USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=8 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= 0.196 K(o=0.45,f=-0.18) USER MOD Set 1.2: A 26 TYR OH : rot 3:sc= 0.0746 USER MOD Set 1.3: A 52 ASN : amide:sc= 0.177 K(o=0.45,f=-2.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.68! K(o=-3.7!,f=0.69) USER MOD Single : A 21 ASN : amide:sc= -0.0445 X(o=-0.045,f=-0.43) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -1.68! USER MOD Single : A 25 CYS SG : rot 14:sc= 0.711 USER MOD Single : A 31 THR OG1 : rot 170:sc= -0.342 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 89:sc= 0.279 USER MOD Single : A 50 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.15) USER MOD Single : A 57 SER OG : rot 4:sc= 1.05 USER MOD Single : A 59 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 6.514 2.870 11.340 1.00 0.00 N ATOM 2 CA ASP A 11 5.678 4.106 11.344 1.00 0.00 C ATOM 3 C ASP A 11 4.871 4.182 10.045 1.00 0.00 C ATOM 4 O ASP A 11 4.137 5.121 9.815 1.00 0.00 O ATOM 5 CB ASP A 11 6.583 5.335 11.451 1.00 0.00 C ATOM 6 CG ASP A 11 5.720 6.597 11.491 1.00 0.00 C ATOM 7 OD1 ASP A 11 4.777 6.623 12.265 1.00 0.00 O ATOM 8 OD2 ASP A 11 6.015 7.519 10.747 1.00 0.00 O ATOM 0 HA ASP A 11 4.997 4.079 12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.197 5.272 12.350 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.265 5.374 10.601 1.00 0.00 H new ATOM 13 N LEU A 12 5.006 3.203 9.195 1.00 0.00 N ATOM 14 CA LEU A 12 4.256 3.214 7.908 1.00 0.00 C ATOM 15 C LEU A 12 2.830 2.695 8.145 1.00 0.00 C ATOM 16 O LEU A 12 2.604 1.897 9.033 1.00 0.00 O ATOM 17 CB LEU A 12 4.979 2.288 6.925 1.00 0.00 C ATOM 18 CG LEU A 12 6.461 2.670 6.846 1.00 0.00 C ATOM 19 CD1 LEU A 12 7.159 1.768 5.824 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.601 4.141 6.417 1.00 0.00 C ATOM 0 H LEU A 12 5.607 2.391 9.337 1.00 0.00 H new ATOM 0 HA LEU A 12 4.206 4.226 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.878 1.251 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.522 2.362 5.938 1.00 0.00 H new ATOM 0 HG LEU A 12 6.921 2.541 7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.214 2.035 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.066 0.727 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.695 1.899 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.657 4.405 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.142 4.280 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.103 4.781 7.145 1.00 0.00 H new ATOM 32 N PRO A 13 1.870 3.129 7.358 1.00 0.00 N ATOM 33 CA PRO A 13 0.460 2.665 7.510 1.00 0.00 C ATOM 34 C PRO A 13 0.358 1.164 7.216 1.00 0.00 C ATOM 35 O PRO A 13 1.237 0.593 6.602 1.00 0.00 O ATOM 36 CB PRO A 13 -0.321 3.507 6.480 1.00 0.00 C ATOM 37 CG PRO A 13 0.700 3.936 5.473 1.00 0.00 C ATOM 38 CD PRO A 13 2.009 4.092 6.248 1.00 0.00 C ATOM 0 HA PRO A 13 0.069 2.794 8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.114 2.923 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.795 4.368 6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.801 3.196 4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.412 4.874 4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.874 3.864 5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.140 5.110 6.614 1.00 0.00 H new ATOM 46 N PRO A 14 -0.685 0.521 7.666 1.00 0.00 N ATOM 47 CA PRO A 14 -0.869 -0.944 7.458 1.00 0.00 C ATOM 48 C PRO A 14 -1.106 -1.294 5.987 1.00 0.00 C ATOM 49 O PRO A 14 -1.268 -0.427 5.153 1.00 0.00 O ATOM 50 CB PRO A 14 -2.093 -1.283 8.320 1.00 0.00 C ATOM 51 CG PRO A 14 -2.858 -0.006 8.395 1.00 0.00 C ATOM 52 CD PRO A 14 -1.810 1.109 8.409 1.00 0.00 C ATOM 0 HA PRO A 14 0.017 -1.514 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.689 -2.077 7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.798 -1.628 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.529 0.099 7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.476 0.027 9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.180 2.015 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.524 1.380 9.425 1.00 0.00 H new ATOM 60 N ASN A 15 -1.112 -2.559 5.667 1.00 0.00 N ATOM 61 CA ASN A 15 -1.325 -2.982 4.253 1.00 0.00 C ATOM 62 C ASN A 15 -0.265 -2.331 3.362 1.00 0.00 C ATOM 63 O ASN A 15 -0.283 -2.476 2.158 1.00 0.00 O ATOM 64 CB ASN A 15 -2.719 -2.560 3.778 1.00 0.00 C ATOM 65 CG ASN A 15 -3.779 -3.099 4.739 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.707 -4.232 5.169 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.767 -2.326 5.098 1.00 0.00 N ATOM 0 H ASN A 15 -0.978 -3.323 6.329 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.243 -4.067 4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.782 -1.473 3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.901 -2.939 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.479 -2.674 5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.827 -1.374 4.737 1.00 0.00 H new ATOM 74 N LEU A 16 0.664 -1.618 3.952 1.00 0.00 N ATOM 75 CA LEU A 16 1.745 -0.952 3.155 1.00 0.00 C ATOM 76 C LEU A 16 3.097 -1.303 3.774 1.00 0.00 C ATOM 77 O LEU A 16 3.275 -1.229 4.975 1.00 0.00 O ATOM 78 CB LEU A 16 1.539 0.567 3.189 1.00 0.00 C ATOM 79 CG LEU A 16 2.510 1.262 2.218 1.00 0.00 C ATOM 80 CD1 LEU A 16 2.113 0.975 0.756 1.00 0.00 C ATOM 81 CD2 LEU A 16 2.465 2.772 2.470 1.00 0.00 C ATOM 0 H LEU A 16 0.721 -1.467 4.959 1.00 0.00 H new ATOM 0 HA LEU A 16 1.713 -1.294 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.511 0.807 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.698 0.939 4.201 1.00 0.00 H new ATOM 0 HG LEU A 16 3.517 0.880 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.811 1.475 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.142 -0.100 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.105 1.347 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.150 3.275 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.452 3.139 