USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 50 GLN : amide:sc= -0.0135 K(o=-0.096,f=-2.4) USER MOD Set 1.2: A 81 MET CE :methyl -166:sc= -0.0829 (180deg=-0.214) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0245) USER MOD Single : A 11 GLN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00232 USER MOD Single : A 16 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc=-0.00435 (180deg=-0.244) USER MOD Single : A 18 ASN : amide:sc= 0.585 K(o=0.58,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -165:sc= -0.194 USER MOD Single : A 37 SER OG : rot 170:sc= -0.0409 USER MOD Single : A 38 THR OG1 : rot -90:sc= 0.00339 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= -2.91 (180deg=-2.91) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.711 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.593 F(o=-1.4!,f=-0.59) USER MOD Single : A 60 MET CE :methyl -179:sc= 0 (180deg=-0.000677) USER MOD Single : A 69 SER OG : rot -84:sc= 0.483 USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.0347 USER MOD Single : A 80 MET CE :methyl -164:sc= -2.23! (180deg=-3.5!) USER MOD Single : A 84 CYS SG : rot -36:sc= -0.0245 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.090 -2.553 -17.277 1.00 0.00 N ATOM 47 CA ILE A 4 8.398 -3.754 -16.789 1.00 0.00 C ATOM 48 C ILE A 4 6.924 -3.443 -16.522 1.00 0.00 C ATOM 49 O ILE A 4 6.070 -4.324 -16.610 1.00 0.00 O ATOM 50 CB ILE A 4 9.044 -4.321 -15.506 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.632 -3.489 -14.273 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.572 -4.342 -15.646 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.411 -2.171 -14.211 1.00 0.00 C ATOM 0 HA ILE A 4 8.484 -4.511 -17.569 1.00 0.00 H new ATOM 0 HB ILE A 4 8.689 -5.342 -15.365 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.563 -3.281 -14.311 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.813 -4.065 -13.365 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.015 -4.744 -14.735 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.851 -4.969 -16.493 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.936 -3.328 -15.810 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.100 -1.606 -13.332 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.479 -2.382 -14.148 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.209 -1.587 -15.109 1.00 0.00 H new ATOM 65 N TYR A 5 6.639 -2.174 -16.205 1.00 0.00 N ATOM 66 CA TYR A 5 5.269 -1.739 -15.935 1.00 0.00 C ATOM 67 C TYR A 5 4.451 -1.737 -17.227 1.00 0.00 C ATOM 68 O TYR A 5 3.255 -2.027 -17.218 1.00 0.00 O ATOM 69 CB TYR A 5 5.256 -0.324 -15.342 1.00 0.00 C ATOM 70 CG TYR A 5 6.232 -0.237 -14.189 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.105 -1.101 -13.095 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.263 0.710 -14.217 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.008 -1.019 -12.030 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.167 0.790 -13.152 1.00 0.00 C ATOM 75 CZ TYR A 5 8.039 -0.073 -12.058 1.00 0.00 C ATOM 76 OH TYR A 5 8.932 0.007 -11.007 1.00 0.00 O ATOM 0 H TYR A 5 7.338 -1.435 -16.130 1.00 0.00 H new ATOM 0 HA TYR A 5 4.831 -2.435 -15.220 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.521 0.403 -16.109 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.252 -0.074 -14.999 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.310 -1.831 -13.073 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.360 1.378 -15.060 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.910 -1.686 -11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.964 1.518 -13.174 1.00 0.00 H new ATOM 0 HH TYR A 5 9.585 0.715 -11.186 1.00 0.00 H new ATOM 86 N LYS A 6 5.122 -1.410 -18.337 1.00 0.00 N ATOM 87 CA LYS A 6 4.464 -1.373 -19.649 1.00 0.00 C ATOM 88 C LYS A 6 4.281 -2.790 -20.180 1.00 0.00 C ATOM 89 O LYS A 6 3.258 -3.116 -20.782 1.00 0.00 O ATOM 90 CB LYS A 6 5.294 -0.564 -20.658 1.00 0.00 C ATOM 91 CG LYS A 6 5.816 0.727 -20.008 1.00 0.00 C ATOM 92 CD LYS A 6 4.683 1.416 -19.240 1.00 0.00 C ATOM 93 CE LYS A 6 5.265 2.471 -18.294 1.00 0.00 C ATOM 94 NZ LYS A 6 5.847 3.594 -19.085 1.00 0.00 N ATOM 0 H LYS A 6 6.113 -1.169 -18.354 1.00 0.00 H new ATOM 0 HA LYS A 6 3.493 -0.894 -19.524 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.131 -1.164 -21.014 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.684 -0.320 -21.528 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.639 0.497 -19.331 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.209 1.397 -20.773 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.989 1.884 -19.939 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.115 0.679 -18.672 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.486 2.847 -17.631 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.032 2.023 -17.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.164 4.345 -18.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.657 3.247 -19.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.126 3.974 -19.731 1.00 0.00 H new ATOM 108 N ALA A 7 5.287 -3.629 -19.938 1.00 0.00 N ATOM 109 CA ALA A 7 5.239 -5.024 -20.378 1.00 0.00 C ATOM 110 C ALA A 7 4.258 -5.829 -19.517 1.00 0.00 C ATOM 111 O ALA A 7 3.664 -6.803 -19.984 1.00 0.00 O ATOM 112 CB ALA A 7 6.629 -5.661 -20.277 1.00 0.00 C ATOM 0 H ALA A 7 6.140 -3.370 -19.443 1.00 0.00 H new ATOM 0 HA ALA A 7 4.904 -5.038 -21.415 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.579 -6.699 -20.607 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.327 -5.112 -20.909 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.971 -5.626 -19.243 1.00 0.00 H new ATOM 118 N ALA A 8 4.100 -5.411 -18.255 1.00 0.00 N ATOM 119 CA ALA A 8 3.197 -6.098 -17.327 1.00 0.00 C ATOM 120 C ALA A 8 1.755 -5.590 -17.460 1.00 0.00 C ATOM 121 O ALA A 8 0.813 -6.321 -17.154 1.00 0.00 O ATOM 122 CB ALA A 8 3.662 -5.899 -15.883 1.00 0.00 C ATOM 0 H ALA A 8 4.583 -4.606 -17.856 1.00 0.00 H new ATOM 0 HA ALA A 8 3.219 -7.157 -17.582 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.981 -6.415 -15.207 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.667 -6.305 -15.765 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.670 -4.835 -15.647 1.00 0.00 H new ATOM 128 N VAL A 9 1.586 -4.337 -17.915 1.00 0.00 N ATOM 129 CA VAL A 9 0.242 -3.766 -18.075 1.00 0.00 C ATOM 130 C VAL A 9 -0.599 -4.599 -19.056 1.00 0.00 C ATOM 131 O VAL A 9 -1.825 -4.648 -18.944 1.00 0.00 O ATOM 132 CB VAL A 9 0.319 -2.306 -18.558 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.561 -2.251 -20.070 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.998 -1.593 -18.231 1.00 0.00 C ATOM 0 H VAL A 9 2.349 -3.712 -18.174 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.242 -3.786 -17.099 1.00 0.00 H new ATOM 0 HB VAL A 9 1.148 -1.813 -18.051 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.612 -1.211 -20.393 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.500 -2.751 -20.307 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.257 -2.752 -20.588 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.946 -0.559 -18.572 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.821 -2.100 -18.734 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.164 -1.612 -17.154 1.00 0.00 H new ATOM 144 N GLU A 10 0.076 -5.262 -20.008 1.00 0.00 N ATOM 145 CA GLU A 10 -0.618 -6.101 -20.992 1.00 0.00 C ATOM 146 C GLU A 10 -1.277 -7.304 -20.309 1.00 0.00 C ATOM 147 O GLU A 10 -2.281 -7.828 -20.793 1.00 0.00 O ATOM 148 CB GLU A 10 0.361 -6.610 -22.055 1.00 0.00 C ATOM 149 CG GLU A 10 0.703 -5.478 -23.027 1.00 0.00 C ATOM 150 CD GLU A 10 2.129 -5.657 -23.539 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.041 -5.212 -22.861 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.289 -6.236 -24.601 1.00 0.00 O ATOM 0 H GLU A 10 1.090 -5.233 -20.115 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.384 -5.488 -21.467 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.269 -6.980 -21.579 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.079 -7.447 -22.597 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.003 -5.479 -23.863 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.603 -4.514 -22.528 1.00 0.00 H new ATOM 159 N GLN A 11 -0.704 -7.730 -19.174 1.00 0.00 N ATOM 160 CA GLN A 11 -1.249 -8.865 -18.428 1.00 0.00 C ATOM 161 C GLN A 11 -2.457 -8.428 -17.600 1.00 0.00 C ATOM 162 O GLN A 11 -3.393 -9.202 -17.390 1.00 0.00 O ATOM 163 CB GLN A 11 -0.192 -9.454 -17.485 1.00 0.00 C ATOM 164 CG GLN A 11 1.063 -9.832 -18.277 1.00 0.00 C ATOM 165 CD GLN A 11 2.128 -10.364 -17.321 1.00 0.00 C ATOM 166 OE1 GLN A 11 2.494 -11.538 -17.383 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.653 -9.565 -16.430 1.00 0.00 N ATOM 0 H GLN A 11 0.127 -7.309 -18.759 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.552 -9.622 -19.151 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.061 -8.730 -16.711 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.592 -10.333 -16.980 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.820 -10.587 -19.025 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.443 -8.963 -18.814 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.351 -8.592 -16.377 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.364 -9.914 -15.788 1.00 0.00 H new ATOM 176 N LEU A 12 -2.425 -7.174 -17.136 1.00 0.00 N ATOM 177 CA LEU A 12 -3.521 -6.630 -16.334 1.00 0.00 C ATOM 178 C LEU A 12 -4.715 -6.289 -17.225 1.00 0.00 C ATOM 179 O LEU A 12 -4.569 -6.084 -18.434 1.00 0.00 O ATOM 180 CB LEU A 12 -3.082 -5.361 -15.592 1.00 0.00 C ATOM 181 CG LEU A 12 -1.636 -5.349 -15.071 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.444 -4.154 -14.135 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.348 -6.647 -14.307 1.00 0.00 C ATOM 0 H LEU A 12 -1.658 -6.523 -17.301 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.806 -7.391 -15.608 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.213 -4.510 -16.260 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.753 -5.208 -14.746 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.950 -5.269 -15.914 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.419 -4.143 -13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.643 -3.230 -14.679 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.133 -4.236 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.322 -6.633 -13.940 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.034 -6.733 -13.464 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.484 -7.499 -14.973 1.00 0.00 H new ATOM 195 N THR A 13 -5.898 -6.230 -16.611 1.00 0.00 N ATOM 196 CA THR A 13 -7.124 -5.913 -17.348 1.00 0.00 C ATOM 197 C THR A 13 -7.632 -4.522 -16.980 1.00 0.00 C ATOM 198 O THR A 13 -7.218 -3.934 -15.977 1.00 0.00 O ATOM 199 CB THR A 13 -8.230 -6.934 -17.045 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.035 -7.496 -15.752 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.204 -8.044 -18.097 1.00 0.00 C ATOM 0 H THR A 13 -6.034 -6.396 -15.614 1.00 0.00 H new ATOM 0 HA THR A 13 -6.880 -5.947 -18.410 1.00 0.00 H new ATOM 0 HB THR A 13 -9.196 -6.430 -17.071 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.746 -8.145 -15.567 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.989 -8.768 -17.881 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.369 -7.613 -19.085 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.235 -8.543 -18.076 1.00 0.00 H new ATOM 209 N ASP A 14 -8.552 -4.011 -17.801 1.00 0.00 N ATOM 210 CA ASP A 14 -9.143 -2.694 -17.560 1.00 0.00 C ATOM 211 C ASP A 14 -9.919 -2.697 -16.243 1.00 0.00 C ATOM 212 O ASP A 14 -9.971 -1.686 -15.542 1.00 0.00 O ATOM 213 CB ASP A 14 -10.093 -2.310 -18.698 1.00 0.00 C ATOM 214 CG ASP A 14 -9.282 -1.894 -19.923 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.913 -0.733 -19.999 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.041 -2.744 -20.765 1.00 0.00 O ATOM 0 H ASP A 14 -8.902 -4.486 -18.633 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.333 -1.966 -17.508 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.739 -3.152 -18.946 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.742 -1.492 -18.384 1.00 0.00 H new ATOM 221 N GLU A 15 -10.514 -3.851 -15.914 1.00 0.00 N ATOM 222 CA GLU A 15 -11.280 -3.991 -14.673 1.00 0.00 C ATOM 223 C GLU A 15 -10.401 -3.693 -13.458 1.00 0.00 C ATOM 224 O GLU A 15 -10.835 -3.026 -12.519 1.00 0.00 O ATOM 225 CB GLU A 15 -11.846 -5.410 -14.542 1.00 0.00 C ATOM 226 CG GLU A 15 -13.217 -5.487 -15.220 1.00 0.00 C ATOM 227 CD GLU A 15 -14.266 -4.805 -14.343 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.751 -5.447 -13.425 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.568 -3.650 -14.602 1.00 0.00 O ATOM 0 H GLU A 15 -10.479 -4.694 -16.487 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.101 -3.275 -14.710 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.164 -6.127 -14.999 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.935 -5.680 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.177 -5.005 -16.197 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.492 -6.528 -15.389 1.00 0.00 H new ATOM 236 N GLN A 16 -9.155 -4.188 -13.489 1.00 0.00 N ATOM 237 CA GLN A 16 -8.217 -3.961 -12.384 1.00 0.00 C ATOM 238 C GLN A 16 -8.002 -2.463 -12.166 1.00 0.00 C ATOM 239 O GLN A 16 -8.088 -1.971 -11.041 1.00 0.00 O ATOM 240 CB GLN A 16 -6.863 -4.620 -12.674 1.00 0.00 C ATOM 241 CG GLN A 16 -6.933 -6.112 -12.339 1.00 0.00 C ATOM 242 CD GLN A 16 -5.567 -6.590 -11.851 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.307 -6.618 -10.648 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.670 -6.970 -12.721 1.00 0.00 N ATOM 0 H GLN A 16 -8.778 -4.742 -14.258 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.648 -4.405 -11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.599 -4.485 -13.723 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.081 -4.141 -12.084 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.687 -6.288 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.235 -6.679 -13.219 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.885 -6.947 -13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.755 -7.290 -12.404 1.00 0.00 H new ATOM 253 N LYS A 17 -7.730 -1.744 -13.261 1.00 0.00 N ATOM 254 CA LYS A 17 -7.512 -0.296 -13.189 1.00 0.00 C ATOM 255 C LYS A 17 -8.800 0.427 -12.783 1.00 0.00 C ATOM 256 O LYS A 17 -8.760 1.423 -12.060 1.00 0.00 O ATOM 257 CB LYS A 17 -7.039 0.247 -14.542 1.00 0.00 C ATOM 258 CG LYS A 17 -5.509 0.194 -14.610 1.00 0.00 C ATOM 259 CD LYS A 17 -5.070 -0.815 -15.678 1.00 0.00 C ATOM 260 CE LYS A 17 -5.353 -0.251 -17.077 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.385 0.844 -17.385 1.00 0.00 N ATOM 0 H LYS A 17 -7.656 -2.137 -14.199 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.744 -0.114 -12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.470 -0.341 -15.352 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.384 1.273 -14.674 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.112 1.182 -14.845 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.103 -0.090 -13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.007 -1.031 -15.572 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.602 -1.757 -15.542 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.270 -1.042 -17.822 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.374 0.128 -17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.356 1.003 -18.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.686 1.718 -16.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.438 0.575 -17.050 1.00 0.00 H new ATOM 275 N ASN A 18 -9.943 -0.092 -13.252 1.00 0.00 N ATOM 276 CA ASN A 18 -11.243 0.501 -12.923 1.00 0.00 C ATOM 277 C ASN A 18 -11.478 0.461 -11.413 1.00 0.00 C ATOM 278 O ASN A 18 -11.921 1.443 -10.815 1.00 0.00 O ATOM 279 CB ASN A 18 -12.376 -0.255 -13.630 1.00 0.00 C ATOM 280 CG ASN A 18 -12.759 0.475 -14.914 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.820 1.094 -14.989 1.00 0.00 O ATOM 282 ND2 ASN A 18 -11.952 0.438 -15.942 1.00 0.00 N ATOM 0 H ASN A 18 -9.993 -0.913 -13.855 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.237 1.537 -13.263 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.059 -1.272 -13.859 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.241 -0.331 -12.972 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.202 0.922 -16.804 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.072 -0.075 -15.882 1.00 0.00 H new ATOM 289 N GLU A 19 -11.158 -0.686 -10.803 1.00 0.00 N ATOM 290 CA GLU A 19 -11.317 -0.853 -9.356 1.00 0.00 C ATOM 291 C GLU A 19 -10.272 -0.020 -8.622 1.00 0.00 C ATOM 292 O GLU A 19 -10.562 0.600 -7.601 1.00 0.00 O ATOM 293 CB GLU A 19 -11.149 -2.322 -8.949 1.00 0.00 C ATOM 294 CG GLU A 19 -12.163 -3.188 -9.701 1.00 0.00 C ATOM 295 CD GLU A 19 -13.549 -3.017 -9.084 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.834 -3.705 -8.116 1.00 0.00 O ATOM 297 OE2 GLU A 19 -14.304 -2.202 -9.587 1.00 0.00 O ATOM 0 H GLU A 19 -10.790 -1.506 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.321 -0.522 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.136 -2.657 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.292 -2.430 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.186 -2.905 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.863 -4.235 -9.659 1.00 0.00 H new ATOM 304 N PHE A 20 -9.050 -0.016 -9.165 1.00 0.00 N ATOM 305 CA PHE A 20 -7.945 0.744 -8.574 1.00 0.00 C ATOM 306 C PHE A 20 -8.281 2.234 -8.505 1.00 0.00 C ATOM 307 O PHE A 20 -8.005 2.893 -7.501 1.00 0.00 O ATOM 308 CB PHE A 20 -6.670 0.565 -9.409 1.00 0.00 C ATOM 309 CG PHE A 20 -5.926 -0.685 -8.984 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.608 -1.764 -8.403 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.544 -0.761 -9.181 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.907 -2.911 -8.021 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.843 -1.907 -8.798 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.523 -2.983 -8.218 1.00 0.00 