188 1.00 0.00 C ATOM 445 O SER A 32 0.402 -0.685 5.707 1.00 0.00 O ATOM 446 CB SER A 32 -2.125 0.454 6.976 1.00 0.00 C ATOM 447 OG SER A 32 -3.490 0.756 7.207 1.00 0.00 O ATOM 0 H SER A 32 -1.778 -2.097 5.736 1.00 0.00 H new ATOM 0 HA SER A 32 -2.452 0.636 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.799 -0.321 7.669 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.516 1.336 7.175 1.00 0.00 H new ATOM 0 HG SER A 32 -3.607 1.051 8.134 1.00 0.00 H new ATOM 453 N CYS A 33 -0.078 1.007 4.304 1.00 0.00 N ATOM 454 CA CYS A 33 1.305 1.196 3.883 1.00 0.00 C ATOM 455 C CYS A 33 2.167 1.675 5.048 1.00 0.00 C ATOM 456 O CYS A 33 1.653 2.131 6.068 1.00 0.00 O ATOM 457 CB CYS A 33 1.377 2.203 2.733 1.00 0.00 C ATOM 458 SG CYS A 33 3.019 2.326 1.954 1.00 0.00 S ATOM 0 H CYS A 33 -0.743 1.644 3.865 1.00 0.00 H new ATOM 0 HA CYS A 33 1.689 0.235 3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.646 1.924 1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.089 3.186 3.106 1.00 0.00 H new ATOM 463 N SER A 34 3.482 1.566 4.886 1.00 0.00 N ATOM 464 CA SER A 34 4.417 1.984 5.925 1.00 0.00 C ATOM 465 C SER A 34 5.011 3.352 5.603 1.00 0.00 C ATOM 466 O SER A 34 5.319 4.134 6.501 1.00 0.00 O ATOM 467 CB SER A 34 5.536 0.953 6.079 1.00 0.00 C ATOM 468 OG SER A 34 6.023 0.923 7.409 1.00 0.00 O ATOM 0 H SER A 34 3.924 1.192 4.046 1.00 0.00 H new ATOM 0 HA SER A 34 3.869 2.057 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.166 -0.034 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.351 1.191 5.395 1.00 0.00 H new ATOM 0 HG SER A 34 6.978 1.144 7.413 1.00 0.00 H new ATOM 474 N ASN A 35 5.169 3.633 4.313 1.00 0.00 N ATOM 475 CA ASN A 35 5.727 4.905 3.871 1.00 0.00 C ATOM 476 C ASN A 35 4.636 5.965 3.750 1.00 0.00 C ATOM 477 O ASN A 35 4.523 6.854 4.594 1.00 0.00 O ATOM 478 CB ASN A 35 6.438 4.735 2.527 1.00 0.00 C ATOM 479 CG ASN A 35 6.892 6.058 1.941 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.411 6.919 2.652 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.698 6.225 0.638 1.00 0.00 N ATOM 0 H ASN A 35 4.918 2.997 3.556 1.00 0.00 H new ATOM 0 HA ASN A 35 6.449 5.235 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.302 4.083 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.767 4.241 1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.983 7.094 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.264 5.484 0.088 1.00 0.00 H new ATOM 488 N CYS A 36 3.834 5.864 2.695 1.00 0.00 N ATOM 489 CA CYS A 36 2.751 6.812 2.463 1.00 0.00 C ATOM 490 C CYS A 36 1.673 6.680 3.534 1.00 0.00 C ATOM 491 O CYS A 36 1.018 7.657 3.895 1.00 0.00 O ATOM 492 CB CYS A 36 2.140 6.590 1.078 1.00 0.00 C ATOM 493 SG CYS A 36 1.129 5.080 0.945 1.00 0.00 S ATOM 0 H CYS A 36 3.914 5.134 1.987 1.00 0.00 H new ATOM 0 HA CYS A 36 3.166 7.819 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.523 7.451 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.942 6.543 0.342 1.00 0.00 H new ATOM 498 N GLY A 37 1.495 5.463 4.040 1.00 0.00 N ATOM 499 CA GLY A 37 0.495 5.225 5.065 1.00 0.00 C ATOM 500 C GLY A 37 -0.917 5.264 4.518 1.00 0.00 C ATOM 501 O GLY A 37 -1.831 5.759 5.176 1.00 0.00 O ATOM 0 H GLY A 37 2.025 4.638 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.676 4.254 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.598 5.975 5.850 1.00 0.00 H new ATOM 505 N ASN A 38 -1.097 4.743 3.308 1.00 0.00 N ATOM 506 CA ASN A 38 -2.408 4.723 2.671 1.00 0.00 C ATOM 507 C ASN A 38 -3.018 3.326 2.726 1.00 0.00 C ATOM 508 O ASN A 38 -2.398 2.385 3.221 1.00 0.00 O ATOM 509 CB ASN A 38 -2.300 5.188 1.218 1.00 0.00 C ATOM 510 CG ASN A 38 -1.524 6.484 1.081 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.398 7.249 2.038 1.00 0.00 O ATOM 512 ND2 ASN A 38 -0.999 6.736 -0.112 1.00 0.00 N ATOM 0 H ASN A 38 -0.351 4.329 2.749 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.059 5.406 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.814 4.412 0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.301 5.322 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.466 7.592 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.129 6.073 -0.877 1.00 0.00 H new ATOM 519 N SER A 39 -4.238 3.198 2.213 1.00 0.00 N ATOM 520 CA SER A 39 -4.934 1.916 2.206 1.00 0.00 C ATOM 521 C SER A 39 -4.576 1.111 0.960 1.00 0.00 C ATOM 522 O SER A 39 -4.472 1.658 -0.138 1.00 0.00 O ATOM 523 CB SER A 39 -6.447 2.133 2.270 1.00 0.00 C ATOM 524 OG SER A 39 -6.865 3.096 1.317 1.00 0.00 O ATOM 0 H SER A 39 -4.765 3.966 1.797 1.00 0.00 H new ATOM 0 HA SER A 39 -4.618 1.353 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.961 1.189 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.729 2.461 3.271 1.00 0.00 H new ATOM 0 HG SER A 39 -7.404 2.659 0.625 1.00 0.00 H new ATOM 530 N PHE A 40 -4.390 -0.192 1.139 1.00 0.00 N ATOM 531 CA PHE A 40 -4.043 -1.074 0.031 1.00 0.00 C ATOM 532 C PHE A 40 -4.487 -2.506 0.316 1.00 0.00 C ATOM 533 O PHE A 40 -4.834 -2.847 1.447 1.00 0.00 O ATOM 534 CB PHE A 40 -2.535 -1.038 -0.225 1.00 0.00 C ATOM 535 CG PHE A 40 -2.029 0.316 -0.636 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.217 0.777 -1.929 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.366 1.127 0.271 