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.761 2.978 3.498 1.00 0.00 H new ATOM 93 N TYR A 17 4.048 -1.705 2.967 1.00 0.00 N ATOM 94 CA TYR A 17 5.392 -2.083 3.506 1.00 0.00 C ATOM 95 C TYR A 17 6.495 -1.461 2.661 1.00 0.00 C ATOM 96 O TYR A 17 6.271 -0.554 1.883 1.00 0.00 O ATOM 97 CB TYR A 17 5.550 -3.601 3.448 1.00 0.00 C ATOM 98 CG TYR A 17 4.412 -4.253 4.185 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.198 -4.482 3.532 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.577 -4.631 5.518 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.142 -5.091 4.216 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.520 -5.241 6.206 1.00 0.00 C ATOM 103 CZ TYR A 17 2.302 -5.473 5.554 1.00 0.00 C ATOM 104 OH TYR A 17 1.261 -6.075 6.228 1.00 0.00 O ATOM 0 H TYR A 17 3.951 -1.788 1.955 1.00 0.00 H new ATOM 0 HA TYR A 17 5.467 -1.725 4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.565 -3.936 2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.501 -3.895 3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.076 -4.189 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.518 -4.454 6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.203 -5.267 3.713 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.644 -5.532 7.239 1.00 0.00 H new ATOM 0 HH TYR A 17 1.539 -6.277 7.146 1.00 0.00 H new ATOM 114 N ILE A 18 7.689 -1.969 2.809 1.00 0.00 N ATOM 115 CA ILE A 18 8.852 -1.455 2.021 1.00 0.00 C ATOM 116 C ILE A 18 9.600 -2.652 1.428 1.00 0.00 C ATOM 117 O ILE A 18 9.748 -3.677 2.062 1.00 0.00 O ATOM 118 CB ILE A 18 9.796 -0.660 2.945 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.860 0.088 2.102 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.494 -1.621 3.919 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.320 1.452 1.655 1.00 0.00 C ATOM 0 H ILE A 18 7.913 -2.729 3.451 1.00 0.00 H new ATOM 0 HA ILE A 18 8.503 -0.798 1.225 1.00 0.00 H new ATOM 0 HB ILE A 18 9.212 0.068 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 18 11.769 0.223 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.128 -0.508 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.161 -1.057 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.746 -2.135 4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.072 -2.354 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.077 1.967 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.424 1.308 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.075 2.051 2.532 1.00 0.00 H new ATOM 133 N ARG A 19 10.069 -2.534 0.221 1.00 0.00 N ATOM 134 CA ARG A 19 10.804 -3.665 -0.413 1.00 0.00 C ATOM 135 C ARG A 19 12.289 -3.553 -0.068 1.00 0.00 C ATOM 136 O ARG A 19 12.772 -2.497 0.288 1.00 0.00 O ATOM 137 CB ARG A 19 10.612 -3.591 -1.933 1.00 0.00 C ATOM 138 CG ARG A 19 10.949 -4.938 -2.574 1.00 0.00 C ATOM 139 CD ARG A 19 10.844 -4.804 -4.094 1.00 0.00 C ATOM 140 NE ARG A 19 9.571 -4.117 -4.443 1.00 0.00 N ATOM 141 CZ ARG A 19 9.405 -3.617 -5.637 1.00 0.00 C ATOM 142 NH1 ARG A 19 10.364 -3.698 -6.521 1.00 0.00 N ATOM 143 NH2 ARG A 19 8.283 -3.032 -5.945 1.00 0.00 N ATOM 0 H ARG A 19 9.976 -1.700 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 19 10.422 -4.617 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.582 -3.318 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.250 -2.812 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.955 -5.249 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.265 -5.708 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.693 -4.239 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.878 -5.789 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 19 8.828 -4.037 -3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.244 -4.153 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.232 -3.307 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.536 -2.965 -5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.151 -2.641 -6.878 1.00 0.00 H new ATOM 157 N ASN A 20 13.011 -4.634 -0.162 1.00 0.00 N ATOM 158 CA ASN A 20 14.466 -4.591 0.166 1.00 0.00 C ATOM 159 C ASN A 20 15.147 -3.547 -0.721 1.00 0.00 C ATOM 160 O ASN A 20 16.215 -3.054 -0.409 1.00 0.00 O ATOM 161 CB ASN A 20 15.082 -5.973 -0.077 1.00 0.00 C ATOM 162 CG ASN A 20 14.445 -6.594 -1.317 1.00 0.00 C ATOM 163 OD1 ASN A 20 15.050 -6.635 -2.369 1.00 0.00 O ATOM 164 ND2 ASN A 20 13.236 -7.079 -1.238 1.00 0.00 N ATOM 0 H ASN A 20 12.658 -5.546 -0.452 1.00 0.00 H new ATOM 0 HA ASN A 20 14.606 -4.320 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.160 -5.885 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 20 14.920 -6.614 0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.798 -7.493 -2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.729 -7.044 -0.354 1.00 0.00 H new ATOM 171 N ASN A 21 14.527 -3.191 -1.813 1.00 0.00 N ATOM 172 CA ASN A 21 15.118 -2.166 -2.713 1.00 0.00 C ATOM 173 C ASN A 21 14.676 -0.790 -2.215 1.00 0.00 C ATOM 174 O ASN A 21 15.063 0.235 -2.740 1.00 0.00 O ATOM 175 CB ASN A 21 14.595 -2.382 -4.136 1.00 0.00 C ATOM 176 CG ASN A 21 15.327 -3.555 -4.787 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.540 -3.620 -4.759 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.634 -4.492 -5.376 1.00 0.00 N ATOM 0 H ASN A 21 13.631 -3.570 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 21 16.206 -2.240 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.523 -2.579 -4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.740 -1.478 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.111 -5.280 -5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.616 -4.436 -5.398 1.00 0.00 H new ATOM 185 N GLY A 22 13.861 -0.770 -1.193 1.00 0.00 N ATOM 186 CA GLY A 22 13.373 0.522 -0.633 1.00 0.00 C ATOM 187 C GLY A 22 12.123 0.970 -1.395 1.00 0.00 C ATOM 188 O GLY A 22 11.660 2.081 -1.247 1.00 0.00 O ATOM 0 H GLY A 22 13.510 -1.602 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.144 0.408 