USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 388 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 15 ASN : amide:sc= 0.104 X(o=0.43,f=-0.044) USER MOD Set 1.2: A 26 TYR OH : rot -168:sc= 0.129 USER MOD Set 1.3: A 52 ASN : amide:sc= 0.194 K(o=0.43,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -21:sc= -0.477! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0.228 (180deg=0.00713) USER MOD Single : A 46 THR OG1 : rot 87:sc= 0.214 USER MOD Single : A 50 GLN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 4.787 4.259 12.335 1.00 0.00 N ATOM 2 CA ASP A 11 5.747 4.326 11.198 1.00 0.00 C ATOM 3 C ASP A 11 4.976 4.303 9.876 1.00 0.00 C ATOM 4 O ASP A 11 4.274 5.236 9.542 1.00 0.00 O ATOM 5 CB ASP A 11 6.696 3.129 11.264 1.00 0.00 C ATOM 6 CG ASP A 11 7.604 3.266 12.487 1.00 0.00 C ATOM 7 OD1 ASP A 11 8.068 4.368 12.733 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.821 2.269 13.156 1.00 0.00 O ATOM 0 HA ASP A 11 6.324 5.248 11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.126 2.202 11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.296 3.077 10.356 1.00 0.00 H new ATOM 13 N LEU A 12 5.102 3.246 9.118 1.00 0.00 N ATOM 14 CA LEU A 12 4.377 3.168 7.820 1.00 0.00 C ATOM 15 C LEU A 12 2.935 2.714 8.088 1.00 0.00 C ATOM 16 O LEU A 12 2.686 1.976 9.020 1.00 0.00 O ATOM 17 CB LEU A 12 5.076 2.139 6.926 1.00 0.00 C ATOM 18 CG LEU A 12 6.557 2.503 6.758 1.00 0.00 C ATOM 19 CD1 LEU A 12 7.288 1.337 6.086 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.698 3.765 5.892 1.00 0.00 C ATOM 0 H LEU A 12 5.676 2.434 9.343 1.00 0.00 H new ATOM 0 HA LEU A 12 4.373 4.141 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.986 1.145 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.590 2.103 5.951 1.00 0.00 H new ATOM 0 HG LEU A 12 6.992 2.698 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.341 1.590 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.198 0.445 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.845 1.145 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.753 4.013 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.262 3.583 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.179 4.595 6.371 1.00 0.00 H new ATOM 32 N PRO A 13 1.983 3.141 7.286 1.00 0.00 N ATOM 33 CA PRO A 13 0.556 2.744 7.479 1.00 0.00 C ATOM 34 C PRO A 13 0.374 1.224 7.356 1.00 0.00 C ATOM 35 O PRO A 13 1.219 0.534 6.821 1.00 0.00 O ATOM 36 CB PRO A 13 -0.200 3.493 6.361 1.00 0.00 C ATOM 37 CG PRO A 13 0.843 3.847 5.346 1.00 0.00 C ATOM 38 CD PRO A 13 2.145 4.034 6.124 1.00 0.00 C ATOM 0 HA PRO A 13 0.187 2.998 8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.977 2.866 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.691 4.386 6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.944 3.059 4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.574 4.758 4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.013 3.760 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.284 5.071 6.431 1.00 0.00 H new ATOM 46 N PRO A 14 -0.721 0.709 7.849 1.00 0.00 N ATOM 47 CA PRO A 14 -1.016 -0.753 7.797 1.00 0.00 C ATOM 48 C PRO A 14 -1.220 -1.240 6.356 1.00 0.00 C ATOM 49 O PRO A 14 -1.284 -0.456 5.429 1.00 0.00 O ATOM 50 CB PRO A 14 -2.307 -0.898 8.620 1.00 0.00 C ATOM 51 CG PRO A 14 -2.947 0.450 8.560 1.00 0.00 C ATOM 52 CD PRO A 14 -1.801 1.458 8.508 1.00 0.00 C ATOM 0 HA PRO A 14 -0.195 -1.355 8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.959 -1.665 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.091 -1.189 9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.586 0.540 7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.578 0.621 9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.075 2.349 7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.511 1.789 9.505 1.00 0.00 H new ATOM 60 N ASN A 15 -1.324 -2.524 6.164 1.00 0.00 N ATOM 61 CA ASN A 15 -1.527 -3.055 4.788 1.00 0.00 C ATOM 62 C ASN A 15 -0.478 -2.467 3.840 1.00 0.00 C ATOM 63 O ASN A 15 -0.617 -2.537 2.634 1.00 0.00 O ATOM 64 CB ASN A 15 -2.924 -2.670 4.298 1.00 0.00 C ATOM 65 CG ASN A 15 -3.949 -2.974 5.392 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.862 -3.986 6.058 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.927 -2.135 5.608 1.00 0.00 N ATOM 0 H ASN A 15 -1.277 -3.229 6.900 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.427 -4.140 4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.952 -1.611 4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.169 -3.224 3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.615 -2.330 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.002 -1.285 5.050 1.00 0.00 H new ATOM 74 N LEU A 16 0.575 -1.890 4.370 1.00 0.00 N ATOM 75 CA LEU A 16 1.637 -1.299 3.493 1.00 0.00 C ATOM 76 C LEU A 16 3.021 -1.635 4.048 1.00 0.00 C ATOM 77 O LEU A 16 3.279 -1.509 5.227 1.00 0.00 O ATOM 78 CB LEU A 16 1.468 0.227 3.423 1.00 0.00 C ATOM 79 CG LEU A 16 2.534 0.842 2.467 1.00 0.00 C ATOM 80 CD1 LEU A 16 1.906 1.954 1.615 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.702 1.434 3.277 1.00 0.00 C ATOM 0 H LEU A 16 0.745 -1.803 5.372 1.00 0.00 H new ATOM 0 HA LEU A 16 1.541 -1.719 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.467 0.474 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.570 0.658 4.419 1.00 0.00 H new ATOM 0 HG LEU A 16 2.905 0.049 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.662 2.375 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.091 1.541 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.519 2.737 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.438 1.860 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.327 2.214 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.169 0.648 3.870 1.00 0.00 H new ATOM 93 N TYR A 17 3.913 -2.065 3.190 1.00 0.00 N ATOM 94 CA TYR A 17 5.297 -2.421 3.629 1.00 0.00 C ATOM 95 C TYR A 17 6.306 -1.783 2.687 1.00 0.00 C ATOM 96 O TYR A 17 5.987 -0.884 1.933 1.00 0.00 O ATOM 97 CB TYR A 17 5.472 -3.934 3.567 1.00 0.00 C ATOM 98 CG TYR A 17 4.346 -4.590 4.315 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.080 -4.679 3.728 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.568 -5.103 5.591 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.029 -5.284 4.424 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.519 -5.711 6.292 1.00 0.00 C ATOM 103 CZ TYR A 17 2.247 -5.802 5.707 1.00 0.00 C ATOM 104 OH TYR A 17 1.211 -6.400 6.396 1.00 0.00 O ATOM 0 H TYR A 17 3.738 -2.186 2.192 1.00 0.00 H new ATOM 0 HA TYR A 17 5.454 -2.064 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.480 -4.269 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.430 -4.220 4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.914 -4.281 2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.548 -5.032 6.039 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.050 -5.352 3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.689 -6.109 7.281 1.00 0.00 H new ATOM 0 HH TYR A 17 1.533 -6.706 7.270 1.00 0.00 H new ATOM 114 N ILE A 18 7.523 -2.258 2.716 1.00 0.00 N ATOM 115 CA ILE A 18 8.573 -1.694 1.804 1.00 0.00 C ATOM 116 C ILE A 18 9.471 -2.816 1.277 1.00 0.00 C ATOM 117 O ILE A 18 9.671 -3.827 1.920 1.00 0.00 O ATOM 118 CB ILE A 18 9.422 -0.655 2.552 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.269 0.134 1.542 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.350 -1.351 3.554 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.886 1.349 2.231 1.00 0.00 C ATOM 0 H ILE A 18 7.839 -3.010 3.328 1.00 0.00 H new ATOM 0 HA ILE A 18 8.080 -1.209 0.962 1.00 0.00 H new ATOM 0 HB ILE A 18 8.759 0.022 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 18 11.054 -0.503 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.650 0.454 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.946 -0.604 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.753 -1.909 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.011 -2.036 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.487 1.908 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.093 1.989 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.519 1.018 3.054 1.00 0.00 H new ATOM 133 N ARG A 19 10.012 -2.636 0.102 1.00 0.00 N ATOM 134 CA ARG A 19 10.904 -3.676 -0.495 1.00 0.00 C ATOM 135 C ARG A 19 12.356 -3.363 -0.127 1.00 0.00 C ATOM 136 O ARG A 19 12.735 -2.218 0.019 1.00 0.00 O ATOM 137 CB ARG A 19 10.743 -3.650 -2.021 1.00 0.00 C ATOM 138 CG ARG A 19 11.366 -4.905 -2.652 1.00 0.00 C ATOM 139 CD ARG A 19 10.764 -5.131 -4.046 1.00 0.00 C ATOM 140 NE ARG A 19 10.509 -3.817 -4.701 1.00 0.00 N ATOM 141 CZ ARG A 19 10.257 -3.764 -5.982 1.00 0.00 C ATOM 142 NH1 ARG A 19 10.202 -4.865 -6.680 1.00 0.00 N ATOM 143 NH2 ARG A 19 10.049 -2.614 -6.561 1.00 0.00 N ATOM 0 H ARG A 19 9.874 -1.807 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 19 10.638 -4.662 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.686 -3.593 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.219 -2.758 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.447 -4.789 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.181 -5.773 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.445 -5.726 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.834 -5.694 -3.965 1.00 0.00 H new ATOM 0 HE ARG A 19 10.531 -2.959 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.356 -5.765 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.005 -4.826 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.083 -1.754 -6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.852 -2.575 -7.561 1.00 0.00 H new ATOM 157 N ASN A 20 13.174 -4.369 0.027 1.00 0.00 N ATOM 158 CA ASN A 20 14.597 -4.117 0.388 1.00 0.00 C ATOM 159 C ASN A 20 15.205 -3.123 -0.602 1.00 0.00 C ATOM 160 O ASN A 20 16.288 -2.612 -0.397 1.00 0.00 O ATOM 161 CB ASN A 20 15.379 -5.435 0.347 1.00 0.00 C ATOM 162 CG ASN A 20 15.078 -6.249 1.608 1.00 0.00 C ATOM 163 OD1 ASN A 20 15.846 -6.240 2.549 1.00 0.00 O ATOM 164 ND2 ASN A 20 13.983 -6.957 1.669 1.00 0.00 N ATOM 0 H ASN A 20 12.919 -5.351 -0.081 1.00 0.00 H new ATOM 0 HA ASN A 20 14.649 -3.701 1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.104 -6.005 -0.540 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.448 -5.234 0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.774 -7.501 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.337 -6.966 0.880 1.00 0.00 H new ATOM 171 N ASN A 21 14.514 -2.838 -1.674 1.00 0.00 N ATOM 172 CA ASN A 21 15.045 -1.869 -2.675 1.00 0.00 C ATOM 173 C ASN A 21 14.571 -0.464 -2.302 1.00 0.00 C ATOM 174 O ASN A 21 14.913 0.510 -2.939 1.00 0.00 O ATOM 175 CB ASN A 21 14.508 -2.233 -4.059 1.00 0.00 C ATOM 176 CG ASN A 21 15.243 -3.464 -4.588 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.402 -3.670 -4.290 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.609 -4.297 -5.368 1.00 0.00 N ATOM 0 H ASN A 21 13.602 -3.236 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 21 16.134 -1.902 -2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.438 -2.432 -4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.642 -1.395 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.087 -5.123 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.635 -4.122 -5.617 1.00 0.00 H new ATOM 185 N GLY A 22 13.779 -0.359 -1.269 1.00 0.00 N ATOM 186 CA GLY A 22 13.271 0.976 -0.843 1.00 0.00 C ATOM 187 C GLY A 22 11.992 1.299 -1.613 1.00 0.00 C ATOM 188 O GLY A 22 11.472 2.395 -1.539 1.00 0.00 O ATOM 0 H GLY A 22 13.461 -1.144 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.074 0.978 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.025 1.741 -1.030 1.00 0.00 H new ATOM 192 N TYR A 23 11.469 0.347 -2.341 1.00 0.00 N ATOM 193 CA TYR A 23 10.210 0.595 -3.102 1.00 0.00 C ATOM 