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.753 2.022 -2.310 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.901 2.373 -0.105 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.094 2.821 -1.397 1.00 0.00 C ATOM 0 H PHE A 40 -4.474 -0.661 2.041 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.564 -0.720 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.013 -1.353 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.289 -1.761 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.732 0.156 -2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.211 0.782 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.906 2.370 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.387 2.996 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.730 3.794 -1.693 1.00 0.00 H new ATOM 550 N CYS A 41 -4.473 -3.340 -0.718 1.00 0.00 N ATOM 551 CA CYS A 41 -4.875 -4.735 -0.581 1.00 0.00 C ATOM 552 C CYS A 41 -3.714 -5.589 -0.077 1.00 0.00 C ATOM 553 O CYS A 41 -2.642 -5.073 0.238 1.00 0.00 O ATOM 554 CB CYS A 41 -5.376 -5.277 -1.921 1.00 0.00 C ATOM 555 SG CYS A 41 -4.133 -5.235 -3.252 1.00 0.00 S ATOM 0 H CYS A 41 -4.188 -3.074 -1.660 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.683 -4.784 0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.710 -6.305 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.246 -4.699 -2.232 1.00 0.00 H new ATOM 560 N SER A 42 -3.937 -6.897 -0.004 1.00 0.00 N ATOM 561 CA SER A 42 -2.912 -7.822 0.464 1.00 0.00 C ATOM 562 C SER A 42 -1.995 -8.242 -0.680 1.00 0.00 C ATOM 563 O SER A 42 -1.212 -9.183 -0.550 1.00 0.00 O ATOM 564 CB SER A 42 -3.559 -9.057 1.094 1.00 0.00 C ATOM 565 OG SER A 42 -4.411 -9.713 0.171 1.00 0.00 O ATOM 0 H SER A 42 -4.818 -7.340 -0.263 1.00 0.00 H new ATOM 0 HA SER A 42 -2.313 -7.310 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.784 -9.745 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.130 -8.763 1.975 1.00 0.00 H new ATOM 0 HG SER A 42 -4.811 -10.500 0.597 1.00 0.00 H new ATOM 571 N ARG A 43 -2.099 -7.538 -1.802 1.00 0.00 N ATOM 572 CA ARG A 43 -1.281 -7.837 -2.971 1.00 0.00 C ATOM 573 C ARG A 43 -0.435 -6.631 -3.366 1.00 0.00 C ATOM 574 O ARG A 43 0.617 -6.774 -3.992 1.00 0.00 O ATOM 575 CB ARG A 43 -2.166 -8.259 -4.145 1.00 0.00 C ATOM 576 CG ARG A 43 -2.639 -9.701 -4.065 1.00 0.00 C ATOM 577 CD ARG A 43 -3.536 -10.060 -5.238 1.00 0.00 C ATOM 578 NE ARG A 43 -4.841 -9.410 -5.149 1.00 0.00 N ATOM 579 CZ ARG A 43 -5.934 -9.871 -5.747 1.00 0.00 C ATOM 580 NH1 ARG A 43 -5.879 -10.978 -6.474 1.00 0.00 N ATOM 581 NH2 ARG A 43 -7.085 -9.223 -5.618 1.00 0.00 N ATOM 0 H ARG A 43 -2.742 -6.756 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.613 -8.659 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.035 -7.603 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.614 -8.118 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.777 -10.367 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.180 -9.856 -3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.049 -9.769 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.671 -11.141 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.917 -8.555 -4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.996 -11.478 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.720 -11.330 -6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.131 -8.371 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.924 -9.577 -6.077 1.00 0.00 H new ATOM 595 N CYS A 44 -0.900 -5.442 -2.998 1.00 0.00 N ATOM 596 CA CYS A 44 -0.188 -4.210 -3.314 1.00 0.00 C ATOM 597 C CYS A 44 0.760 -3.823 -2.181 1.00 0.00 C ATOM 598 O CYS A 44 1.865 -3.337 -2.422 1.00 0.00 O ATOM 599 CB CYS A 44 -1.180 -3.074 -3.573 1.00 0.00 C ATOM 600 SG CYS A 44 -2.049 -3.196 -5.170 1.00 0.00 S ATOM 0 H CYS A 44 -1.768 -5.306 -2.480 1.00 0.00 H new ATOM 0 HA CYS A 44 0.401 -4.382 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.917 -3.060 -2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.647 -2.124 -3.533 1.00 0.00 H new ATOM 605 N CYS A 45 0.318 -4.043 -0.948 1.00 0.00 N ATOM 606 CA CYS A 45 1.126 -3.718 0.222 1.00 0.00 C ATOM 607 C CYS A 45 1.945 -4.924 0.670 1.00 0.00 C ATOM 608 O CYS A 45 2.022 -5.227 1.860 1.00 0.00 O ATOM 609 CB CYS A 45 0.232 -3.239 1.368 1.00 0.00 C ATOM 610 SG CYS A 45 1.141 -2.617 2.802 1.00 0.00 S ATOM 0 H CYS A 45 -0.594 -4.445 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 45 1.813 -2.917 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.424 -2.452 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.407 -4.063 1.686 1.00 0.00 H new ATOM 0 HG CYS A 45 2.030 -3.493 3.165 1.00 0.00 H new ATOM 616 N SER A 46 2.555 -5.609 -0.292 1.00 0.00 N ATOM 617 CA SER A 46 3.364 -6.785 0.002 1.00 0.00 C ATOM 618 C SER A 46 4.785 -6.613 -0.525 1.00 0.00 C ATOM 619 O SER A 46 5.339 -7.514 -1.156 1.00 0.00 O ATOM 620 CB SER A 46 2.728 -8.034 -0.612 1.00 0.00 C ATOM 621 OG SER A 46 3.057 -9.193 0.134 1.00 0.00 O ATOM 0 H SER A 46 2.504 -5.369 -1.282 1.00 0.00 H new ATOM 0 HA SER A 46 3.409 -6.903 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.645 -7.915 -0.646 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.069 -8.151 -1.641 1.00 0.00 H new ATOM 0 HG SER A 46 2.637 -9.977 -0.278 