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.151 1.281 -0.711 1.00 0.00 H new ATOM 192 N TYR A 23 11.569 0.107 -2.207 1.00 0.00 N ATOM 193 CA TYR A 23 10.341 0.478 -2.976 1.00 0.00 C ATOM 194 C TYR A 23 9.112 0.187 -2.105 1.00 0.00 C ATOM 195 O TYR A 23 9.058 -0.806 -1.410 1.00 0.00 O ATOM 196 CB TYR A 23 10.281 -0.362 -4.273 1.00 0.00 C ATOM 197 CG TYR A 23 10.937 0.386 -5.414 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.331 0.503 -5.465 1.00 0.00 C ATOM 199 CD2 TYR A 23 10.149 0.959 -6.419 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.934 1.195 -6.520 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.753 1.652 -7.475 1.00 0.00 C ATOM 202 CZ TYR A 23 12.147 1.770 -7.524 1.00 0.00 C ATOM 203 OH TYR A 23 12.745 2.455 -8.562 1.00 0.00 O ATOM 0 H TYR A 23 11.913 -0.839 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 23 10.361 1.536 -3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.783 -1.317 -4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.244 -0.584 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.940 0.060 -4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.074 0.866 -6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.009 1.286 -6.560 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.145 2.095 -8.250 1.00 0.00 H new ATOM 0 HH TYR A 23 12.056 2.790 -9.173 1.00 0.00 H new ATOM 213 N TYR A 24 8.124 1.042 -2.130 1.00 0.00 N ATOM 214 CA TYR A 24 6.916 0.797 -1.292 1.00 0.00 C ATOM 215 C TYR A 24 5.987 -0.185 -2.012 1.00 0.00 C ATOM 216 O TYR A 24 5.966 -0.258 -3.224 1.00 0.00 O ATOM 217 CB TYR A 24 6.182 2.117 -1.072 1.00 0.00 C ATOM 218 CG TYR A 24 7.010 3.019 -0.179 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.173 2.701 1.177 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.607 4.174 -0.702 1.00 0.00 C ATOM 221 CE1 TYR A 24 7.937 3.535 2.007 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.369 5.007 0.130 1.00 0.00 C ATOM 223 CZ TYR A 24 8.532 4.688 1.483 1.00 0.00 C ATOM 224 OH TYR A 24 9.277 5.515 2.303 1.00 0.00 O ATOM 0 H TYR A 24 8.102 1.894 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 24 7.216 0.377 -0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.998 2.606 -2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.209 1.932 -0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.710 1.814 1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.480 4.423 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.066 3.287 3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.831 5.896 -0.274 1.00 0.00 H new ATOM 0 HH TYR A 24 9.808 6.128 1.753 1.00 0.00 H new ATOM 234 N CYS A 25 5.223 -0.947 -1.269 1.00 0.00 N ATOM 235 CA CYS A 25 4.301 -1.936 -1.910 1.00 0.00 C ATOM 236 C CYS A 25 3.024 -2.086 -1.075 1.00 0.00 C ATOM 237 O CYS A 25 3.074 -2.244 0.127 1.00 0.00 O ATOM 238 CB CYS A 25 5.005 -3.294 -1.994 1.00 0.00 C ATOM 239 SG CYS A 25 5.117 -4.023 -0.340 1.00 0.00 S ATOM 0 H CYS A 25 5.197 -0.928 -0.250 1.00 0.00 H new ATOM 0 HA CYS A 25 4.037 -1.585 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.455 -3.960 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.002 -3.173 -2.417 1.00 0.00 H new ATOM 0 HG CYS A 25 4.326 -3.384 0.470 1.00 0.00 H new ATOM 245 N TYR A 26 1.879 -2.055 -1.711 1.00 0.00 N ATOM 246 CA TYR A 26 0.594 -2.213 -0.962 1.00 0.00 C ATOM 247 C TYR A 26 0.148 -3.669 -1.052 1.00 0.00 C ATOM 248 O TYR A 26 0.227 -4.287 -2.096 1.00 0.00 O ATOM 249 CB TYR A 26 -0.480 -1.321 -1.586 1.00 0.00 C ATOM 250 CG TYR A 26 -1.754 -1.406 -0.777 1.00 0.00 C ATOM 251 CD1 TYR A 26 -1.916 -0.597 0.355 1.00 0.00 C ATOM 252 CD2 TYR A 26 -2.775 -2.284 -1.161 1.00 0.00 C ATOM 253 CE1 TYR A 26 -3.097 -0.663 1.102 1.00 0.00 C ATOM 254 CE2 TYR A 26 -3.959 -2.350 -0.412 1.00 0.00 C ATOM 255 CZ TYR A 26 -4.119 -1.540 0.719 1.00 0.00 C ATOM 256 OH TYR A 26 -5.284 -1.605 1.454 1.00 0.00 O ATOM 0 H TYR A 26 1.779 -1.927 -2.718 1.00 0.00 H new ATOM 0 HA TYR A 26 0.740 -1.927 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.131 -0.289 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.670 -1.631 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.128 0.079 0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.651 -2.909 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.220 -0.038 1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.748 -3.026 -0.708 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.255 -0.940 2.173 1.00 0.00 H new ATOM 266 N ARG A 27 -0.315 -4.223 0.039 1.00 0.00 N ATOM 267 CA ARG A 27 -0.765 -5.654 0.039 1.00 0.00 C ATOM 268 C ARG A 27 -2.287 -5.726 0.155 1.00 0.00 C ATOM 269 O ARG A 27 -2.863 -5.350 1.158 1.00 0.00 O ATOM 270 CB ARG A 27 -0.145 -6.385 1.234 1.00 0.00 C ATOM 271 CG ARG A 27 -0.734 -7.805 1.349 1.00 0.00 C ATOM 272 CD ARG A 27 0.257 -8.724 2.071 1.00 0.00 C ATOM 273 NE ARG A 27 1.330 -9.116 1.115 1.00 0.00 N ATOM 274 CZ ARG A 27 2.432 -9.665 1.547 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.597 -9.899 2.820 1.00 0.00 N ATOM 276 NH2 ARG A 27 3.370 -9.987 0.699 1.00 0.00 N ATOM 0 H ARG A 27 -0.402 -3.746 0.936 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.448 -6.122 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.937 -6.440 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.337 -5.828 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.678 -7.774 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.952 -8.199 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.687 -8.213 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.255 -9.609 2.448 1.00 0.00 H new ATOM 0 HE ARG A 27 1.202 -8.954 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.862 -9.653 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.461 -10.328 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.240 -9.809 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.233 -10.416 1.032 1.00 0.00 H new ATOM 290 N ASP A 28 -2.942 -6.223 -0.855 1.00 0.00 N ATOM 291 CA