194 C TYR A 23 9.033 0.328 -2.163 1.00 0.00 C ATOM 195 O TYR A 23 8.985 -0.678 -1.485 1.00 0.00 O ATOM 196 CB TYR A 23 10.142 -0.363 -4.312 1.00 0.00 C ATOM 197 CG TYR A 23 10.682 0.309 -5.558 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.045 0.606 -5.654 1.00 0.00 C ATOM 199 CD2 TYR A 23 9.820 0.623 -6.620 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.549 1.216 -6.808 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.325 1.233 -7.774 1.00 0.00 C ATOM 202 CZ TYR A 23 11.689 1.529 -7.867 1.00 0.00 C ATOM 203 OH TYR A 23 12.189 2.130 -9.005 1.00 0.00 O ATOM 0 H TYR A 23 11.859 -0.590 -2.441 1.00 0.00 H new ATOM 0 HA TYR A 23 10.178 1.622 -3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.717 -1.265 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.111 -0.674 -4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.709 0.364 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.767 0.394 -6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.602 1.445 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.662 1.475 -8.592 1.00 0.00 H new ATOM 0 HH TYR A 23 11.461 2.278 -9.644 1.00 0.00 H new ATOM 213 N TYR A 24 8.082 1.216 -2.119 1.00 0.00 N ATOM 214 CA TYR A 24 6.913 1.001 -1.223 1.00 0.00 C ATOM 215 C TYR A 24 5.917 0.084 -1.935 1.00 0.00 C ATOM 216 O TYR A 24 5.802 0.105 -3.144 1.00 0.00 O ATOM 217 CB TYR A 24 6.250 2.346 -0.926 1.00 0.00 C ATOM 218 CG TYR A 24 7.102 3.120 0.054 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.233 2.667 1.371 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.761 4.288 -0.354 1.00 0.00 C ATOM 221 CE1 TYR A 24 8.021 3.380 2.281 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.550 5.001 0.558 1.00 0.00 C ATOM 223 CZ TYR A 24 8.679 4.547 1.875 1.00 0.00 C ATOM 224 OH TYR A 24 9.457 5.249 2.774 1.00 0.00 O ATOM 0 H TYR A 24 8.063 2.079 -2.662 1.00 0.00 H new ATOM 0 HA TYR A 24 7.234 0.545 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.128 2.915 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.253 2.189 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.726 1.767 1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.661 4.638 -1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.122 3.030 3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.058 5.901 0.245 1.00 0.00 H new ATOM 0 HH TYR A 24 9.843 6.033 2.330 1.00 0.00 H new ATOM 234 N CYS A 25 5.197 -0.727 -1.204 1.00 0.00 N ATOM 235 CA CYS A 25 4.218 -1.645 -1.859 1.00 0.00 C ATOM 236 C CYS A 25 3.020 -1.875 -0.936 1.00 0.00 C ATOM 237 O CYS A 25 3.151 -1.929 0.270 1.00 0.00 O ATOM 238 CB CYS A 25 4.898 -2.983 -2.160 1.00 0.00 C ATOM 239 SG CYS A 25 6.418 -2.690 -3.097 1.00 0.00 S ATOM 0 H CYS A 25 5.244 -0.793 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 25 3.870 -1.195 -2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.126 -3.504 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.225 -3.625 -2.729 1.00 0.00 H new ATOM 0 HG CYS A 25 6.354 -1.527 -3.675 1.00 0.00 H new ATOM 245 N TYR A 26 1.847 -2.003 -1.504 1.00 0.00 N ATOM 246 CA TYR A 26 0.619 -2.223 -0.679 1.00 0.00 C ATOM 247 C TYR A 26 0.234 -3.703 -0.708 1.00 0.00 C ATOM 248 O TYR A 26 0.452 -4.387 -1.688 1.00 0.00 O ATOM 249 CB TYR A 26 -0.527 -1.397 -1.260 1.00 0.00 C ATOM 250 CG TYR A 26 -1.694 -1.436 -0.310 1.00 0.00 C ATOM 251 CD1 TYR A 26 -2.654 -2.446 -0.425 1.00 0.00 C ATOM 252 CD2 TYR A 26 -1.814 -0.465 0.692 1.00 0.00 C ATOM 253 CE1 TYR A 26 -3.738 -2.486 0.461 1.00 0.00 C ATOM 254 CE2 TYR A 26 -2.894 -0.505 1.578 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.858 -1.514 1.464 1.00 0.00 C ATOM 256 OH TYR A 26 -4.924 -1.552 2.338 1.00 0.00 O ATOM 0 H TYR A 26 1.686 -1.964 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 26 0.815 -1.920 0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.206 -0.368 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.820 -1.793 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.560 -3.195 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.072 0.315 0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.481 -3.265 0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.985 0.243 2.351 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.964 -0.713 2.842 1.00 0.00 H new ATOM 266 N ARG A 27 -0.341 -4.204 0.361 1.00 0.00 N ATOM 267 CA ARG A 27 -0.747 -5.646 0.405 1.00 0.00 C ATOM 268 C ARG A 27 -2.264 -5.767 0.266 1.00 0.00 C ATOM 269 O ARG A 27 -3.010 -5.439 1.167 1.00 0.00 O ATOM 270 CB ARG A 27 -0.316 -6.259 1.740 1.00 0.00 C ATOM 271 CG ARG A 27 -0.825 -7.724 1.847 1.00 0.00 C ATOM 272 CD ARG A 27 0.239 -8.629 2.498 1.00 0.00 C ATOM 273 NE ARG A 27 1.136 -9.178 1.439 1.00 0.00 N ATOM 274 CZ ARG A 27 2.282 -9.715 1.763 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.652 -9.764 3.013 1.00 0.00 N ATOM 276 NH2 ARG A 27 3.061 -10.206 0.835 1.00 0.00 N ATOM 0 H ARG A 27 -0.547 -3.674 1.208 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.265 -6.174 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.770 -6.237 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.712 -5.667 2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.742 -7.753 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.071 -8.101 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.820 -8.061 3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.242 -9.443 3.041 1.00 0.00 H new ATOM 0 HE ARG A 27 0.854 -9.134 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.046 -9.383 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.547 -10.184 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.774 -10.170 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.956 -10.625 1.089 1.00 0.00 H new ATOM 290 N ASP A 28 -2.726 -6.250 -0.855 1.00 0.00 N ATOM 291 CA ASP A 28 -4.192 -6.404 -1.052 1.00 0.00 C ATOM 292 C ASP A 28 -4.686 -7.577 -0.183 1.00 0.00 C ATOM 293 O ASP A 28 -4.239 -8.693 -0.359 1.00 0.00 