1.00 0.00 H new ATOM 627 N PHE A 47 5.370 -5.449 -0.262 1.00 0.00 N ATOM 628 CA PHE A 47 6.727 -5.157 -0.710 1.00 0.00 C ATOM 629 C PHE A 47 7.605 -4.725 0.461 1.00 0.00 C ATOM 630 O PHE A 47 7.304 -3.752 1.153 1.00 0.00 O ATOM 631 CB PHE A 47 6.708 -4.062 -1.779 1.00 0.00 C ATOM 632 CG PHE A 47 6.180 -4.529 -3.105 1.00 0.00 C ATOM 633 CD1 PHE A 47 4.816 -4.581 -3.342 1.00 0.00 C ATOM 634 CD2 PHE A 47 7.047 -4.915 -4.114 1.00 0.00 C ATOM 635 CE1 PHE A 47 4.325 -5.009 -4.561 1.00 0.00 C ATOM 636 CE2 PHE A 47 6.562 -5.343 -5.336 1.00 0.00 C ATOM 637 CZ PHE A 47 5.200 -5.392 -5.559 1.00 0.00 C ATOM 0 H PHE A 47 4.926 -4.693 0.259 1.00 0.00 H new ATOM 0 HA PHE A 47 7.146 -6.067 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.097 -3.231 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.720 -3.679 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.128 -4.283 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.113 -4.881 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.259 -5.044 -4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.248 -5.639 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.820 -5.729 -6.512 1.00 0.00 H new ATOM 647 N LYS A 48 8.693 -5.457 0.678 1.00 0.00 N ATOM 648 CA LYS A 48 9.617 -5.151 1.764 1.00 0.00 C ATOM 649 C LYS A 48 10.656 -4.125 1.322 1.00 0.00 C ATOM 650 O LYS A 48 11.391 -4.347 0.360 1.00 0.00 O ATOM 651 CB LYS A 48 10.315 -6.427 2.240 1.00 0.00 C ATOM 652 CG LYS A 48 9.388 -7.400 2.947 1.00 0.00 C ATOM 653 CD LYS A 48 10.149 -8.592 3.503 1.00 0.00 C ATOM 654 CE LYS A 48 11.006 -8.200 4.696 1.00 0.00 C ATOM 655 NZ LYS A 48 11.666 -9.381 5.317 1.00 0.00 N ATOM 0 H LYS A 48 8.956 -6.266 0.116 1.00 0.00 H new ATOM 0 HA LYS A 48 9.043 -4.728 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.766 -6.926 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.127 -6.157 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.871 -6.887 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.624 -7.747 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.444 -9.369 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.781 -9.017 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.765 -7.485 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.386 -7.698 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.241 -9.072 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.941 -10.052 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.277 -9.846 4.616 1.00 0.00 H new ATOM 669 N VAL A 49 10.711 -3.003 2.032 1.00 0.00 N ATOM 670 CA VAL A 49 11.662 -1.944 1.714 1.00 0.00 C ATOM 671 C VAL A 49 12.280 -1.362 2.981 1.00 0.00 C ATOM 672 O VAL A 49 11.673 -1.358 4.052 1.00 0.00 O ATOM 673 CB VAL A 49 10.992 -0.810 0.915 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.420 -1.342 -0.390 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.910 -0.139 1.747 1.00 0.00 C ATOM 0 H VAL A 49 10.109 -2.804 2.831 1.00 0.00 H new ATOM 0 HA VAL A 49 12.446 -2.394 1.105 1.00 0.00 H new ATOM 0 HB VAL A 49 11.748 -0.063 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.951 -0.527 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.222 -1.771 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.677 -2.110 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.448 0.659 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.153 -0.874 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.353 0.279 2.651 1.00 0.00 H new ATOM 685 N PRO A 50 13.517 -0.858 2.858 1.00 0.00 N ATOM 686 CA PRO A 50 14.244 -0.263 3.983 1.00 0.00 C ATOM 687 C PRO A 50 13.641 1.066 4.425 1.00 0.00 C ATOM 688 O PRO A 50 13.501 1.992 3.627 1.00 0.00 O ATOM 689 CB PRO A 50 15.652 -0.051 3.422 1.00 0.00 C ATOM 690 CG PRO A 50 15.460 0.065 1.949 1.00 0.00 C ATOM 691 CD PRO A 50 14.300 -0.830 1.611 1.00 0.00 C ATOM 0 HA PRO A 50 14.214 -0.897 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.111 0.848 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.307 -0.886 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.254 1.096 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.358 -0.241 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.717 -0.435 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.632 -1.827 1.323 1.00 0.00 H new ATOM 699 N LYS A 51 13.286 1.153 5.703 1.00 0.00 N ATOM 700 CA LYS A 51 12.699 2.369 6.253 1.00 0.00 C ATOM 701 C LYS A 51 13.776 3.409 6.543 1.00 0.00 C ATOM 702 O LYS A 51 13.646 4.573 6.164 1.00 0.00 O ATOM 703 CB LYS A 51 11.923 2.051 7.533 1.00 0.00 C ATOM 704 CG LYS A 51 12.812 1.662 8.702 1.00 0.00 C ATOM 705 CD LYS A 51 12.015 0.996 9.811 1.00 0.00 C ATOM 706 CE LYS A 51 11.026 1.962 10.445 1.00 0.00 C ATOM 707 NZ LYS A 51 11.541 2.521 11.725 1.00 0.00 N ATOM 0 H LYS A 51 13.395 0.395 6.377 1.00 0.00 H new ATOM 0 HA LYS A 51 12.013 2.779 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.328 2.921 7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.225 1.239 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.593 0.985 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.310 2.549 9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.479 0.136 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.696 0.619 10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.817 