ASP A 28 -4.425 -6.335 -0.784 1.00 0.00 C ATOM 292 C ASP A 28 -4.786 -7.440 0.235 1.00 0.00 C ATOM 293 O ASP A 28 -4.105 -8.442 0.316 1.00 0.00 O ATOM 294 CB ASP A 28 -4.975 -6.710 -2.173 1.00 0.00 C ATOM 295 CG ASP A 28 -5.248 -5.441 -2.986 1.00 0.00 C ATOM 296 OD1 ASP A 28 -4.730 -4.401 -2.617 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.979 -5.532 -3.959 1.00 0.00 O ATOM 0 H ASP A 28 -2.519 -6.555 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.861 -5.386 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.259 -7.342 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.893 -7.288 -2.066 1.00 0.00 H new ATOM 302 N PRO A 29 -5.839 -7.271 1.011 1.00 0.00 N ATOM 303 CA PRO A 29 -6.259 -8.288 2.025 1.00 0.00 C ATOM 304 C PRO A 29 -7.132 -9.414 1.435 1.00 0.00 C ATOM 305 O PRO A 29 -7.431 -10.385 2.104 1.00 0.00 O ATOM 306 CB PRO A 29 -7.076 -7.447 3.002 1.00 0.00 C ATOM 307 CG PRO A 29 -7.773 -6.472 2.116 1.00 0.00 C ATOM 308 CD PRO A 29 -6.751 -6.102 1.036 1.00 0.00 C ATOM 0 HA PRO A 29 -5.406 -8.808 2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.783 -8.057 3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.439 -6.945 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.668 -6.911 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.091 -5.591 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.228 -5.944 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.220 -5.183 1.284 1.00 0.00 H new ATOM 316 N ARG A 30 -7.559 -9.290 0.204 1.00 0.00 N ATOM 317 CA ARG A 30 -8.425 -10.355 -0.402 1.00 0.00 C ATOM 318 C ARG A 30 -7.554 -11.412 -1.084 1.00 0.00 C ATOM 319 O ARG A 30 -7.966 -12.542 -1.263 1.00 0.00 O ATOM 320 CB ARG A 30 -9.359 -9.728 -1.444 1.00 0.00 C ATOM 321 CG ARG A 30 -10.231 -10.819 -2.078 1.00 0.00 C ATOM 322 CD ARG A 30 -11.259 -10.173 -3.005 1.00 0.00 C ATOM 323 NE ARG A 30 -10.549 -9.483 -4.117 1.00 0.00 N ATOM 324 CZ ARG A 30 -11.215 -9.057 -5.156 1.00 0.00 C ATOM 325 NH1 ARG A 30 -12.514 -9.187 -5.196 1.00 0.00 N ATOM 326 NH2 ARG A 30 -10.583 -8.489 -6.146 1.00 0.00 N ATOM 0 H ARG A 30 -7.348 -8.502 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.013 -10.823 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.989 -8.972 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.775 -9.223 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.609 -11.518 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.736 -11.393 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.934 -10.930 -3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.870 -9.461 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.540 -9.343 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.007 -9.621 -4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.035 -8.854 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.570 -8.378 -6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.102 -8.156 -6.958 1.00 0.00 H new ATOM 340 N THR A 31 -6.361 -11.051 -1.482 1.00 0.00 N ATOM 341 CA THR A 31 -5.455 -12.024 -2.177 1.00 0.00 C ATOM 342 C THR A 31 -4.101 -12.058 -1.466 1.00 0.00 C ATOM 343 O THR A 31 -3.362 -13.020 -1.562 1.00 0.00 O ATOM 344 CB THR A 31 -5.260 -11.570 -3.626 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.027 -12.074 -4.116 1.00 0.00 O ATOM 346 CG2 THR A 31 -5.254 -10.039 -3.689 1.00 0.00 C ATOM 0 H THR A 31 -5.970 -10.117 -1.356 1.00 0.00 H new ATOM 0 HA THR A 31 -5.896 -13.021 -2.157 1.00 0.00 H new ATOM 0 HB THR A 31 -6.076 -11.951 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.973 -11.924 -5.083 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.115 -9.718 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.203 -9.656 -3.314 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.440 -9.653 -3.076 1.00 0.00 H new ATOM 354 N GLY A 32 -3.774 -11.021 -0.746 1.00 0.00 N ATOM 355 CA GLY A 32 -2.475 -10.993 -0.018 1.00 0.00 C ATOM 356 C GLY A 32 -1.327 -10.710 -0.991 1.00 0.00 C ATOM 357 O GLY A 32 -0.177 -10.659 -0.601 1.00 0.00 O ATOM 0 H GLY A 32 -4.353 -10.189 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.501 -10.227 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.310 -11.947 0.482 1.00 0.00 H new ATOM 361 N LYS A 33 -1.618 -10.523 -2.249 1.00 0.00 N ATOM 362 CA LYS A 33 -0.524 -10.242 -3.225 1.00 0.00 C ATOM 363 C LYS A 33 -0.038 -8.804 -3.010 1.00 0.00 C ATOM 364 O LYS A 33 -0.531 -8.103 -2.149 1.00 0.00 O ATOM 365 CB LYS A 33 -1.063 -10.441 -4.665 1.00 0.00 C ATOM 366 CG LYS A 33 -0.194 -11.450 -5.436 1.00 0.00 C ATOM 367 CD LYS A 33 1.179 -10.836 -5.734 1.00 0.00 C ATOM 368 CE LYS A 33 1.883 -11.662 -6.816 1.00 0.00 C ATOM 369 NZ LYS A 33 3.305 -11.234 -6.922 1.00 0.00 N ATOM 0 H LYS A 33 -2.559 -10.552 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 33 0.314 -10.924 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.093 -10.795 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.073 -9.486 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.075 -12.362 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.686 -11.730 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.064 -9.804 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.784 -10.813 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.829 -12.723 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.380 -11.530 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.782 -11.795 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.346 -10.226 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.781 -11.382 -6.009 1.00 0.00 H new ATOM 383 N GLU A 34 0.935 -8.365 -3.775 1.00 0.00 N ATOM 384 CA GLU A 34 1.470 -6.974 -3.604 1.00 0.00 C ATOM 385 C GLU A 34 1.564 -6.262 -4.958 1.00 0.00 C ATOM 386 O GLU A 34 1.599 -6.882 -6.003 1.00 0.00 O ATOM 387 CB GLU A 34 2.865 -7.051 -2.981 1.00 0.00 C ATOM 388 CG GLU A 34 2.841 -8.017 -1.795 1.00 0.00 C ATOM 389 CD GLU A 34 4.170 -7.937 -1.041 1.00 0.00 C ATOM 390 OE1 GLU A 34 5.185 -8.267 -1.631 1.00 0.00 O