O ATOM 294 CB ASP A 28 -4.467 -6.713 -2.527 1.00 0.00 C ATOM 295 CG ASP A 28 -5.971 -6.881 -2.750 1.00 0.00 C ATOM 296 OD1 ASP A 28 -6.686 -7.021 -1.773 1.00 0.00 O ATOM 297 OD2 ASP A 28 -6.383 -6.866 -3.899 1.00 0.00 O ATOM 0 H ASP A 28 -2.149 -6.545 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.710 -5.488 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.085 -5.907 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.943 -7.622 -2.821 1.00 0.00 H new ATOM 302 N PRO A 29 -5.590 -7.354 0.751 1.00 0.00 N ATOM 303 CA PRO A 29 -6.098 -8.450 1.625 1.00 0.00 C ATOM 304 C PRO A 29 -7.127 -9.334 0.906 1.00 0.00 C ATOM 305 O PRO A 29 -7.649 -10.276 1.469 1.00 0.00 O ATOM 306 CB PRO A 29 -6.734 -7.704 2.802 1.00 0.00 C ATOM 307 CG PRO A 29 -7.200 -6.406 2.225 1.00 0.00 C ATOM 308 CD PRO A 29 -6.227 -6.061 1.086 1.00 0.00 C ATOM 0 HA PRO A 29 -5.307 -9.136 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.564 -8.269 3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.014 -7.544 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.220 -6.492 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.203 -5.623 2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.751 -5.641 0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.489 -5.323 1.402 1.00 0.00 H new ATOM 316 N ARG A 30 -7.417 -9.044 -0.336 1.00 0.00 N ATOM 317 CA ARG A 30 -8.405 -9.874 -1.088 1.00 0.00 C ATOM 318 C ARG A 30 -7.673 -11.013 -1.799 1.00 0.00 C ATOM 319 O ARG A 30 -8.227 -12.072 -2.023 1.00 0.00 O ATOM 320 CB ARG A 30 -9.119 -9.009 -2.128 1.00 0.00 C ATOM 321 CG ARG A 30 -10.062 -9.886 -2.954 1.00 0.00 C ATOM 322 CD ARG A 30 -10.995 -8.995 -3.777 1.00 0.00 C ATOM 323 NE ARG A 30 -10.182 -8.134 -4.681 1.00 0.00 N ATOM 324 CZ ARG A 30 -10.756 -7.497 -5.667 1.00 0.00 C ATOM 325 NH1 ARG A 30 -12.043 -7.609 -5.853 1.00 0.00 N ATOM 326 NH2 ARG A 30 -10.042 -6.749 -6.465 1.00 0.00 N ATOM 0 H ARG A 30 -7.013 -8.269 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.137 -10.283 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.681 -8.216 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.390 -8.526 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.487 -10.536 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.644 -10.532 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.682 -9.608 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.603 -8.377 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.177 -8.042 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.600 -8.193 -5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.492 -7.112 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.036 -6.662 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.490 -6.252 -7.235 1.00 0.00 H new ATOM 340 N THR A 31 -6.427 -10.798 -2.153 1.00 0.00 N ATOM 341 CA THR A 31 -5.629 -11.857 -2.853 1.00 0.00 C ATOM 342 C THR A 31 -4.395 -12.198 -2.009 1.00 0.00 C ATOM 343 O THR A 31 -3.889 -13.301 -2.053 1.00 0.00 O ATOM 344 CB THR A 31 -5.190 -11.333 -4.224 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.228 -12.216 -4.782 1.00 0.00 O ATOM 346 CG2 THR A 31 -4.582 -9.936 -4.076 1.00 0.00 C ATOM 0 H THR A 31 -5.924 -9.926 -1.985 1.00 0.00 H new ATOM 0 HA THR A 31 -6.235 -12.753 -2.986 1.00 0.00 H new ATOM 0 HB THR A 31 -6.057 -11.277 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.948 -11.882 -5.660 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.272 -9.569 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.324 -9.259 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.716 -9.984 -3.415 1.00 0.00 H new ATOM 354 N GLY A 32 -3.918 -11.260 -1.226 1.00 0.00 N ATOM 355 CA GLY A 32 -2.727 -11.525 -0.357 1.00 0.00 C ATOM 356 C GLY A 32 -1.435 -11.098 -1.065 1.00 0.00 C ATOM 357 O GLY A 32 -0.382 -11.038 -0.462 1.00 0.00 O ATOM 0 H GLY A 32 -4.304 -10.319 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.829 -10.983 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.679 -12.586 -0.110 1.00 0.00 H new ATOM 361 N LYS A 33 -1.499 -10.812 -2.337 1.00 0.00 N ATOM 362 CA LYS A 33 -0.265 -10.401 -3.073 1.00 0.00 C ATOM 363 C LYS A 33 0.074 -8.938 -2.762 1.00 0.00 C ATOM 364 O LYS A 33 -0.610 -8.279 -2.004 1.00 0.00 O ATOM 365 CB LYS A 33 -0.496 -10.584 -4.580 1.00 0.00 C ATOM 366 CG LYS A 33 -0.301 -12.060 -4.960 1.00 0.00 C ATOM 367 CD LYS A 33 -1.100 -12.958 -4.005 1.00 0.00 C ATOM 368 CE LYS A 33 -1.191 -14.369 -4.586 1.00 0.00 C ATOM 369 NZ LYS A 33 -1.952 -15.245 -3.649 1.00 0.00 N ATOM 0 H LYS A 33 -2.350 -10.844 -2.899 1.00 0.00 H new ATOM 0 HA LYS A 33 0.573 -11.022 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.503 -10.260 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.198 -9.959 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.627 -12.226 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.757 -12.319 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.618 -12.986 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.100 -12.550 -3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.684 -14.343 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.191 -14.773 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.487 -15.952 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.289 -15.729 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.611 -14.666 -3.090 1.00 0.00 H new ATOM 383 N GLU A 34 1.143 -8.436 -3.339 1.00 0.00 N ATOM 384 CA GLU A 34 1.565 -7.019 -3.085 1.00 0.00 C ATOM 385 C GLU A 34 1.368 -6.171 -4.345 1.00 0.00 C ATOM 386 O GLU A 34 0.988 -6.665 -5.388 1.00 0.00 O ATOM 387 CB GLU A 34 3.046 -6.999 -2.696 1.00 0.00 C ATOM 388 CG GLU A 34 3.240 -7.756 -1.380 1.00 0.00 C ATOM 389 CD GLU A 34 4.734 -7.859 -1.070 1.00 0.00 C ATOM 390 OE1 GLU A 34 5.363 -8.772 -1.579 1.00 0.00 O ATOM 391 OE2 GLU A 34 5.224 -7.022 -0.328 1.00 0.00 O ATOM 0 H GLU A 34 1.746 -8.952 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 34 