2.776 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.082 1.448 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.961 2.172 12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.528 2.223 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.494 3.559 11.694 1.00 0.00 H new ATOM 721 N SER A 52 14.839 2.982 7.216 1.00 0.00 N ATOM 722 CA SER A 52 15.938 3.877 7.559 1.00 0.00 C ATOM 723 C SER A 52 16.255 4.817 6.400 1.00 0.00 C ATOM 724 O SER A 52 16.738 5.931 6.603 1.00 0.00 O ATOM 725 CB SER A 52 17.184 3.071 7.932 1.00 0.00 C ATOM 726 OG SER A 52 17.587 2.232 6.865 1.00 0.00 O ATOM 0 H SER A 52 14.963 2.021 7.535 1.00 0.00 H new ATOM 0 HA SER A 52 15.631 4.476 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.996 3.750 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.979 2.467 8.816 1.00 0.00 H new ATOM 0 HG SER A 52 18.526 1.979 6.984 1.00 0.00 H new ATOM 732 N SER A 53 15.980 4.359 5.183 1.00 0.00 N ATOM 733 CA SER A 53 16.238 5.155 3.989 1.00 0.00 C ATOM 734 C SER A 53 14.961 5.829 3.498 1.00 0.00 C ATOM 735 O SER A 53 14.595 5.713 2.329 1.00 0.00 O ATOM 736 CB SER A 53 16.824 4.277 2.881 1.00 0.00 C ATOM 737 OG SER A 53 15.939 3.223 2.545 1.00 0.00 O ATOM 0 H SER A 53 15.578 3.440 4.998 1.00 0.00 H new ATOM 0 HA SER A 53 16.960 5.930 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 53 17.023 4.884 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 53 17.779 3.865 3.206 1.00 0.00 H new ATOM 0 HG SER A 53 15.149 3.263 3.123 1.00 0.00 H new ATOM 743 N MET A 54 14.286 6.534 4.401 1.00 0.00 N ATOM 744 CA MET A 54 13.050 7.228 4.060 1.00 0.00 C ATOM 745 C MET A 54 13.275 8.734 3.984 1.00 0.00 C ATOM 746 O MET A 54 12.947 9.371 2.984 1.00 0.00 O ATOM 747 CB MET A 54 11.963 6.914 5.090 1.00 0.00 C ATOM 748 CG MET A 54 11.116 5.704 4.730 1.00 0.00 C ATOM 749 SD MET A 54 9.541 5.673 5.607 1.00 0.00 S ATOM 750 CE MET A 54 9.064 3.961 5.387 1.00 0.00 C ATOM 0 H MET A 54 14.574 6.639 5.374 1.00 0.00 H new ATOM 0 HA MET A 54 12.724 6.878 3.081 1.00 0.00 H new ATOM 0 HB2 MET A 54 12.431 6.744 6.060 1.00 0.00 H new ATOM 0 HB3 MET A 54 11.314 7.783 5.197 1.00 0.00 H new ATOM 0 HG2 MET A 54 10.930 5.702 3.656 1.00 0.00 H new ATOM 0 HG3 MET A 54 11.672 4.795 4.958 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.066 3.806 5.798 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.061 3.718 4.324 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.774 3.316 5.905 1.00 0.00 H new ATOM 760 N GLY A 55 13.837 9.299 5.049 1.00 0.00 N ATOM 761 CA GLY A 55 14.095 10.726 5.082 1.00 0.00 C ATOM 762 C GLY A 55 14.514 11.208 6.457 1.00 0.00 C ATOM 763 O GLY A 55 15.349 12.103 6.581 1.00 0.00 O ATOM 0 H GLY A 55 14.118 8.793 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.877 10.967 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.198 11.262 4.770 1.00 0.00 H new ATOM 767 N ALA A 56 13.930 10.615 7.493 1.00 0.00 N ATOM 768 CA ALA A 56 14.247 10.988 8.865 1.00 0.00 C ATOM 769 C ALA A 56 15.187 9.973 9.508 1.00 0.00 C ATOM 770 O ALA A 56 14.763 8.893 9.919 1.00 0.00 O ATOM 771 CB ALA A 56 12.972 11.122 9.684 1.00 0.00 C ATOM 0 H ALA A 56 13.234 9.874 7.408 1.00 0.00 H new ATOM 0 HA ALA A 56 14.755 11.952 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.224 11.401 10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.336 11.891 9.244 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.441 10.170 9.688 1.00 0.00 H new ATOM 777 N THR A 57 16.466 10.326 9.590 1.00 0.00 N ATOM 778 CA THR A 57 17.465 9.445 10.181 1.00 0.00 C ATOM 779 C THR A 57 17.371 9.448 11.702 1.00 0.00 C ATOM 780 O THR A 57 17.502 10.492 12.339 1.00 0.00 O ATOM 781 CB THR A 57 18.891 9.855 9.765 1.00 0.00 C ATOM 782 OG1 THR A 57 19.136 11.217 10.135 1.00 0.00 O ATOM 783 CG2 THR A 57 19.087 9.689 8.266 1.00 0.00 C ATOM 0 H THR A 57 16.834 11.216 9.254 1.00 0.00 H new ATOM 0 HA THR A 57 17.260 8.441 9.810 1.00 0.00 H new ATOM 0 HB THR A 57 19.597 9.205 10.281 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.625 11.434 10.943 1.00 0.00 H new ATOM 0 HG21 THR A 57 20.101 9.985 7.997 1.00 0.00 H new ATOM 0 HG22 THR A 57 18.928 8.646 7.992 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.373 10.317 7.734 1.00 0.00 H new ATOM 791 N ALA A 58 17.144 8.272 12.278 1.00 0.00 N ATOM 792 CA ALA A 58 17.035 8.139 13.726 1.00 0.00 C ATOM 793 C ALA A 58 17.798 6.916 14.224 1.00 0.00 C ATOM 794 O ALA A 58 18.049 5.967 13.481 1.00 0.00 O ATOM 795 CB ALA A 58 15.573 8.056 14.139 1.00 0.00 C ATOM 0 H ALA A 58 17.032 7.398 11.764 1.00 0.00 H new ATOM 0 HA ALA A 58 17.481 9.023 14.182 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.506 7.957 15.222 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.054 8.962 13.825 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.110 7.190 13.666 1.00 0.00 H new ATOM 801 N PRO A 59 18.176 6.938 15.510 1.00 0.00 N ATOM 802 CA PRO A 59 18.917 5.838 16.136 1.00 0.00 C ATOM 803 C PRO A 59 18.062 4.587 16.307 1.00 0.00 C ATOM 804 O PRO A 59 18.530 3.570 16.817 1.00 0.00 O ATOM 805 CB PRO A 59 19.311 6.407 17.501 1.00 0.00 C ATOM 806 CG PRO A 59 18.287 7.451 17.786 1.00 0.00 C ATOM 807 CD PRO A 59 17.911 8.037 16.453 1.00 0.00 C ATOM 0 HA PRO A 59 19.766 