ATOM 391 OE2 GLU A 34 4.149 -7.550 0.116 1.00 0.00 O ATOM 0 H GLU A 34 1.383 -8.911 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 34 0.795 -6.412 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.588 -7.388 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.183 -6.062 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.017 -7.768 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.671 -9.035 -2.146 1.00 0.00 H new ATOM 398 N PHE A 35 1.626 -4.953 -4.933 1.00 0.00 N ATOM 399 CA PHE A 35 1.743 -4.158 -6.199 1.00 0.00 C ATOM 400 C PHE A 35 2.762 -3.028 -5.974 1.00 0.00 C ATOM 401 O PHE A 35 2.644 -2.251 -5.047 1.00 0.00 O ATOM 402 CB PHE A 35 0.376 -3.555 -6.572 1.00 0.00 C ATOM 403 CG PHE A 35 -0.731 -4.480 -6.131 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.228 -4.397 -4.826 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.268 -5.412 -7.027 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.260 -5.248 -4.414 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.300 -6.263 -6.615 1.00 0.00 C ATOM 408 CZ PHE A 35 -2.797 -6.181 -5.309 1.00 0.00 C ATOM 0 H PHE A 35 1.600 -4.394 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 35 2.072 -4.805 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.257 -2.580 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.321 -3.395 -7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.815 -3.676 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.886 -5.474 -8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.642 -5.185 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.713 -6.984 -7.305 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.594 -6.837 -4.992 1.00 0.00 H new ATOM 418 N GLY A 36 3.766 -2.935 -6.806 1.00 0.00 N ATOM 419 CA GLY A 36 4.791 -1.864 -6.623 1.00 0.00 C ATOM 420 C GLY A 36 4.168 -0.483 -6.851 1.00 0.00 C ATOM 421 O GLY A 36 3.479 -0.252 -7.826 1.00 0.00 O ATOM 0 H GLY A 36 3.921 -3.553 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.209 -1.920 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.615 -2.018 -7.320 1.00 0.00 H new ATOM 425 N LEU A 37 4.421 0.444 -5.957 1.00 0.00 N ATOM 426 CA LEU A 37 3.861 1.827 -6.102 1.00 0.00 C ATOM 427 C LEU A 37 4.977 2.767 -6.547 1.00 0.00 C ATOM 428 O LEU A 37 4.824 3.552 -7.462 1.00 0.00 O ATOM 429 CB LEU A 37 3.330 2.314 -4.745 1.00 0.00 C ATOM 430 CG LEU A 37 2.562 1.190 -4.048 1.00 0.00 C ATOM 431 CD1 LEU A 37 2.009 1.690 -2.705 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.408 0.731 -4.945 1.00 0.00 C ATOM 0 H LEU A 37 4.996 0.301 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 37 3.053 1.816 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.159 2.642 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.678 3.176 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 37 3.235 0.352 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.463 0.885 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.834 2.010 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.337 2.531 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.859 -0.070 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.737 1.569 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.806 0.367 -5.892 1.00 0.00 H new ATOM 444 N GLY A 38 6.097 2.691 -5.890 1.00 0.00 N ATOM 445 CA GLY A 38 7.248 3.574 -6.235 1.00 0.00 C ATOM 446 C GLY A 38 7.987 3.917 -4.947 1.00 0.00 C ATOM 447 O GLY A 38 7.624 3.469 -3.879 1.00 0.00 O ATOM 0 H GLY A 38 6.269 2.047 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.916 3.072 -6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.897 4.482 -6.725 1.00 0.00 H new ATOM 451 N ARG A 39 9.020 4.701 -5.028 1.00 0.00 N ATOM 452 CA ARG A 39 9.775 5.063 -3.797 1.00 0.00 C ATOM 453 C ARG A 39 9.203 6.351 -3.213 1.00 0.00 C ATOM 454 O ARG A 39 9.781 6.956 -2.332 1.00 0.00 O ATOM 455 CB ARG A 39 11.232 5.295 -4.160 1.00 0.00 C ATOM 456 CG ARG A 39 11.758 4.125 -4.990 1.00 0.00 C ATOM 457 CD ARG A 39 13.178 4.443 -5.448 1.00 0.00 C ATOM 458 NE ARG A 39 14.076 4.512 -4.260 1.00 0.00 N ATOM 459 CZ ARG A 39 15.371 4.469 -4.417 1.00 0.00 C ATOM 460 NH1 ARG A 39 15.874 4.333 -5.611 1.00 0.00 N ATOM 461 NH2 ARG A 39 16.159 4.558 -3.376 1.00 0.00 N ATOM 0 H ARG A 39 9.376 5.108 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 39 9.693 4.258 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.332 6.224 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.828 5.405 -3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.749 3.209 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.113 3.954 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.529 3.677 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.195 5.391 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 39 13.678 4.593 -3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.256 4.261 -6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.886 4.299 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.761 4.661 -2.442 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.171 4.524 -3.498 1.00 0.00 H new ATOM 475 N ASP A 40 8.074 6.783 -3.706 1.00 0.00 N ATOM 476 CA ASP A 40 7.461 8.043 -3.191 1.00 0.00 C ATOM 477 C ASP A 40 6.483 7.720 -2.061 1.00 0.00 C ATOM 478 O ASP A 40 5.362 7.308 -2.280 1.00 0.00 O ATOM 479 CB ASP A 40 6.720 8.750 -4.328 1.00 0.00 C ATOM 480 CG ASP A 40 7.738 9.288 -5.336 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.567 8.511 -5.782 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.672 10.466 -5.645 1.00 0.00 O ATOM 0 H ASP A 40 7.548 6.317 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 40 8.245 8.695 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.036 8.057 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.116 9.567 -3.932 1.00 0.00 H new ATOM 487 N ARG A 41 6.923 7.912 -0.849 1.00 0.00 N ATOM 488 CA ARG A 41 6.072 7.636 0.343 1.00 0.00 C ATOM 489 C ARG A 41 4.804 8.491 0.287 1.00 0.00 C ATOM 490 O ARG A 41 