0.957 -6.607 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.646 -7.457 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.391 -5.970 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.724 -7.239 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.803 -8.752 -1.452 1.00 0.00 H new ATOM 398 N PHE A 35 1.628 -4.890 -4.249 1.00 0.00 N ATOM 399 CA PHE A 35 1.466 -3.983 -5.428 1.00 0.00 C ATOM 400 C PHE A 35 2.626 -2.981 -5.448 1.00 0.00 C ATOM 401 O PHE A 35 2.748 -2.148 -4.577 1.00 0.00 O ATOM 402 CB PHE A 35 0.138 -3.220 -5.300 1.00 0.00 C ATOM 403 CG PHE A 35 -0.996 -4.057 -5.845 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.516 -5.115 -5.089 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.526 -3.770 -7.108 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.568 -5.886 -5.599 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.576 -4.541 -7.618 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.097 -5.599 -6.864 1.00 0.00 C ATOM 0 H PHE A 35 1.948 -4.430 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 35 1.465 -4.567 -6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.050 -2.975 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.198 -2.277 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.106 -5.336 -4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.124 -2.953 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.971 -6.702 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.984 -4.320 -8.593 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.907 -6.194 -7.258 1.00 0.00 H new ATOM 418 N GLY A 36 3.475 -3.052 -6.437 1.00 0.00 N ATOM 419 CA GLY A 36 4.620 -2.097 -6.503 1.00 0.00 C ATOM 420 C GLY A 36 4.104 -0.698 -6.852 1.00 0.00 C ATOM 421 O GLY A 36 3.478 -0.496 -7.873 1.00 0.00 O ATOM 0 H GLY A 36 3.427 -3.727 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.143 -2.074 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.339 -2.427 -7.252 1.00 0.00 H new ATOM 425 N LEU A 37 4.366 0.270 -6.007 1.00 0.00 N ATOM 426 CA LEU A 37 3.898 1.669 -6.274 1.00 0.00 C ATOM 427 C LEU A 37 5.082 2.532 -6.713 1.00 0.00 C ATOM 428 O LEU A 37 5.070 3.128 -7.771 1.00 0.00 O ATOM 429 CB LEU A 37 3.302 2.262 -4.994 1.00 0.00 C ATOM 430 CG LEU A 37 2.282 1.289 -4.394 1.00 0.00 C ATOM 431 CD1 LEU A 37 1.638 1.929 -3.161 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.197 0.967 -5.432 1.00 0.00 C ATOM 0 H LEU A 37 4.887 0.151 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 37 3.144 1.649 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.094 2.463 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.822 3.216 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 37 2.787 0.366 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.911 1.240 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.408 2.152 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.135 2.852 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.474 0.275 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.689 1.886 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.656 0.511 -6.309 1.00 0.00 H new ATOM 444 N GLY A 38 6.099 2.611 -5.904 1.00 0.00 N ATOM 445 CA GLY A 38 7.280 3.442 -6.272 1.00 0.00 C ATOM 446 C GLY A 38 8.124 3.714 -5.026 1.00 0.00 C ATOM 447 O GLY A 38 8.047 2.994 -4.049 1.00 0.00 O ATOM 0 H GLY A 38 6.165 2.137 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.879 2.928 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.952 4.383 -6.714 1.00 0.00 H new ATOM 451 N ARG A 39 8.931 4.745 -5.055 1.00 0.00 N ATOM 452 CA ARG A 39 9.794 5.075 -3.876 1.00 0.00 C ATOM 453 C ARG A 39 9.257 6.323 -3.169 1.00 0.00 C ATOM 454 O ARG A 39 9.845 6.807 -2.222 1.00 0.00 O ATOM 455 CB ARG A 39 11.225 5.347 -4.358 1.00 0.00 C ATOM 456 CG ARG A 39 11.591 4.367 -5.496 1.00 0.00 C ATOM 457 CD ARG A 39 11.055 4.860 -6.869 1.00 0.00 C ATOM 458 NE ARG A 39 12.182 5.006 -7.855 1.00 0.00 N ATOM 459 CZ ARG A 39 13.262 5.696 -7.578 1.00 0.00 C ATOM 460 NH1 ARG A 39 13.365 6.344 -6.451 1.00 0.00 N ATOM 461 NH2 ARG A 39 14.236 5.752 -8.443 1.00 0.00 N ATOM 0 H ARG A 39 9.031 5.377 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 39 9.788 4.236 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.310 6.375 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.925 5.234 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.674 4.255 -5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.179 3.382 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.318 4.154 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.547 5.816 -6.745 1.00 0.00 H new ATOM 0 HE ARG A 39 12.104 4.555 -8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.601 6.317 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.209 6.878 -6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.157 5.260 -9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.077 6.288 -8.230 1.00 0.00 H new ATOM 475 N ASP A 40 8.161 6.862 -3.629 1.00 0.00 N ATOM 476 CA ASP A 40 7.609 8.094 -2.986 1.00 0.00 C ATOM 477 C ASP A 40 6.571 7.715 -1.936 1.00 0.00 C ATOM 478 O ASP A 40 5.420 7.473 -2.243 1.00 0.00 O ATOM 479 CB ASP A 40 6.944 8.973 -4.048 1.00 0.00 C ATOM 480 CG ASP A 40 8.008 9.496 -5.015 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.988 8.797 -5.219 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.828 10.586 -5.533 1.00 0.00 O ATOM 0 H ASP A 40 7.624 6.506 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 40 8.425 8.639 -2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.193 8.400 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.427 9.807 -3.574 1.00 0.00 H new ATOM 487 N ARG A 41 6.962 7.680 -0.691 1.00 0.00 N ATOM 488 CA ARG A 41 5.991 7.337 0.381 1.00 0.00 C ATOM 489 C ARG A 41 4.757 8.224 0.223 1.00 0.00 C ATOM 490 O ARG A 41 3.691 7.917 0.699 1.00 0.00 O ATOM 491 CB ARG A 41 6.634 7.580 1.755 1.00 0.00 C ATOM 492 CG ARG A 41 6.740 