5.522 15.530 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.311 5.632 18.268 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.314 6.832 17.478 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.417 7.020 18.282 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.686 8.217 18.451 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.865 8.343 16.429 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.507 8.919 16.219 1.00 0.00 H new ATOM 815 N GLU A 60 16.807 4.670 15.876 1.00 0.00 N ATOM 816 CA GLU A 60 15.887 3.543 15.983 1.00 0.00 C ATOM 817 C GLU A 60 15.828 2.763 14.672 1.00 0.00 C ATOM 818 O GLU A 60 15.889 1.534 14.666 1.00 0.00 O ATOM 819 CB GLU A 60 14.488 4.033 16.361 1.00 0.00 C ATOM 820 CG GLU A 60 13.435 2.937 16.346 1.00 0.00 C ATOM 821 CD GLU A 60 12.201 3.303 17.147 1.00 0.00 C ATOM 822 OE1 GLU A 60 12.340 3.596 18.353 1.00 0.00 O ATOM 823 OE2 GLU A 60 11.094 3.296 16.567 1.00 0.00 O ATOM 0 H GLU A 60 16.404 5.505 15.450 1.00 0.00 H new ATOM 0 HA GLU A 60 16.255 2.879 16.765 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.524 4.477 17.356 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.189 4.822 15.670 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.146 2.730 15.316 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.865 2.019 16.747 1.00 0.00 H new ATOM 830 N ALA A 61 15.709 3.487 13.564 1.00 0.00 N ATOM 831 CA ALA A 61 15.643 2.865 12.248 1.00 0.00 C ATOM 832 C ALA A 61 17.039 2.578 11.706 1.00 0.00 C ATOM 833 O ALA A 61 17.765 3.495 11.323 1.00 0.00 O ATOM 834 CB ALA A 61 14.871 3.752 11.282 1.00 0.00 C ATOM 0 H ALA A 61 15.656 4.506 13.552 1.00 0.00 H new ATOM 0 HA ALA A 61 15.118 1.915 12.349 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.830 3.274 10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.858 3.901 11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.371 4.716 11.194 1.00 0.00 H new ATOM 840 N GLN A 62 17.407 1.301 11.677 1.00 0.00 N ATOM 841 CA GLN A 62 18.717 0.896 11.183 1.00 0.00 C ATOM 842 C GLN A 62 18.601 -0.315 10.262 1.00 0.00 C ATOM 843 O GLN A 62 18.389 -1.437 10.721 1.00 0.00 O ATOM 844 CB GLN A 62 19.650 0.574 12.352 1.00 0.00 C ATOM 845 CG GLN A 62 19.923 1.765 13.257 1.00 0.00 C ATOM 846 CD GLN A 62 21.131 2.567 12.817 1.00 0.00 C ATOM 847 OE1 GLN A 62 22.273 2.137 12.987 1.00 0.00 O ATOM 848 NE2 GLN A 62 20.887 3.742 12.248 1.00 0.00 N ATOM 0 H GLN A 62 16.817 0.530 11.990 1.00 0.00 H new ATOM 0 HA GLN A 62 19.134 1.726 10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.213 -0.230 12.945 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.596 0.202 11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.047 2.413 13.272 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.077 1.414 14.277 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.925 4.060 12.127 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.661 4.326 11.932 1.00 0.00 H new ATOM 857 N ARG A 63 18.741 -0.078 8.962 1.00 0.00 N ATOM 858 CA ARG A 63 18.650 -1.149 7.977 1.00 0.00 C ATOM 859 C ARG A 63 17.447 -2.045 8.257 1.00 0.00 C ATOM 860 O ARG A 63 17.505 -3.258 8.058 1.00 0.00 O ATOM 861 CB ARG A 63 19.933 -1.983 7.979 1.00 0.00 C ATOM 862 CG ARG A 63 21.184 -1.177 7.675 1.00 0.00 C ATOM 863 CD ARG A 63 22.441 -2.018 7.835 1.00 0.00 C ATOM 864 NE ARG A 63 22.688 -2.861 6.668 1.00 0.00 N ATOM 865 CZ ARG A 63 23.790 -3.584 6.504 1.00 0.00 C ATOM 866 NH1 ARG A 63 24.742 -3.568 7.427 1.00 0.00 N ATOM 867 NH2 ARG A 63 23.941 -4.327 5.414 1.00 0.00 N ATOM 0 H ARG A 63 18.918 0.845 8.566 1.00 0.00 H new ATOM 0 HA ARG A 63 18.522 -0.695 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 63 20.045 -2.459 8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.838 -2.782 7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 63 21.131 -0.790 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.234 -0.316 8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 63 23.297 -1.363 7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 63 22.347 -2.645 8.722 1.00 0.00 H new ATOM 0 HE ARG A 63 21.975 -2.896 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 63 24.629 -2.999 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 63 25.587 -4.124 7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 63 23.211 -4.343 4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 63 24.787 -4.882 5.288 1.00 0.00 H new ATOM 881 N GLU A 64 16.359 -1.438 8.721 1.00 0.00 N ATOM 882 CA GLU A 64 15.144 -2.182 9.030 1.00 0.00 C ATOM 883 C GLU A 64 14.363 -2.501 7.758 1.00 0.00 C ATOM 884 O GLU A 64 14.703 -2.031 6.672 1.00 0.00 O ATOM 885 CB GLU A 64 14.264 -1.386 9.996 1.00 0.00 C ATOM 886 CG GLU A 64 13.315 -2.251 10.809 1.00 0.00 C ATOM 887 CD GLU A 64 13.928 -3.581 11.200 1.00 0.00 C ATOM 888 OE1 GLU A 64 15.059 -3.579 11.732 1.00 0.00 O ATOM 889 OE2 GLU A 64 13.279 -4.624 10.975 1.00 0.00 O ATOM 0 H GLU A 64 16.294 -0.434 8.891 1.00 0.00 H new ATOM 0 HA GLU A 64 15.433 -3.120 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.903 -0.824 10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.683 -0.658 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.020 -1.713 11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.407 -2.429 10.232 1.00 