3.811 8.194 0.923 1.00 0.00 O ATOM 491 CB ARG A 41 6.894 7.988 1.587 1.00 0.00 C ATOM 492 CG ARG A 41 6.074 7.757 2.851 1.00 0.00 C ATOM 493 CD ARG A 41 6.994 7.876 4.068 1.00 0.00 C ATOM 494 NE ARG A 41 7.979 6.762 4.038 1.00 0.00 N ATOM 495 CZ ARG A 41 9.021 6.781 4.822 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.178 7.743 5.691 1.00 0.00 N ATOM 497 NH2 ARG A 41 9.906 5.829 4.741 1.00 0.00 N ATOM 0 H ARG A 41 7.858 8.256 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 41 5.772 6.588 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.798 7.380 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.212 9.030 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.267 8.487 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.610 6.771 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.510 8.836 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.410 7.838 4.987 1.00 0.00 H new ATOM 0 HE ARG A 41 7.839 5.978 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.483 8.486 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.996 7.751 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.782 5.074 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.723 5.839 5.352 1.00 0.00 H new ATOM 511 N ARG A 42 4.834 9.545 -0.475 1.00 0.00 N ATOM 512 CA ARG A 42 3.642 10.428 -0.594 1.00 0.00 C ATOM 513 C ARG A 42 2.619 9.768 -1.510 1.00 0.00 C ATOM 514 O ARG A 42 1.449 9.671 -1.196 1.00 0.00 O ATOM 515 CB ARG A 42 4.061 11.773 -1.194 1.00 0.00 C ATOM 516 CG ARG A 42 5.231 12.352 -0.389 1.00 0.00 C ATOM 517 CD ARG A 42 4.782 12.677 1.050 1.00 0.00 C ATOM 518 NE ARG A 42 5.487 13.908 1.531 1.00 0.00 N ATOM 519 CZ ARG A 42 6.777 14.058 1.375 1.00 0.00 C ATOM 520 NH1 ARG A 42 7.509 13.071 0.937 1.00 0.00 N ATOM 521 NH2 ARG A 42 7.343 15.187 1.710 1.00 0.00 N ATOM 0 H ARG A 42 5.641 9.836 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 42 3.207 10.588 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.352 11.643 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.220 12.466 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.055 11.639 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.603 13.255 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.703 12.829 1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.004 11.838 1.709 1.00 0.00 H new ATOM 0 HE ARG A 42 4.950 14.644 1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.076 12.175 0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.514 13.195 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.779 15.947 2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.349 15.309 1.590 1.00 0.00 H new ATOM 535 N ILE A 43 3.062 9.323 -2.653 1.00 0.00 N ATOM 536 CA ILE A 43 2.134 8.674 -3.610 1.00 0.00 C ATOM 537 C ILE A 43 1.816 7.264 -3.122 1.00 0.00 C ATOM 538 O ILE A 43 0.714 6.787 -3.258 1.00 0.00 O ATOM 539 CB ILE A 43 2.783 8.603 -4.995 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.261 9.996 -5.414 1.00 0.00 C ATOM 541 CG2 ILE A 43 1.764 8.097 -6.021 1.00 0.00 C ATOM 542 CD1 ILE A 43 4.079 9.882 -6.699 1.00 0.00 C ATOM 0 H ILE A 43 4.032 9.383 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 43 1.215 9.256 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 43 3.631 7.920 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.407 10.655 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.865 10.439 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.231 8.049 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.421 7.103 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.914 8.779 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.422 10.872 -7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.940 9.237 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.459 9.456 -7.488 1.00 0.00 H new ATOM 554 N ALA A 44 2.776 6.595 -2.554 1.00 0.00 N ATOM 555 CA ALA A 44 2.531 5.213 -2.057 1.00 0.00 C ATOM 556 C ALA A 44 1.473 5.252 -0.949 1.00 0.00 C ATOM 557 O ALA A 44 0.463 4.581 -1.020 1.00 0.00 O ATOM 558 CB ALA A 44 3.848 4.648 -1.515 1.00 0.00 C ATOM 0 H ALA A 44 3.723 6.945 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 44 2.168 4.577 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.685 3.635 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.591 4.629 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.206 5.277 -0.700 1.00 0.00 H new ATOM 564 N ILE A 45 1.700 6.031 0.069 1.00 0.00 N ATOM 565 CA ILE A 45 0.712 6.117 1.179 1.00 0.00 C ATOM 566 C ILE A 45 -0.653 6.551 0.627 1.00 0.00 C ATOM 567 O ILE A 45 -1.682 6.054 1.037 1.00 0.00 O ATOM 568 CB ILE A 45 1.211 7.135 2.212 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.406 6.533 2.966 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.080 7.469 3.195 1.00 0.00 C ATOM 571 CD1 ILE A 45 2.961 7.551 3.965 1.00 0.00 C ATOM 0 H ILE A 45 2.529 6.614 0.181 1.00 0.00 H new ATOM 0 HA ILE A 45 0.602 5.142 1.653 1.00 0.00 H new ATOM 0 HB ILE A 45 1.522 8.052 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.098 5.628 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.184 6.243 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.437 8.192 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.764 7.891 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.237 6.560 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.808 7.116 4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.287 8.444 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.184 7.819 4.681 1.00 0.00 H new ATOM 583 N THR A 46 -0.671 7.473 -0.293 1.00 0.00 N ATOM 584 CA THR A 46 -1.970 7.936 -0.861 1.00 0.00 C ATOM 585 C THR A 46 -2.786 6.714 -1.295 1.00 0.00 C ATOM 586 O THR A 46 -3.937 6.557 -0.937 1.00 0.00 O ATOM 587 CB THR A 46 -1.677 8.854 -2.065 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.496 10.184 -1.596 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.831 8.826 -3.076 1.00 0.00 C ATOM 0 H THR A 46 0.157 7.927 -0.678 1.00 0.00 