9.085 2.037 1.00 0.00 C ATOM 493 CD ARG A 41 7.654 9.311 3.238 1.00 0.00 C ATOM 494 NE ARG A 41 9.041 8.904 2.883 1.00 0.00 N ATOM 495 CZ ARG A 41 10.046 9.293 3.618 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.838 10.045 4.665 1.00 0.00 N ATOM 497 NH2 ARG A 41 11.259 8.936 3.301 1.00 0.00 N ATOM 0 H ARG A 41 7.911 7.874 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 41 5.705 6.288 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.040 7.099 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.625 7.127 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.134 9.603 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.752 9.500 2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.635 10.360 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.301 8.734 4.092 1.00 0.00 H new ATOM 0 HE ARG A 41 9.206 8.320 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.889 10.329 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.624 10.349 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.421 8.354 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.046 9.239 3.874 1.00 0.00 H new ATOM 511 N ARG A 42 4.908 9.327 -0.450 1.00 0.00 N ATOM 512 CA ARG A 42 3.764 10.254 -0.651 1.00 0.00 C ATOM 513 C ARG A 42 2.792 9.628 -1.636 1.00 0.00 C ATOM 514 O ARG A 42 1.627 9.437 -1.349 1.00 0.00 O ATOM 515 CB ARG A 42 4.272 11.580 -1.225 1.00 0.00 C ATOM 516 CG ARG A 42 5.404 12.136 -0.351 1.00 0.00 C ATOM 517 CD ARG A 42 4.854 12.598 1.003 1.00 0.00 C ATOM 518 NE ARG A 42 5.804 13.570 1.613 1.00 0.00 N ATOM 519 CZ ARG A 42 5.423 14.317 2.614 1.00 0.00 C ATOM 520 NH1 ARG A 42 4.213 14.201 3.092 1.00 0.00 N ATOM 521 NH2 ARG A 42 6.251 15.180 3.136 1.00 0.00 N ATOM 0 H ARG A 42 5.785 9.629 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 42 3.268 10.437 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.629 11.431 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.455 12.300 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.165 11.371 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.888 12.971 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.876 13.061 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.716 11.742 1.664 1.00 0.00 H new ATOM 0 HE ARG A 42 6.753 13.652 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.566 13.527 2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.915 14.784 3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.196 15.271 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.954 15.764 3.918 1.00 0.00 H new ATOM 535 N ILE A 43 3.272 9.313 -2.803 1.00 0.00 N ATOM 536 CA ILE A 43 2.393 8.706 -3.827 1.00 0.00 C ATOM 537 C ILE A 43 1.976 7.307 -3.373 1.00 0.00 C ATOM 538 O ILE A 43 0.864 6.874 -3.602 1.00 0.00 O ATOM 539 CB ILE A 43 3.152 8.617 -5.164 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.779 9.976 -5.533 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.192 8.187 -6.275 1.00 0.00 C ATOM 542 CD1 ILE A 43 2.795 11.115 -5.279 1.00 0.00 C ATOM 0 H ILE A 43 4.241 9.452 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 43 1.503 9.321 -3.959 1.00 0.00 H new ATOM 0 HB ILE A 43 3.949 7.882 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.685 10.135 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.075 9.972 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.733 8.125 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.770 7.211 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.388 8.918 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.260 12.064 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.901 10.965 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.521 11.130 -4.224 1.00 0.00 H new ATOM 554 N ALA A 44 2.856 6.599 -2.731 1.00 0.00 N ATOM 555 CA ALA A 44 2.510 5.230 -2.261 1.00 0.00 C ATOM 556 C ALA A 44 1.465 5.319 -1.141 1.00 0.00 C ATOM 557 O ALA A 44 0.387 4.767 -1.242 1.00 0.00 O ATOM 558 CB ALA A 44 3.787 4.550 -1.755 1.00 0.00 C ATOM 0 H ALA A 44 3.803 6.908 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 44 2.088 4.644 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.550 3.545 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.514 4.491 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.206 5.130 -0.933 1.00 0.00 H new ATOM 564 N ILE A 45 1.772 6.006 -0.074 1.00 0.00 N ATOM 565 CA ILE A 45 0.789 6.121 1.042 1.00 0.00 C ATOM 566 C ILE A 45 -0.533 6.653 0.487 1.00 0.00 C ATOM 567 O ILE A 45 -1.598 6.271 0.929 1.00 0.00 O ATOM 568 CB ILE A 45 1.330 7.077 2.111 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.545 6.438 2.793 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.248 7.353 3.155 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.252 7.477 3.667 1.00 0.00 C ATOM 0 H ILE A 45 2.657 6.491 0.073 1.00 0.00 H new ATOM 0 HA ILE A 45 0.628 5.143 1.494 1.00 0.00 H new ATOM 0 HB ILE A 45 1.623 8.016 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.229 5.591 3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.234 6.051 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.638 8.033 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.617 7.806 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.050 6.417 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.115 7.019 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.583 8.310 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.562 7.843 4.427 1.00 0.00 H new ATOM 583 N THR A 46 -0.478 7.524 -0.485 1.00 0.00 N ATOM 584 CA THR A 46 -1.737 8.063 -1.067 1.00 0.00 C ATOM 585 C THR A 46 -2.621 6.886 -1.488 1.00 0.00 C ATOM 586 O THR A 46 -3.763 6.783 -1.094 1.00 0.00 O ATOM 587 CB THR A 46 -1.392 8.952 -2.282 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.207 10.288 -1.842 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.512 8.917 -3.332 1.00 0.00 C ATOM 0 H THR A 46 0.382 7.883 -0.899 1.00 0.00 H new ATOM 0 HA THR A 46 -2.273 