0.00 H new ATOM 896 N THR A 65 13.312 -3.303 7.901 1.00 0.00 N ATOM 897 CA THR A 65 12.484 -3.686 6.765 1.00 0.00 C ATOM 898 C THR A 65 11.008 -3.433 7.051 1.00 0.00 C ATOM 899 O THR A 65 10.491 -3.827 8.097 1.00 0.00 O ATOM 900 CB THR A 65 12.677 -5.171 6.404 1.00 0.00 C ATOM 901 OG1 THR A 65 12.390 -5.994 7.541 1.00 0.00 O ATOM 902 CG2 THR A 65 14.099 -5.432 5.930 1.00 0.00 C ATOM 0 H THR A 65 13.015 -3.699 8.793 1.00 0.00 H new ATOM 0 HA THR A 65 12.800 -3.071 5.922 1.00 0.00 H new ATOM 0 HB THR A 65 11.989 -5.417 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.640 -5.610 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.212 -6.487 5.681 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.305 -4.827 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.800 -5.169 6.722 1.00 0.00 H new ATOM 910 N VAL A 66 10.333 -2.774 6.115 1.00 0.00 N ATOM 911 CA VAL A 66 8.915 -2.470 6.266 1.00 0.00 C ATOM 912 C VAL A 66 8.140 -2.821 5.001 1.00 0.00 C ATOM 913 O VAL A 66 8.713 -2.916 3.915 1.00 0.00 O ATOM 914 CB VAL A 66 8.692 -0.982 6.595 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.201 -0.662 7.992 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.370 -0.099 5.557 1.00 0.00 C ATOM 0 H VAL A 66 10.745 -2.440 5.244 1.00 0.00 H new ATOM 0 HA VAL A 66 8.548 -3.077 7.094 1.00 0.00 H new ATOM 0 HB VAL A 66 7.621 -0.779 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.035 0.394 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.666 -1.269 8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.267 -0.881 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.202 0.949 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.441 -0.303 5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.953 -0.310 4.572 1.00 0.00 H new ATOM 926 N PHE A 67 6.833 -3.011 5.147 1.00 0.00 N ATOM 927 CA PHE A 67 5.978 -3.352 4.016 1.00 0.00 C ATOM 928 C PHE A 67 5.265 -2.114 3.481 1.00 0.00 C ATOM 929 O PHE A 67 4.564 -1.420 4.219 1.00 0.00 O ATOM 930 CB PHE A 67 4.951 -4.409 4.427 1.00 0.00 C ATOM 931 CG PHE A 67 5.548 -5.768 4.656 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.972 -6.542 3.587 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.687 -6.271 5.939 1.00 0.00 C ATOM 934 CE1 PHE A 67 6.521 -7.793 3.795 1.00 0.00 C ATOM 935 CE2 PHE A 67 6.236 -7.522 6.153 1.00 0.00 C ATOM 936 CZ PHE A 67 6.654 -8.283 5.080 1.00 0.00 C ATOM 0 H PHE A 67 6.342 -2.935 6.038 1.00 0.00 H new ATOM 0 HA PHE A 67 6.608 -3.757 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.451 -4.083 5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.187 -4.482 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.872 -6.163 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.363 -5.679 6.782 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.846 -8.387 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.338 -7.903 7.158 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.084 -9.260 5.245 1.00 0.00 H new ATOM 946 N VAL A 68 5.448 -1.843 2.193 1.00 0.00 N ATOM 947 CA VAL A 68 4.822 -0.689 1.558 1.00 0.00 C ATOM 948 C VAL A 68 3.989 -1.111 0.353 1.00 0.00 C ATOM 949 O VAL A 68 3.922 -2.292 0.013 1.00 0.00 O ATOM 950 CB VAL A 68 5.873 0.342 1.106 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.574 0.953 2.310 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.879 -0.302 0.163 1.00 0.00 C ATOM 0 H VAL A 68 6.025 -2.407 1.568 1.00 0.00 H new ATOM 0 HA VAL A 68 4.172 -0.231 2.304 1.00 0.00 H new ATOM 0 HB VAL A 68 5.364 1.142 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.313 1.679 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.840 1.451 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.072 0.167 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.614 0.441 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.384 -1.122 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.360 -0.687 -0.715 1.00 0.00 H new ATOM 962 N CYS A 69 3.354 -0.136 -0.290 1.00 0.00 N ATOM 963 CA CYS A 69 2.524 -0.404 -1.458 1.00 0.00 C ATOM 964 C CYS A 69 3.333 -0.264 -2.745 1.00 0.00 C ATOM 965 O CYS A 69 4.293 0.504 -2.805 1.00 0.00 O ATOM 966 CB CYS A 69 1.327 0.548 -1.489 1.00 0.00 C ATOM 967 SG CYS A 69 1.764 2.280 -1.845 1.00 0.00 S ATOM 0 H CYS A 69 3.399 0.847 -0.021 1.00 0.00 H new ATOM 0 HA CYS A 69 2.162 -1.430 -1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.620 0.201 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.816 0.504 -0.527 1.00 0.00 H new ATOM 972 N ALA A 70 2.937 -1.010 -3.770 1.00 0.00 N ATOM 973 CA ALA A 70 3.624 -0.968 -5.056 1.00 0.00 C ATOM 974 C ALA A 70 3.933 0.468 -5.465 1.00 0.00 C ATOM 975 O ALA A 70 5.060 0.786 -5.847 1.00 0.00 O ATOM 976 CB ALA A 70 2.786 -1.654 -6.124 1.00 0.00 C ATOM 0 H ALA A 70 2.144 -1.651 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 70 4.569 -1.501 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.311 -1.615 -7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.619 -2.694 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.827 -1.145 -6.216 1.00 0.00 H new ATOM 982 N SER A 71 2.927 1.333 -5.383 1.00 0.00 N ATOM 983 CA SER A 71 3.091 2.734 -5.749 1.00 0.00 C ATOM 984 C SER A 71 4.334 3.326 -5.092 1.00 0.00 C ATOM 985 O SER A 71 