H new ATOM 0 HA THR A 46 -2.543 8.492 -0.120 1.00 0.00 H new ATOM 0 HB THR A 46 -0.776 8.498 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.554 10.325 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.597 9.482 -3.914 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.971 7.808 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.746 9.167 -2.593 1.00 0.00 H new ATOM 597 N GLU A 47 -2.193 5.858 -2.068 1.00 0.00 N ATOM 598 CA GLU A 47 -2.912 4.645 -2.543 1.00 0.00 C ATOM 599 C GLU A 47 -3.289 3.781 -1.346 1.00 0.00 C ATOM 600 O GLU A 47 -4.345 3.186 -1.302 1.00 0.00 O ATOM 601 CB GLU A 47 -1.981 3.856 -3.458 1.00 0.00 C ATOM 602 CG GLU A 47 -1.505 4.759 -4.585 1.00 0.00 C ATOM 603 CD GLU A 47 -2.692 5.148 -5.466 1.00 0.00 C ATOM 604 OE1 GLU A 47 -3.278 4.260 -6.063 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.996 6.328 -5.528 1.00 0.00 O ATOM 0 H GLU A 47 -1.231 5.945 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.815 4.932 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.128 3.480 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.501 2.989 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.035 5.653 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.749 4.247 -5.181 1.00 0.00 H new ATOM 612 N ALA A 48 -2.428 3.712 -0.377 1.00 0.00 N ATOM 613 CA ALA A 48 -2.731 2.883 0.826 1.00 0.00 C ATOM 614 C ALA A 48 -4.030 3.375 1.472 1.00 0.00 C ATOM 615 O ALA A 48 -4.934 2.610 1.739 1.00 0.00 O ATOM 616 CB ALA A 48 -1.589 3.001 1.842 1.00 0.00 C ATOM 0 H ALA A 48 -1.528 4.191 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.840 1.842 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.817 2.393 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.661 2.651 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.476 4.043 2.143 1.00 0.00 H new ATOM 622 N ILE A 49 -4.118 4.647 1.737 1.00 0.00 N ATOM 623 CA ILE A 49 -5.343 5.206 2.378 1.00 0.00 C ATOM 624 C ILE A 49 -6.569 4.967 1.497 1.00 0.00 C ATOM 625 O ILE A 49 -7.595 4.503 1.951 1.00 0.00 O ATOM 626 CB ILE A 49 -5.154 6.708 2.591 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.931 6.939 3.488 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.403 7.293 3.259 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.476 8.397 3.368 1.00 0.00 C ATOM 0 H ILE A 49 -3.388 5.331 1.536 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.501 4.708 3.335 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.000 7.199 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.178 6.708 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.122 6.269 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.267 8.364 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.270 7.124 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.562 6.808 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.607 8.561 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.212 8.612 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.285 9.057 3.681 1.00 0.00 H new ATOM 641 N GLN A 50 -6.480 5.282 0.242 1.00 0.00 N ATOM 642 CA GLN A 50 -7.646 5.073 -0.659 1.00 0.00 C ATOM 643 C GLN A 50 -8.021 3.601 -0.614 1.00 0.00 C ATOM 644 O GLN A 50 -9.176 3.236 -0.517 1.00 0.00 O ATOM 645 CB GLN A 50 -7.259 5.442 -2.094 1.00 0.00 C ATOM 646 CG GLN A 50 -6.685 6.872 -2.149 1.00 0.00 C ATOM 647 CD GLN A 50 -7.806 7.882 -2.428 1.00 0.00 C ATOM 648 OE1 GLN A 50 -8.518 7.762 -3.405 1.00 0.00 O ATOM 649 NE2 GLN A 50 -7.993 8.877 -1.606 1.00 0.00 N ATOM 0 H GLN A 50 -5.651 5.676 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.482 5.695 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.522 4.733 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.132 5.369 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.196 7.112 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.925 6.937 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.396 8.979 -0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.736 9.553 -1.784 1.00 0.00 H new ATOM 658 N ALA A 51 -7.038 2.755 -0.673 1.00 0.00 N ATOM 659 CA ALA A 51 -7.304 1.295 -0.626 1.00 0.00 C ATOM 660 C ALA A 51 -7.923 0.952 0.725 1.00 0.00 C ATOM 661 O ALA A 51 -8.734 0.056 0.841 1.00 0.00 O ATOM 662 CB ALA A 51 -5.991 0.533 -0.804 1.00 0.00 C ATOM 0 H ALA A 51 -6.054 3.013 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.989 1.013 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.185 -0.539 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.548 0.791 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.302 0.803 -0.003 1.00 0.00 H new ATOM 668 N ASN A 52 -7.546 1.662 1.751 1.00 0.00 N ATOM 669 CA ASN A 52 -8.116 1.381 3.091 1.00 0.00 C ATOM 670 C ASN A 52 -9.590 1.801 3.119 1.00 0.00 C ATOM 671 O ASN A 52 -10.443 1.077 3.591 1.00 0.00 O ATOM 672 CB ASN A 52 -7.338 2.164 4.146 1.00 0.00 C ATOM 673 CG ASN A 52 -5.981 1.494 4.393 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.731 0.406 3.915 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.086 2.106 5.120 1.00 0.00 N ATOM 0 H ASN A 52 -6.868 2.423 1.717 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.042 0.314 3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.192 3.192 3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.908 2.206 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.179 1.670 5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.294 3.020 5.522 1.00 0.00 H new ATOM 682 N ILE A 53 -9.894 2.964 2.614 1.00 0.00 N ATOM 683 CA ILE A 53 -11.309 3.426 2.610 1.00 0.00 C ATOM 684 C ILE A 53 -12.107 2.581 1.621 1.00 0.00 C ATOM 685 O ILE A 53 -13.253 2.245 1.851 1.00 0.00 O ATOM 686 CB ILE A 53 -11.364 4.896 2.187 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.523 5.733 3.156 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.815 5.390 2.210 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.502 7.196 2.699 1.00 0.00 C ATOM 0 H ILE A 53 -9.223 3.614 2.204 