C ATOM 0 H PHE A 20 -8.802 -0.529 -10.011 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.785 0.364 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.927 0.500 -10.466 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.026 1.436 -9.291 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.676 -1.708 -8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.017 0.068 -9.630 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.433 -3.742 -7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.775 -1.962 -8.950 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.981 -3.869 -7.922 1.00 0.00 H new ATOM 324 N LYS A 21 -8.875 2.757 -9.586 1.00 0.00 N ATOM 325 CA LYS A 21 -9.243 4.174 -9.641 1.00 0.00 C ATOM 326 C LYS A 21 -10.266 4.506 -8.556 1.00 0.00 C ATOM 327 O LYS A 21 -10.085 5.451 -7.789 1.00 0.00 O ATOM 328 CB LYS A 21 -9.827 4.533 -11.015 1.00 0.00 C ATOM 329 CG LYS A 21 -10.032 6.050 -11.118 1.00 0.00 C ATOM 330 CD LYS A 21 -8.707 6.772 -10.850 1.00 0.00 C ATOM 331 CE LYS A 21 -8.809 8.224 -11.322 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.717 9.029 -10.703 1.00 0.00 N ATOM 0 H LYS A 21 -9.108 2.225 -10.425 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.338 4.759 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.156 4.194 -11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.777 4.019 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.404 6.309 -12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.785 6.374 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.473 6.741 -9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.894 6.266 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.737 8.270 -12.409 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.780 8.638 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.788 10.015 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.805 8.995 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.795 8.638 -10.985 1.00 0.00 H new ATOM 346 N ALA A 22 -11.338 3.710 -8.496 1.00 0.00 N ATOM 347 CA ALA A 22 -12.383 3.921 -7.493 1.00 0.00 C ATOM 348 C ALA A 22 -11.819 3.710 -6.087 1.00 0.00 C ATOM 349 O ALA A 22 -12.096 4.490 -5.176 1.00 0.00 O ATOM 350 CB ALA A 22 -13.549 2.958 -7.715 1.00 0.00 C ATOM 0 H ALA A 22 -11.503 2.923 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.742 4.945 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.314 3.132 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.974 3.123 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.192 1.931 -7.640 1.00 0.00 H new ATOM 356 N ALA A 23 -11.014 2.651 -5.931 1.00 0.00 N ATOM 357 CA ALA A 23 -10.394 2.338 -4.639 1.00 0.00 C ATOM 358 C ALA A 23 -9.490 3.482 -4.175 1.00 0.00 C ATOM 359 O ALA A 23 -9.295 3.684 -2.975 1.00 0.00 O ATOM 360 CB ALA A 23 -9.557 1.060 -4.739 1.00 0.00 C ATOM 0 H ALA A 23 -10.778 2.000 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.198 2.196 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.105 0.844 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.197 0.228 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.772 1.196 -5.483 1.00 0.00 H new ATOM 366 N PHE A 24 -8.940 4.228 -5.138 1.00 0.00 N ATOM 367 CA PHE A 24 -8.065 5.349 -4.816 1.00 0.00 C ATOM 368 C PHE A 24 -8.895 6.580 -4.452 1.00 0.00 C ATOM 369 O PHE A 24 -8.729 7.153 -3.378 1.00 0.00 O ATOM 370 CB PHE A 24 -7.165 5.685 -6.014 1.00 0.00 C ATOM 371 CG PHE A 24 -5.907 6.383 -5.543 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.786 5.628 -5.171 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.855 7.784 -5.488 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.618 6.273 -4.744 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.688 8.425 -5.059 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.570 7.671 -4.688 1.00 0.00 C ATOM 0 H PHE A 24 -9.086 4.075 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.445 5.065 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.904 4.772 -6.550 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.703 6.323 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.823 4.549 -5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.716 8.368 -5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.754 5.691 -4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.650 9.503 -5.014 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.669 8.167 -4.358 1.00 0.00 H new ATOM 386 N ASP A 25 -9.784 6.976 -5.370 1.00 0.00 N ATOM 387 CA ASP A 25 -10.635 8.155 -5.168 1.00 0.00 C ATOM 388 C ASP A 25 -11.408 8.108 -3.846 1.00 0.00 C ATOM 389 O ASP A 25 -11.533 9.129 -3.169 1.00 0.00 O ATOM 390 CB ASP A 25 -11.632 8.295 -6.321 1.00 0.00 C ATOM 391 CG ASP A 25 -10.955 8.986 -7.501 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.390 8.288 -8.328 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.009 10.204 -7.559 1.00 0.00 O ATOM 0 H ASP A 25 -9.933 6.498 -6.259 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.967 9.016 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.996 7.313 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.499 8.871 -5.998 1.00 0.00 H new ATOM 398 N ILE A 26 -11.929 6.930 -3.482 1.00 0.00 N ATOM 399 CA ILE A 26 -12.689 6.800 -2.228 1.00 0.00 C ATOM 400 C ILE A 26 -11.835 7.232 -1.029 1.00 0.00 C ATOM 401 O ILE A 26 -12.341 7.835 -0.081 1.00 0.00 O ATOM 402 CB ILE A 26 -13.176 5.360 -2.015 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.983 4.394 -2.063 1.00 0.00 C ATOM 404 CG2 ILE A 26 -14.184 4.997 -3.111 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.464 2.960 -1.844 1.00 0.00 C ATOM 0 H ILE A 26 -11.843 6.069 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.558 7.453 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.657 5.280 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.478 4.474 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.255 4.663 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.531 3.975 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.033 5.679 