5.088 4.070 -5.719 1.00 0.00 O ATOM 986 CB SER A 71 1.854 3.538 -5.343 1.00 0.00 C ATOM 987 OG SER A 71 0.883 3.535 -6.375 1.00 0.00 O ATOM 0 H SER A 71 1.989 1.087 -5.066 1.00 0.00 H new ATOM 0 HA SER A 71 3.212 2.789 -6.831 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.425 3.117 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.142 4.564 -5.113 1.00 0.00 H new ATOM 0 HG SER A 71 0.102 4.054 -6.091 1.00 0.00 H new ATOM 993 N CYS A 72 4.541 2.989 -3.823 1.00 0.00 N ATOM 994 CA CYS A 72 5.691 3.486 -3.078 1.00 0.00 C ATOM 995 C CYS A 72 6.936 2.658 -3.383 1.00 0.00 C ATOM 996 O CYS A 72 7.909 3.163 -3.942 1.00 0.00 O ATOM 997 CB CYS A 72 5.403 3.458 -1.575 1.00 0.00 C ATOM 998 SG CYS A 72 4.216 4.724 -1.023 1.00 0.00 S ATOM 0 H CYS A 72 3.927 2.374 -3.289 1.00 0.00 H new ATOM 0 HA CYS A 72 5.875 4.515 -3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.019 2.474 -1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.339 3.592 -1.034 1.00 0.00 H new ATOM 1003 N ASN A 73 6.897 1.382 -3.012 1.00 0.00 N ATOM 1004 CA ASN A 73 8.022 0.483 -3.246 1.00 0.00 C ATOM 1005 C ASN A 73 8.685 0.779 -4.588 1.00 0.00 C ATOM 1006 O ASN A 73 9.909 0.733 -4.710 1.00 0.00 O ATOM 1007 CB ASN A 73 7.555 -0.973 -3.206 1.00 0.00 C ATOM 1008 CG ASN A 73 8.673 -1.948 -3.519 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.375 -2.415 -2.622 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.845 -2.260 -4.799 1.00 0.00 N ATOM 0 H ASN A 73 6.099 0.947 -2.548 1.00 0.00 H new ATOM 0 HA ASN A 73 8.755 0.645 -2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.149 -1.194 -2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.745 -1.112 -3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.582 -2.910 -5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.240 -1.849 -5.510 1.00 0.00 H new ATOM 1017 N GLN A 74 7.868 1.084 -5.591 1.00 0.00 N ATOM 1018 CA GLN A 74 8.375 1.387 -6.924 1.00 0.00 C ATOM 1019 C GLN A 74 9.138 2.708 -6.928 1.00 0.00 C ATOM 1020 O GLN A 74 10.208 2.819 -7.528 1.00 0.00 O ATOM 1021 CB GLN A 74 7.225 1.445 -7.930 1.00 0.00 C ATOM 1022 CG GLN A 74 6.736 0.077 -8.376 1.00 0.00 C ATOM 1023 CD GLN A 74 7.548 -0.486 -9.526 1.00 0.00 C ATOM 1024 OE1 GLN A 74 7.159 -0.373 -10.689 1.00 0.00 O ATOM 1025 NE2 GLN A 74 8.683 -1.098 -9.207 1.00 0.00 N ATOM 0 H GLN A 74 6.853 1.128 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 74 9.061 0.591 -7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.393 1.992 -7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.547 2.009 -8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.780 -0.613 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.690 0.149 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.967 -1.169 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.270 -1.497 -9.939 1.00 0.00 H new ATOM 1034 N THR A 75 8.580 3.710 -6.256 1.00 0.00 N ATOM 1035 CA THR A 75 9.206 5.024 -6.183 1.00 0.00 C ATOM 1036 C THR A 75 10.476 4.983 -5.342 1.00 0.00 C ATOM 1037 O THR A 75 11.472 5.630 -5.670 1.00 0.00 O ATOM 1038 CB THR A 75 8.245 6.072 -5.590 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.083 6.196 -6.417 1.00 0.00 O ATOM 1040 CG2 THR A 75 8.930 7.424 -5.463 1.00 0.00 C ATOM 0 H THR A 75 7.695 3.636 -5.754 1.00 0.00 H new ATOM 0 HA THR A 75 9.459 5.310 -7.204 1.00 0.00 H new ATOM 0 HB THR A 75 7.948 5.738 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.438 5.496 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.232 8.148 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.797 7.333 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.253 7.762 -6.448 1.00 0.00 H new ATOM 1048 N LEU A 76 10.437 4.217 -4.258 1.00 0.00 N ATOM 1049 CA LEU A 76 11.587 4.090 -3.369 1.00 0.00 C ATOM 1050 C LEU A 76 12.768 3.452 -4.094 1.00 0.00 C ATOM 1051 O LEU A 76 13.854 4.027 -4.158 1.00 0.00 O ATOM 1052 CB LEU A 76 11.218 3.256 -2.141 1.00 0.00 C ATOM 1053 CG LEU A 76 10.110 3.823 -1.253 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.700 2.809 -0.197 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.561 5.122 -0.601 1.00 0.00 C ATOM 0 H LEU A 76 9.622 3.674 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 76 11.878 5.090 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.915 2.265 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.113 3.126 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 76 9.243 4.036 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.911 3.231 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.335 1.905 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.561 2.564 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.760 5.511 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.443 4.935 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.803 5.852 -1.373 1.00 0.00 H new ATOM 1067 N SER A 77 12.546 2.261 -4.641 1.00 0.00 N ATOM 1068 CA SER A 77 13.592 1.544 -5.361 1.00 0.00 C ATOM 1069 C SER A 77 13.351 1.599 -6.867 1.00 0.00 C ATOM 1070 O SER A 77 13.440 0.585 -7.559 1.00 0.00 O ATOM 1071 CB SER A 77 13.655 0.088 -4.896 1.00 0.00 C ATOM 1072 OG SER A 77 13.955 0.007 -3.513 1.00 0.00 O ATOM 0 H SER A 77 11.652 1.772 -4.599 1.00 0.00 H new ATOM 0 HA SER A 77 14.544 2.028 