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.733 3.322 3.609 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.968 4.996 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.935 5.663 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.506 5.342 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.848 6.437 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.413 4.794 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.217 5.290 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.902 7.785 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.069 7.259 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.520 7.585 2.678 1.00 0.00 H new ATOM 701 N GLU A 54 -11.509 2.236 0.517 1.00 0.00 N ATOM 702 CA GLU A 54 -12.230 1.416 -0.487 1.00 0.00 C ATOM 703 C GLU A 54 -12.452 0.015 0.072 1.00 0.00 C ATOM 704 O GLU A 54 -13.339 -0.700 -0.350 1.00 0.00 O ATOM 705 CB GLU A 54 -11.398 1.325 -1.763 1.00 0.00 C ATOM 706 CG GLU A 54 -11.386 2.686 -2.454 1.00 0.00 C ATOM 707 CD GLU A 54 -10.305 2.701 -3.535 1.00 0.00 C ATOM 708 OE1 GLU A 54 -10.583 2.242 -4.630 1.00 0.00 O ATOM 709 OE2 GLU A 54 -9.218 3.171 -3.249 1.00 0.00 O ATOM 0 H GLU A 54 -10.552 2.487 0.268 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.191 1.878 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.380 1.015 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.814 0.569 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.361 2.889 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.197 3.474 -1.725 1.00 0.00 H new ATOM 716 N LEU A 55 -11.655 -0.389 1.023 1.00 0.00 N ATOM 717 CA LEU A 55 -11.834 -1.746 1.600 1.00 0.00 C ATOM 718 C LEU A 55 -13.215 -1.811 2.273 1.00 0.00 C ATOM 719 O LEU A 55 -13.703 -2.871 2.611 1.00 0.00 O ATOM 720 CB LEU A 55 -10.702 -2.009 2.627 1.00 0.00 C ATOM 721 CG LEU A 55 -10.042 -3.386 2.397 1.00 0.00 C ATOM 722 CD1 LEU A 55 -11.086 -4.501 2.575 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.414 -3.457 0.983 1.00 0.00 C ATOM 0 H LEU A 55 -10.893 0.160 1.422 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.782 -2.511 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.949 -1.225 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.107 -1.962 3.638 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.248 -3.523 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.615 -5.470 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.492 -4.461 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.892 -4.363 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.953 -4.434 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.190 -3.307 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.656 -2.680 0.882 1.00 0.00 H new ATOM 735 N PHE A 56 -13.845 -0.671 2.458 1.00 0.00 N ATOM 736 CA PHE A 56 -15.198 -0.625 3.102 1.00 0.00 C ATOM 737 C PHE A 56 -16.208 -0.059 2.089 1.00 0.00 C ATOM 738 O PHE A 56 -17.367 -0.423 2.089 1.00 0.00 O ATOM 739 CB PHE A 56 -15.110 0.271 4.362 1.00 0.00 C ATOM 740 CG PHE A 56 -16.425 0.980 4.638 1.00 0.00 C ATOM 741 CD1 PHE A 56 -16.787 2.090 3.868 1.00 0.00 C ATOM 742 CD2 PHE A 56 -17.270 0.531 5.660 1.00 0.00 C ATOM 743 CE1 PHE A 56 -17.996 2.753 4.116 1.00 0.00 C ATOM 744 CE2 PHE A 56 -18.479 1.194 5.909 1.00 0.00 C ATOM 745 CZ PHE A 56 -18.843 2.304 5.138 1.00 0.00 C ATOM 0 H PHE A 56 -13.473 0.239 2.186 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.527 -1.620 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.837 -0.338 5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -14.319 1.009 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -16.134 2.437 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -16.990 -0.325 6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -18.275 3.609 3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -19.131 0.848 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 56 -19.775 2.814 5.331 1.00 0.00 H new ATOM 755 N SER A 57 -15.775 0.835 1.235 1.00 0.00 N ATOM 756 CA SER A 57 -16.707 1.438 0.226 1.00 0.00 C ATOM 757 C SER A 57 -16.519 0.749 -1.128 1.00 0.00 C ATOM 758 O SER A 57 -16.187 1.378 -2.114 1.00 0.00 O ATOM 759 CB SER A 57 -16.398 2.932 0.081 1.00 0.00 C ATOM 760 OG SER A 57 -16.897 3.628 1.215 1.00 0.00 O ATOM 0 H SER A 57 -14.814 1.175 1.191 1.00 0.00 H new ATOM 0 HA SER A 57 -17.736 1.304 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.323 3.085 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.854 3.322 -0.829 1.00 0.00 H new ATOM 0 HG SER A 57 -17.268 2.986 1.856 1.00 0.00 H new ATOM 766 N GLY A 58 -16.729 -0.537 -1.190 1.00 0.00 N ATOM 767 CA GLY A 58 -16.562 -1.254 -2.486 1.00 0.00 C ATOM 768 C GLY A 58 -17.180 -2.649 -2.385 1.00 0.00 C ATOM 769 O GLY A 58 -17.661 -3.052 -1.344 1.00 0.00 O ATOM 0 H GLY A 58 -17.008 -1.121 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.039 -0.691 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.504 -1.331 -2.736 1.00 0.00 H new ATOM 773 N HIS A 59 -17.169 -3.391 -3.459 1.00 0.00 N ATOM 774 CA HIS A 59 -17.755 -4.762 -3.428 1.00 0.00 C ATOM 775 C HIS A 59 -17.211 -5.570 -4.607 1.00 0.00 C ATOM 776 O HIS A 59 -17.078 -5.070 -5.707 1.00 0.00 O ATOM 777 CB HIS A 59 -19.280 -4.670 -3.535 1.00 0.00 C ATOM 778 CG HIS A 59 -19.851 -4.189 -2.229 1.00 0.00 C ATOM 779 ND1 HIS A 59 -20.475 -2.956 -2.103 1.00 0.00 N ATOM 780 CD2 HIS A 59 -19.902 -4.765 -0.984 1.00 0.00 C ATOM 781 CE1 HIS A 59 -20.872 -2.833 -0.822 1.00 0.00 C ATOM 782 NE2 HIS A 59 -20.545 -3.907 -0.097 1.00 0.00 N ATOM 0 H HIS A 59 -16.779 -3.107 -4.358 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.487 -5.252 -2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.557 -3.987 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.696 -5.645 -3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -19.504 -5.737 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.391 -1.972 -0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -20.728 -4.064 0.894 1.00 0.00 H new TER 790 HIS A 59