8.668 -0.336 1.00 0.00 H new ATOM 0 HB THR A 46 -0.479 8.571 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.277 10.414 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.240 9.552 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.653 7.894 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.439 9.280 -2.888 1.00 0.00 H new ATOM 597 N GLU A 47 -2.093 6.004 -2.285 1.00 0.00 N ATOM 598 CA GLU A 47 -2.886 4.830 -2.749 1.00 0.00 C ATOM 599 C GLU A 47 -3.283 3.982 -1.546 1.00 0.00 C ATOM 600 O GLU A 47 -4.391 3.491 -1.450 1.00 0.00 O ATOM 601 CB GLU A 47 -2.022 3.986 -3.683 1.00 0.00 C ATOM 602 CG GLU A 47 -1.503 4.853 -4.824 1.00 0.00 C ATOM 603 CD GLU A 47 -2.655 5.192 -5.773 1.00 0.00 C ATOM 604 OE1 GLU A 47 -3.432 4.299 -6.070 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.742 6.336 -6.185 1.00 0.00 O ATOM 0 H GLU A 47 -1.137 6.044 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.780 5.173 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.186 3.555 -3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.604 3.155 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.063 5.768 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.715 4.328 -5.364 1.00 0.00 H new ATOM 612 N ALA A 48 -2.381 3.808 -0.630 1.00 0.00 N ATOM 613 CA ALA A 48 -2.689 2.990 0.578 1.00 0.00 C ATOM 614 C ALA A 48 -3.964 3.517 1.238 1.00 0.00 C ATOM 615 O ALA A 48 -4.845 2.767 1.608 1.00 0.00 O ATOM 616 CB ALA A 48 -1.529 3.098 1.568 1.00 0.00 C ATOM 0 H ALA A 48 -1.438 4.197 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.831 1.949 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.749 2.501 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.616 2.730 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.393 4.140 1.857 1.00 0.00 H new ATOM 622 N ILE A 49 -4.065 4.807 1.392 1.00 0.00 N ATOM 623 CA ILE A 49 -5.277 5.393 2.034 1.00 0.00 C ATOM 624 C ILE A 49 -6.531 5.017 1.239 1.00 0.00 C ATOM 625 O ILE A 49 -7.524 4.600 1.801 1.00 0.00 O ATOM 626 CB ILE A 49 -5.132 6.912 2.096 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.972 7.255 3.028 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.422 7.531 2.637 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.647 8.744 2.922 1.00 0.00 C ATOM 0 H ILE A 49 -3.360 5.484 1.101 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.376 4.997 3.045 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.939 7.307 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.232 7.002 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.095 6.662 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.315 8.615 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.253 7.274 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.619 7.146 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.819 8.984 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.368 8.983 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.522 9.329 3.206 1.00 0.00 H new ATOM 641 N GLN A 50 -6.503 5.156 -0.058 1.00 0.00 N ATOM 642 CA GLN A 50 -7.709 4.795 -0.858 1.00 0.00 C ATOM 643 C GLN A 50 -7.990 3.309 -0.671 1.00 0.00 C ATOM 644 O GLN A 50 -9.125 2.882 -0.601 1.00 0.00 O ATOM 645 CB GLN A 50 -7.468 5.087 -2.343 1.00 0.00 C ATOM 646 CG GLN A 50 -6.729 6.417 -2.488 1.00 0.00 C ATOM 647 CD GLN A 50 -6.884 6.947 -3.915 1.00 0.00 C ATOM 648 OE1 GLN A 50 -7.911 7.496 -4.263 1.00 0.00 O ATOM 649 NE2 GLN A 50 -5.902 6.803 -4.759 1.00 0.00 N ATOM 0 H GLN A 50 -5.707 5.500 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.560 5.386 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.884 4.284 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.418 5.127 -2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.125 7.142 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.673 6.284 -2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.041 6.342 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.994 7.151 -5.713 1.00 0.00 H new ATOM 658 N ALA A 51 -6.960 2.520 -0.575 1.00 0.00 N ATOM 659 CA ALA A 51 -7.166 1.063 -0.374 1.00 0.00 C ATOM 660 C ALA A 51 -7.843 0.862 0.978 1.00 0.00 C ATOM 661 O ALA A 51 -8.671 -0.011 1.149 1.00 0.00 O ATOM 662 CB ALA A 51 -5.816 0.341 -0.388 1.00 0.00 C ATOM 0 H ALA A 51 -5.987 2.820 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.787 0.656 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.973 -0.727 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.325 0.506 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.187 0.730 0.413 1.00 0.00 H new ATOM 668 N ASN A 52 -7.498 1.677 1.939 1.00 0.00 N ATOM 669 CA ASN A 52 -8.117 1.554 3.282 1.00 0.00 C ATOM 670 C ASN A 52 -9.586 1.984 3.213 1.00 0.00 C ATOM 671 O ASN A 52 -10.449 1.373 3.812 1.00 0.00 O ATOM 672 CB ASN A 52 -7.362 2.453 4.262 1.00 0.00 C ATOM 673 CG ASN A 52 -6.048 1.778 4.670 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.789 0.653 4.294 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.202 2.424 5.427 1.00 0.00 N ATOM 0 H ASN A 52 -6.810 2.425 1.847 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.065 0.519 3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.158 3.420 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.974 2.642 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.324 1.983 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.419 3.369 5.743 1.00 0.00 H new ATOM 682 N ILE A 53 -9.876 3.032 2.488 1.00 0.00 N ATOM 683 CA ILE A 53 -11.291 3.498 2.385 1.00 0.00 C ATOM 684 C ILE A 53 -12.093 2.479 1.583 1.00 0.00 C ATOM 685 O ILE A 53 -13.197 2.119 1.940 1.00 0.00 O ATOM 686 CB ILE A 53 -11.345 4.856 1.676 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.663 5.915 2.548 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.809 5.251 1.445 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.508 7.215 1.752 1.00 0.00 C ATOM 0 H ILE A 53 -9.197 3.584 1.964 