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.706 5.079 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.612 2.281 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.949 2.883 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.175 2.691 -2.625 1.00 0.00 H new ATOM 417 N PHE A 27 -10.533 6.931 -1.094 1.00 0.00 N ATOM 418 CA PHE A 27 -9.610 7.303 -0.021 1.00 0.00 C ATOM 419 C PHE A 27 -9.155 8.758 -0.183 1.00 0.00 C ATOM 420 O PHE A 27 -8.862 9.439 0.803 1.00 0.00 O ATOM 421 CB PHE A 27 -8.375 6.394 -0.031 1.00 0.00 C ATOM 422 CG PHE A 27 -8.615 5.204 0.870 1.00 0.00 C ATOM 423 CD1 PHE A 27 -9.234 4.053 0.364 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.216 5.250 2.212 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.455 2.952 1.200 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.437 4.149 3.046 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.056 3.000 2.541 1.00 0.00 C ATOM 0 H PHE A 27 -10.099 6.435 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.138 7.189 0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.166 6.058 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.500 6.949 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.541 4.015 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.738 6.136 2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.933 2.066 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.130 4.186 4.081 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.226 2.150 3.186 1.00 0.00 H new ATOM 437 N ILE A 28 -9.099 9.226 -1.438 1.00 0.00 N ATOM 438 CA ILE A 28 -8.678 10.602 -1.726 1.00 0.00 C ATOM 439 C ILE A 28 -9.898 11.527 -1.856 1.00 0.00 C ATOM 440 O ILE A 28 -9.870 12.513 -2.598 1.00 0.00 O ATOM 441 CB ILE A 28 -7.861 10.655 -3.031 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.857 9.496 -3.096 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.084 11.968 -3.120 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.241 9.235 -1.716 1.00 0.00 C ATOM 0 H ILE A 28 -9.338 8.676 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.057 10.942 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.564 10.578 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.356 8.595 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.070 9.730 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.512 11.990 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.782 12.805 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.404 12.046 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.532 8.410 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.723 10.131 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.029 8.979 -1.008 1.00 0.00 H new ATOM 456 N GLN A 29 -10.965 11.207 -1.118 1.00 0.00 N ATOM 457 CA GLN A 29 -12.182 12.024 -1.154 1.00 0.00 C ATOM 458 C GLN A 29 -11.921 13.402 -0.535 1.00 0.00 C ATOM 459 O GLN A 29 -12.526 14.399 -0.934 1.00 0.00 O ATOM 460 CB GLN A 29 -13.339 11.338 -0.407 1.00 0.00 C ATOM 461 CG GLN A 29 -12.912 10.968 1.019 1.00 0.00 C ATOM 462 CD GLN A 29 -14.118 11.044 1.951 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.189 11.921 2.812 1.00 0.00 O ATOM 464 NE2 GLN A 29 -15.082 10.170 1.830 1.00 0.00 N ATOM 0 H GLN A 29 -11.012 10.400 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.466 12.143 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.203 12.002 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.647 10.441 -0.945 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.491 9.963 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.131 11.646 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.025 9.443 1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.892 10.215 2.448 1.00 0.00 H new ATOM 473 N ASP A 30 -11.005 13.444 0.440 1.00 0.00 N ATOM 474 CA ASP A 30 -10.655 14.696 1.106 1.00 0.00 C ATOM 475 C ASP A 30 -9.271 14.586 1.760 1.00 0.00 C ATOM 476 O ASP A 30 -9.065 15.030 2.895 1.00 0.00 O ATOM 477 CB ASP A 30 -11.705 15.042 2.171 1.00 0.00 C ATOM 478 CG ASP A 30 -11.755 16.554 2.373 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.304 17.230 1.517 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.245 17.016 3.381 1.00 0.00 O ATOM 0 H ASP A 30 -10.497 12.628 0.781 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.630 15.488 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.684 14.674 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.460 14.548 3.111 1.00 0.00 H new ATOM 485 N ALA A 31 -8.320 13.990 1.028 1.00 0.00 N ATOM 486 CA ALA A 31 -6.959 13.830 1.541 1.00 0.00 C ATOM 487 C ALA A 31 -6.243 15.179 1.598 1.00 0.00 C ATOM 488 O ALA A 31 -6.522 16.082 0.806 1.00 0.00 O ATOM 489 CB ALA A 31 -6.157 12.876 0.654 1.00 0.00 C ATOM 0 H ALA A 31 -8.468 13.616 0.091 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.030 13.415 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.148 12.770 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.644 11.901 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.107 13.276 -0.359 1.00 0.00 H new ATOM 495 N GLU A 32 -5.317 15.299 2.551 1.00 0.00 N ATOM 496 CA GLU A 32 -4.555 16.542 2.724 1.00 0.00 C ATOM 497 C GLU A 32 -3.624 16.793 1.532 1.00 0.00 C ATOM 498 O GLU A 32 -3.462 17.932 1.089 1.00 0.00 O ATOM 499 CB GLU A 32 -3.726 16.498 4.018 1.00 0.00 C ATOM 500 CG GLU A 32 -2.725 15.334 3.976 1.00 0.00 C ATOM 501 CD GLU A 32 -2.334 14.943 5.398 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.037 14.132 5.981 1.00 0.00 O ATOM 503 OE2 GLU A 32 -1.340 15.458 5.881 1.00 0.00 O ATOM 0 H GLU A 32 -5.076 14.559 3.211 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.275 17.358 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.193 17.440 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.387 16.386 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.166 14.480 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.839 15.623 3.411 1.00 0.00 H new ATOM 510 N ASP A 33 -3.021 15.718 1.021 1.00 0.00 N ATOM 511 CA ASP A 33 -2.109 15.822 -0.121 1.00 0.00 C ATOM 512 C ASP A 33 -2.772 15.308 -1.403 