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.702 -0.402 -5.094 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.413 -0.447 -5.468 1.00 0.00 H new ATOM 0 HG SER A 77 13.988 -0.934 -3.240 1.00 0.00 H new ATOM 1078 N LYS A 78 13.046 2.791 -7.367 1.00 0.00 N ATOM 1079 CA LYS A 78 12.792 2.981 -8.791 1.00 0.00 C ATOM 1080 C LYS A 78 14.068 2.778 -9.602 1.00 0.00 C ATOM 1081 O LYS A 78 14.054 2.121 -10.643 1.00 0.00 O ATOM 1082 CB LYS A 78 12.230 4.382 -9.047 1.00 0.00 C ATOM 1083 CG LYS A 78 13.118 5.498 -8.525 1.00 0.00 C ATOM 1084 CD LYS A 78 12.607 6.863 -8.954 1.00 0.00 C ATOM 1085 CE LYS A 78 13.741 7.869 -9.079 1.00 0.00 C ATOM 1086 NZ LYS A 78 14.012 8.563 -7.790 1.00 0.00 N ATOM 0 H LYS A 78 12.969 3.641 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 78 12.059 2.239 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.085 4.516 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.248 4.462 -8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.162 5.450 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.135 5.357 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.090 6.775 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.877 7.224 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.644 7.358 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.490 8.606 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.791 9.240 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.158 9.071 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.276 7.863 -7.068 1.00 0.00 H new ATOM 1100 N SER A 79 15.168 3.345 -9.119 1.00 0.00 N ATOM 1101 CA SER A 79 16.452 3.227 -9.801 1.00 0.00 C ATOM 1102 C SER A 79 17.607 3.402 -8.820 1.00 0.00 C ATOM 1103 O SER A 79 17.501 4.147 -7.846 1.00 0.00 O ATOM 1104 CB SER A 79 16.556 4.266 -10.919 1.00 0.00 C ATOM 1105 OG SER A 79 15.697 3.941 -11.999 1.00 0.00 O ATOM 0 H SER A 79 15.197 3.891 -8.258 1.00 0.00 H new ATOM 0 HA SER A 79 16.515 2.229 -10.234 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.299 5.251 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.585 4.322 -11.273 1.00 0.00 H new ATOM 0 HG SER A 79 15.124 3.187 -11.746 1.00 0.00 H new ATOM 1111 N GLY A 80 18.710 2.709 -9.084 1.00 0.00 N ATOM 1112 CA GLY A 80 19.869 2.800 -8.216 1.00 0.00 C ATOM 1113 C GLY A 80 20.375 4.222 -8.071 1.00 0.00 C ATOM 1114 O GLY A 80 20.300 5.028 -8.999 1.00 0.00 O ATOM 0 H GLY A 80 18.822 2.086 -9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.614 2.406 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.667 2.173 -8.613 1.00 0.00 H new ATOM 1118 N PRO A 81 20.902 4.549 -6.882 1.00 0.00 N ATOM 1119 CA PRO A 81 21.431 5.885 -6.591 1.00 0.00 C ATOM 1120 C PRO A 81 22.719 6.177 -7.353 1.00 0.00 C ATOM 1121 O PRO A 81 23.002 7.325 -7.694 1.00 0.00 O ATOM 1122 CB PRO A 81 21.699 5.839 -5.084 1.00 0.00 C ATOM 1123 CG PRO A 81 21.910 4.396 -4.781 1.00 0.00 C ATOM 1124 CD PRO A 81 21.024 3.639 -5.731 1.00 0.00 C ATOM 0 HA PRO A 81 20.739 6.672 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 81 22.575 6.431 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 81 20.859 6.243 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 81 22.955 4.118 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 81 21.652 4.173 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 81 21.465 2.685 -6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 81 20.053 3.420 -5.287 1.00 0.00 H new ATOM 1132 N SER A 82 23.496 5.131 -7.617 1.00 0.00 N ATOM 1133 CA SER A 82 24.756 5.277 -8.336 1.00 0.00 C ATOM 1134 C SER A 82 25.644 6.322 -7.668 1.00 0.00 C ATOM 1135 O SER A 82 26.236 7.169 -8.338 1.00 0.00 O ATOM 1136 CB SER A 82 24.495 5.668 -9.791 1.00 0.00 C ATOM 1137 OG SER A 82 23.860 4.615 -10.496 1.00 0.00 O ATOM 0 H SER A 82 23.275 4.174 -7.344 1.00 0.00 H new ATOM 0 HA SER A 82 25.273 4.318 -8.313 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.871 6.561 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 82 25.437 5.920 -10.278 1.00 0.00 H new ATOM 0 HG SER A 82 23.702 4.890 -11.423 1.00 0.00 H new ATOM 1143 N SER A 83 25.733 6.256 -6.343 1.00 0.00 N ATOM 1144 CA SER A 83 26.545 7.198 -5.583 1.00 0.00 C ATOM 1145 C SER A 83 27.927 7.353 -6.211 1.00 0.00 C ATOM 1146 O SER A 83 28.433 8.464 -6.360 1.00 0.00 O ATOM 1147 CB SER A 83 26.680 6.733 -4.132 1.00 0.00 C ATOM 1148 OG SER A 83 25.566 7.144 -3.359 1.00 0.00 O ATOM 0 H SER A 83 25.252 5.559 -5.774 1.00 0.00 H new ATOM 0 HA SER A 83 26.046 8.167 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.767 5.647 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 83 27.595 7.138 -3.701 1.00 0.00 H new ATOM 0 HG SER A 83 25.676 6.833 -2.436 1.00 0.00 H new ATOM 1154 N GLY A 84 28.534 6.227 -6.576 1.00 0.00 N ATOM 1155 CA GLY A 84 29.852 6.258 -7.183 1.00 0.00 C ATOM 1156 C GLY A 84 30.048 5.150 -8.199 1.00 0.00 C ATOM 1157 O GLY A 84 31.186 4.885 -8.583 1.00 0.00 O ATOM 0 H GLY A 84 28.136 5.295 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 84 30.003 7.222 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 84 30.610 6.171 -6.404 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.291 -3.304 -4.554 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.530 3.488 -0.012 1.00 0.00 ZN