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.711 3.601 3.385 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.830 4.788 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.253 6.095 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.686 5.558 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.850 6.217 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.296 4.497 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.323 5.320 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.023 7.967 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.900 7.029 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.491 7.575 1.448 1.00 0.00 H new ATOM 701 N GLU A 54 -11.544 2.010 0.501 1.00 0.00 N ATOM 702 CA GLU A 54 -12.272 1.013 -0.324 1.00 0.00 C ATOM 703 C GLU A 54 -12.398 -0.282 0.472 1.00 0.00 C ATOM 704 O GLU A 54 -13.235 -1.117 0.194 1.00 0.00 O ATOM 705 CB GLU A 54 -11.488 0.749 -1.607 1.00 0.00 C ATOM 706 CG GLU A 54 -11.528 1.996 -2.495 1.00 0.00 C ATOM 707 CD GLU A 54 -12.933 2.169 -3.077 1.00 0.00 C ATOM 708 OE1 GLU A 54 -13.720 1.245 -2.958 1.00 0.00 O ATOM 709 OE2 GLU A 54 -13.198 3.223 -3.633 1.00 0.00 O ATOM 0 H GLU A 54 -10.623 2.274 0.153 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.263 1.390 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.456 0.492 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.914 -0.102 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.253 2.877 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.799 1.905 -3.300 1.00 0.00 H new ATOM 716 N LEU A 55 -11.570 -0.455 1.466 1.00 0.00 N ATOM 717 CA LEU A 55 -11.645 -1.693 2.285 1.00 0.00 C ATOM 718 C LEU A 55 -12.990 -1.716 3.024 1.00 0.00 C ATOM 719 O LEU A 55 -13.452 -2.752 3.458 1.00 0.00 O ATOM 720 CB LEU A 55 -10.465 -1.707 3.289 1.00 0.00 C ATOM 721 CG LEU A 55 -9.746 -3.069 3.265 1.00 0.00 C ATOM 722 CD1 LEU A 55 -8.834 -3.160 2.031 1.00 0.00 C ATOM 723 CD2 LEU A 55 -8.899 -3.224 4.535 1.00 0.00 C ATOM 0 H LEU A 55 -10.846 0.208 1.744 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.575 -2.578 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.760 -0.914 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.834 -1.502 4.294 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.491 -3.864 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.329 -4.126 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.434 -3.055 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.091 -2.363 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.390 -4.188 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.160 -2.424 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.544 -3.170 5.412 1.00 0.00 H new ATOM 735 N PHE A 56 -13.626 -0.579 3.164 1.00 0.00 N ATOM 736 CA PHE A 56 -14.937 -0.531 3.864 1.00 0.00 C ATOM 737 C PHE A 56 -16.046 -0.649 2.808 1.00 0.00 C ATOM 738 O PHE A 56 -17.211 -0.770 3.126 1.00 0.00 O ATOM 739 CB PHE A 56 -15.030 0.800 4.636 1.00 0.00 C ATOM 740 CG PHE A 56 -16.468 1.233 4.795 1.00 0.00 C ATOM 741 CD1 PHE A 56 -17.223 0.787 5.883 1.00 0.00 C ATOM 742 CD2 PHE A 56 -17.035 2.083 3.845 1.00 0.00 C ATOM 743 CE1 PHE A 56 -18.555 1.195 6.022 1.00 0.00 C ATOM 744 CE2 PHE A 56 -18.367 2.493 3.981 1.00 0.00 C ATOM 745 CZ PHE A 56 -19.127 2.050 5.070 1.00 0.00 C ATOM 0 H PHE A 56 -13.288 0.320 2.820 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.045 -1.349 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.569 0.688 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -14.470 1.571 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -16.780 0.129 6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -16.447 2.424 3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -19.141 0.851 6.862 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -18.808 3.151 3.246 1.00 0.00 H new ATOM 0 HZ PHE A 56 -20.154 2.367 5.177 1.00 0.00 H new ATOM 755 N SER A 57 -15.676 -0.626 1.553 1.00 0.00 N ATOM 756 CA SER A 57 -16.688 -0.750 0.463 1.00 0.00 C ATOM 757 C SER A 57 -17.465 0.566 0.310 1.00 0.00 C ATOM 758 O SER A 57 -18.617 0.572 -0.072 1.00 0.00 O ATOM 759 CB SER A 57 -17.649 -1.905 0.785 1.00 0.00 C ATOM 760 OG SER A 57 -18.064 -2.518 -0.430 1.00 0.00 O ATOM 0 H SER A 57 -14.712 -0.526 1.236 1.00 0.00 H new ATOM 0 HA SER A 57 -16.180 -0.961 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.157 -2.636 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.514 -1.532 1.333 1.00 0.00 H new ATOM 0 HG SER A 57 -18.676 -3.257 -0.231 1.00 0.00 H new ATOM 766 N GLY A 58 -16.844 1.678 0.596 1.00 0.00 N ATOM 767 CA GLY A 58 -17.554 2.983 0.455 1.00 0.00 C ATOM 768 C GLY A 58 -17.752 3.299 -1.029 1.00 0.00 C ATOM 769 O GLY A 58 -17.525 2.466 -1.885 1.00 0.00 O ATOM 0 H GLY A 58 -15.879 1.740 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -18.519 2.941 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.978 3.776 0.933 1.00 0.00 H new ATOM 773 N HIS A 59 -18.174 4.497 -1.344 1.00 0.00 N ATOM 774 CA HIS A 59 -18.387 4.868 -2.774 1.00 0.00 C ATOM 775 C HIS A 59 -18.206 6.378 -2.942 1.00 0.00 C ATOM 776 O HIS A 59 -17.560 6.840 -3.862 1.00 0.00 O ATOM 777 CB HIS A 59 -19.804 4.476 -3.198 1.00 0.00 C ATOM 778 CG HIS A 59 -20.793 4.986 -2.185 1.00 0.00 C ATOM 779 ND1 HIS A 59 -21.199 6.313 -2.146 1.00 0.00 N ATOM 780 CD2 HIS A 59 -21.468 4.358 -1.167 1.00 0.00 C ATOM 781 CE1 HIS A 59 -22.078 6.437 -1.135 1.00 0.00 C ATOM 782 NE2 HIS A 59 -22.279 5.276 -0.506 1.00 0.00 N ATOM 0 H HIS A 59 -18.380 5.235 -0.671 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.662 4.343 -3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.028 4.891 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.882 3.392 -3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.382 3.311 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.563 7.364 -0.865 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -22.895 5.100 0.288 1.00 0.00 H new TER 790 HIS A 59