1.00 0.00 C ATOM 513 O ASP A 33 -2.477 15.788 -2.500 1.00 0.00 O ATOM 514 CB ASP A 33 -0.837 15.008 0.145 1.00 0.00 C ATOM 515 CG ASP A 33 0.230 15.366 -0.887 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.867 16.394 -0.721 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.396 14.606 -1.827 1.00 0.00 O ATOM 0 H ASP A 33 -3.146 14.770 1.377 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.856 16.874 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.467 15.212 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.059 13.942 0.097 1.00 0.00 H new ATOM 522 N GLY A 34 -3.662 14.322 -1.254 1.00 0.00 N ATOM 523 CA GLY A 34 -4.358 13.736 -2.402 1.00 0.00 C ATOM 524 C GLY A 34 -3.880 12.304 -2.665 1.00 0.00 C ATOM 525 O GLY A 34 -3.933 11.821 -3.797 1.00 0.00 O ATOM 0 H GLY A 34 -3.916 13.915 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.432 13.736 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.186 14.348 -3.287 1.00 0.00 H new ATOM 529 N CYS A 35 -3.414 11.633 -1.604 1.00 0.00 N ATOM 530 CA CYS A 35 -2.926 10.258 -1.714 1.00 0.00 C ATOM 531 C CYS A 35 -3.215 9.493 -0.423 1.00 0.00 C ATOM 532 O CYS A 35 -3.780 10.043 0.526 1.00 0.00 O ATOM 533 CB CYS A 35 -1.416 10.248 -1.968 1.00 0.00 C ATOM 534 SG CYS A 35 -1.048 11.113 -3.516 1.00 0.00 S ATOM 0 H CYS A 35 -3.366 12.022 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.439 9.779 -2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.896 10.729 -1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.053 9.221 -2.019 1.00 0.00 H new ATOM 0 HG CYS A 35 0.163 10.830 -3.894 1.00 0.00 H new ATOM 540 N ILE A 36 -2.810 8.222 -0.390 1.00 0.00 N ATOM 541 CA ILE A 36 -3.021 7.398 0.802 1.00 0.00 C ATOM 542 C ILE A 36 -1.705 7.242 1.564 1.00 0.00 C ATOM 543 O ILE A 36 -0.655 7.686 1.104 1.00 0.00 O ATOM 544 CB ILE A 36 -3.571 6.010 0.434 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.603 5.288 -0.510 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.933 6.159 -0.252 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.920 4.142 0.240 1.00 0.00 C ATOM 0 H ILE A 36 -2.341 7.747 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.756 7.900 1.432 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.682 5.424 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.142 4.901 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.856 5.987 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.320 5.173 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.629 6.655 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.821 6.755 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.231 3.628 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.368 4.542 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.674 3.439 0.595 1.00 0.00 H new ATOM 559 N SER A 37 -1.772 6.611 2.735 1.00 0.00 N ATOM 560 CA SER A 37 -0.574 6.409 3.546 1.00 0.00 C ATOM 561 C SER A 37 0.048 5.049 3.247 1.00 0.00 C ATOM 562 O SER A 37 -0.655 4.045 3.112 1.00 0.00 O ATOM 563 CB SER A 37 -0.910 6.488 5.036 1.00 0.00 C ATOM 564 OG SER A 37 0.261 6.839 5.763 1.00 0.00 O ATOM 0 H SER A 37 -2.630 6.236 3.139 1.00 0.00 H new ATOM 0 HA SER A 37 0.136 7.197 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.693 7.227 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.295 5.530 5.385 1.00 0.00 H new ATOM 0 HG SER A 37 0.020 7.048 6.690 1.00 0.00 H new ATOM 570 N THR A 38 1.379 5.029 3.159 1.00 0.00 N ATOM 571 CA THR A 38 2.106 3.781 2.892 1.00 0.00 C ATOM 572 C THR A 38 1.808 2.755 3.991 1.00 0.00 C ATOM 573 O THR A 38 1.693 1.557 3.723 1.00 0.00 O ATOM 574 CB THR A 38 3.621 4.024 2.828 1.00 0.00 C ATOM 575 OG1 THR A 38 4.044 4.752 3.978 1.00 0.00 O ATOM 576 CG2 THR A 38 3.965 4.812 1.558 1.00 0.00 C ATOM 0 H THR A 38 1.973 5.851 3.267 1.00 0.00 H new ATOM 0 HA THR A 38 1.772 3.400 1.927 1.00 0.00 H new ATOM 0 HB THR A 38 4.137 3.064 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.992 5.713 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.041 4.983 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.653 4.244 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.446 5.770 1.573 1.00 0.00 H new ATOM 584 N LYS A 39 1.670 3.248 5.229 1.00 0.00 N ATOM 585 CA LYS A 39 1.368 2.386 6.373 1.00 0.00 C ATOM 586 C LYS A 39 -0.032 1.766 6.247 1.00 0.00 C ATOM 587 O LYS A 39 -0.293 0.694 6.798 1.00 0.00 O ATOM 588 CB LYS A 39 1.453 3.188 7.679 1.00 0.00 C ATOM 589 CG LYS A 39 0.453 4.353 7.653 1.00 0.00 C ATOM 590 CD LYS A 39 -0.419 4.317 8.911 1.00 0.00 C ATOM 591 CE LYS A 39 0.218 5.184 10.000 1.00 0.00 C ATOM 592 NZ LYS A 39 -0.677 5.228 11.192 1.00 0.00 N ATOM 0 H LYS A 39 1.763 4.237 5.461 1.00 0.00 H new ATOM 0 HA LYS A 39 2.105 1.583 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.242 2.538 8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.465 3.571 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.987 5.301 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.173 4.287 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.421 4.680 8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.525 3.291 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.191 4.779 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.388 6.192 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.243 5.817 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.596 5.633 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.818 4.264 11.556 1.00 0.00 H new ATOM 606 N GLU A 40 -0.928 2.446 5.516 1.00 0.00 N ATOM 607 CA GLU A 40 -2.292 1.946 5.327 1.00 0.00 C ATOM 608 C GLU A 40 -2.464 1.297 3.944 1.00 0.00 C ATOM 609 O GLU A 40 -3.585 0.994 3.530 1.00 0.00 O ATOM 610 CB GLU A 40 -3.302 3.089 5.475 1.00 0.00 C ATOM 611 CG GLU A 40 -3.636 3.286 6.957 1.00 0.00 C ATOM 612 CD GLU A 40 -4.291 4.650 7.159 1.00 0.00 C ATOM 613 OE1 GLU A 40 -3.566 5.614 7.344 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.510 4.709 7.129 1.00 0.00 O ATOM 0 H GLU A 40 -0.733 3.333 5.052 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.474 1.191 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.891 4.008 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.209 2.863 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.306 2.496 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.729 3.215 7.557 1.00 0.00 H new ATOM 621 N LEU A 41 -1.346 1.074 3.238 1.00 0.00 N ATOM 622 CA LEU A 41 -1.394 0.453 1.914 1.00 0.00 C ATOM 623 C LEU A 41 -1.902 -0.991 2.012 1.00 0.00 C ATOM 624 O LEU A 41 -2.582 -1.482 1.112 1.00 0.00 O ATOM 625 CB LEU A 41 -0.005 0.461 1.269 1.00 0.00 C ATOM 626 CG LEU A 41 0.048 -0.010 -0.188 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.133 0.580 -0.967 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.362 0.452 -0.825 1.00 0.00 C ATOM 0 H LEU A 41 -0.408 1.313 3.561 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.081 1.031 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.394 1.474 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.655 -0.172 1.862 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.010 -1.098 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.091 0.242 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.068 0.250 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.081 1.668 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.401 0.118 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.419 1.540 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.202 0.028 -0.275 1.00 0.00 H new ATOM 640 N GLY A 42 -1.575 -1.661 3.121 1.00 0.00 N ATOM 641 CA GLY A 42 -2.017 -3.041 3.331 1.00 0.00 C ATOM 642 C GLY A 42 -3.526 -3.106 3.598 1.00 0.00 C ATOM 643 O GLY A 42 -4.147 -4.159 3.445 1.00 0.00 O ATOM 0 H GLY A 42 -1.012 -1.275 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.774 -3.641 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.477 -3.474 4.173 1.00 0.00 H new ATOM 647 N LYS A 43 -4.106 -1.968 4.004 1.00 0.00 N ATOM 648 CA LYS A 43 -5.534 -1.899 4.298 1.00 0.00 C ATOM 649 C LYS A 43 -6.351 -1.618 3.029 1.00 0.00 C ATOM 650 O LYS A 43 -7.470 -2.115 2.886 1.00 0.00 O ATOM 651 CB LYS A 43 -5.787 -0.798 5.335 1.00 0.00 C ATOM 652 CG LYS A 43 -7.279 -0.701 5.657 1.00 0.00 C ATOM 653 CD LYS A 43 -7.743 0.737 5.433 1.00 0.00 C ATOM 654 CE LYS A 43 -7.805 1.470 6.777 1.00 0.00 C ATOM 655 NZ LYS A 43 -8.345 2.844 6.574 1.00 0.00 N ATOM 0 H LYS A 43 -3.606 -1.089 4.134 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.852 -2.863 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.225 -1.010 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.428 0.158 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.846 -1.383 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.462 -0.999 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.058 1.250 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.724 0.744 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.437 0.919 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.811 1.521 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.386 3.339 7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.725 3.368 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.301 2.785 6.169 1.00 0.00 H new ATOM 669 N VAL A 44 -5.790 -0.820 2.106 1.00 0.00 N ATOM 670 CA VAL A 44 -6.502 -0.499 0.863 1.00 0.00 C ATOM 671 C VAL A 44 -6.587 -1.726 -0.050 1.00 0.00 C ATOM 672 O VAL A 44 -7.593 -1.927 -0.736 1.00 0.00 O ATOM 673 CB VAL A 44 -5.830 0.664 0.111 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.935 1.944 0.945 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.354 0.353 -0.143 1.00 0.00 C ATOM 0 H VAL A 44 -4.867 -0.395 2.194 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.510 -0.191 1.140 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.337 0.799 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.459 2.766 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.985 2.182 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.436 1.796 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.893 1.185 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.844 0.205 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.271 -0.553 -0.744 1.00 0.00 H new ATOM 685 N MET A 45 -5.533 -2.555 -0.044 1.00 0.00 N ATOM 686 CA MET A 45 -5.518 -3.769 -0.867 1.00 0.00 C ATOM 687 C MET A 45 -6.522 -4.791 -0.334 1.00 0.00 C ATOM 688 O MET A 45 -7.084 -5.577 -1.098 1.00 0.00 O ATOM 689 CB MET A 45 -4.127 -4.405 -0.877 1.00 0.00 C ATOM 690 CG MET A 45 -3.123 -3.426 -1.483 1.00 0.00 C ATOM 691 SD MET A 45 -1.506 -4.227 -1.614 1.00 0.00 S ATOM 692 CE MET A 45 -1.042 -4.066 0.127 1.00 0.00 C ATOM 0 H MET A 45 -4.692 -2.409 0.514 1.00 0.00 H new ATOM 0 HA MET A 45 -5.790 -3.480 -1.882 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.828 -4.667 0.138 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.143 -5.330 -1.454 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.462 -3.103 -2.467 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.049 -2.533 -0.863 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.056 -4.503 0.283 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.019 -3.011 0.401 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.771 -4.587 0.748 1.00 0.00 H new ATOM 702 N ARG A 46 -6.742 -4.765 0.986 1.00 0.00 N ATOM 703 CA ARG A 46 -7.687 -5.689 1.623 1.00 0.00 C ATOM 704 C ARG A 46 -9.066 -5.572 0.971 1.00 0.00 C ATOM 705 O ARG A 46 -9.710 -6.581 0.672 1.00 0.00 O ATOM 706 CB ARG A 46 -7.816 -5.387 3.122 1.00 0.00 C ATOM 707 CG ARG A 46 -7.050 -6.437 3.934 1.00 0.00 C ATOM 708 CD ARG A 46 -7.768 -7.789 3.847 1.00 0.00 C ATOM 709 NE ARG A 46 -9.126 -7.703 4.390 1.00 0.00 N ATOM 710 CZ ARG A 46 -10.037 -8.661 4.165 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.732 -9.724 3.456 1.00 0.00 N ATOM 712 NH2 ARG A 46 -11.243 -8.537 4.660 1.00 0.00 N ATOM 0 H ARG A 46 -6.283 -4.120 1.629 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.304 -6.701 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.425 -4.392 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.867 -5.386 3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.032 -6.531 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.975 -6.121 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.809 -8.116 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.201 -8.541 4.396 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.385 -6.893 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.794 -9.827 3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.434 -10.446 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.485 -7.715 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.940 -9.262 4.492 1.00 0.00 H new ATOM 726 N MET A 47 -9.504 -4.328 0.740 1.00 0.00 N ATOM 727 CA MET A 47 -10.801 -4.082 0.104 1.00 0.00 C ATOM 728 C MET A 47 -10.783 -4.569 -1.348 1.00 0.00 C ATOM 729 O MET A 47 -11.782 -5.087 -1.850 1.00 0.00 O ATOM 730 CB MET A 47 -11.138 -2.586 0.128 1.00 0.00 C ATOM 731 CG MET A 47 -11.793 -2.231 1.465 1.00 0.00 C ATOM 732 SD MET A 47 -11.603 -0.458 1.780 1.00 0.00 S ATOM 733 CE MET A 47 -12.217 -0.461 3.482 1.00 0.00 C ATOM 0 H MET A 47 -8.984 -3.485 0.982 1.00 0.00 H new ATOM 0 HA MET A 47 -11.560 -4.631 0.662 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.232 -1.996 -0.013 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.810 -2.341 -0.695 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.850 -2.496 1.446 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.335 -2.805 2.270 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.187 0.553 3.881 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.243 -0.827 3.498 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.591 -1.110 4.094 1.00 0.00 H new ATOM 743 N LEU A 48 -9.630 -4.406 -2.008 1.00 0.00 N ATOM 744 CA LEU A 48 -9.476 -4.839 -3.400 1.00 0.00 C ATOM 745 C LEU A 48 -9.621 -6.360 -3.510 1.00 0.00 C ATOM 746 O LEU A 48 -10.268 -6.865 -4.429 1.00 0.00 O ATOM 747 CB LEU A 48 -8.101 -4.427 -3.945 1.00 0.00 C ATOM 748 CG LEU A 48 -8.114 -3.686 -5.290 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.910 -4.491 -6.321 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.757 -2.308 -5.112 1.00 0.00 C ATOM 0 H LEU A 48 -8.796 -3.980 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.258 -4.357 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.613 -3.792 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.489 -5.323 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.089 -3.567 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.915 -3.959 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.448 -5.469 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.934 -4.618 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.765 -1.784 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.780 -2.427 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.184 -1.730 -4.386 1.00 0.00 H new ATOM 762 N GLY A 49 -9.012 -7.083 -2.561 1.00 0.00 N ATOM 763 CA GLY A 49 -9.082 -8.546 -2.561 1.00 0.00 C ATOM 764 C GLY A 49 -7.788 -9.179 -2.038 1.00 0.00 C ATOM 765 O GLY A 49 -7.815 -10.258 -1.446 1.00 0.00 O ATOM 0 H GLY A 49 -8.472 -6.683 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.920 -8.870 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.276 -8.900 -3.573 1.00 0.00 H new ATOM 769 N GLN A 50 -6.655 -8.503 -2.265 1.00 0.00 N ATOM 770 CA GLN A 50 -5.360 -9.021 -1.815 1.00 0.00 C ATOM 771 C GLN A 50 -5.109 -8.666 -0.350 1.00 0.00 C ATOM 772 O GLN A 50 -5.608 -7.660 0.159 1.00 0.00 O ATOM 773 CB GLN A 50 -4.223 -8.451 -2.671 1.00 0.00 C ATOM 774 CG GLN A 50 -3.811 -9.478 -3.731 1.00 0.00 C ATOM 775 CD GLN A 50 -4.685 -9.309 -4.972 1.00 0.00 C ATOM 776 OE1 GLN A 50 -4.304 -8.618 -5.917 1.00 0.00 O ATOM 777 NE2 GLN A 50 -5.846 -9.904 -5.027 1.00 0.00 N ATOM 0 H GLN A 50 -6.609 -7.608 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.385 -10.106 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.544 -7.527 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.369 -8.202 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.761 -9.346 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.916 -10.488 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.163 -10.477 -4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.436 -9.796 -5.852 1.00 0.00 H new ATOM 786 N ASN A 51 -4.326 -9.514 0.322 1.00 0.00 N ATOM 787 CA ASN A 51 -4.006 -9.304 1.731 1.00 0.00 C ATOM 788 C ASN A 51 -2.655 -9.945 2.073 1.00 0.00 C ATOM 789 O ASN A 51 -2.591 -11.092 2.519 1.00 0.00 O ATOM 790 CB ASN A 51 -5.101 -9.912 2.615 1.00 0.00 C ATOM 791 CG ASN A 51 -4.879 -9.509 4.072 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.613 -8.344 4.368 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.975 -10.414 5.009 1.00 0.00 N ATOM 0 H ASN A 51 -3.905 -10.348 -0.087 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.947 -8.231 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.081 -9.572 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.092 -10.998 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.830 -10.155 5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.195 -11.380 4.765 1.00 0.00 H new ATOM 800 N PRO A 52 -1.563 -9.201 1.861 1.00 0.00 N ATOM 801 CA PRO A 52 -0.199 -9.691 2.144 1.00 0.00 C ATOM 802 C PRO A 52 0.175 -9.589 3.626 1.00 0.00 C ATOM 803 O PRO A 52 -0.680 -9.356 4.485 1.00 0.00 O ATOM 804 CB PRO A 52 0.661 -8.753 1.304 1.00 0.00 C ATOM 805 CG PRO A 52 -0.145 -7.478 1.094 1.00 0.00 C ATOM 806 CD PRO A 52 -1.621 -7.826 1.323 1.00 0.00 C ATOM 0 HA PRO A 52 -0.078 -10.749 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.602 -8.536 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.912 -9.212 0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.178 -6.701 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.006 -7.090 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.093 -7.138 2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.194 -7.780 0.397 1.00 0.00 H new ATOM 814 N THR A 53 1.467 -9.759 3.906 1.00 0.00 N ATOM 815 CA THR A 53 1.975 -9.681 5.279 1.00 0.00 C ATOM 816 C THR A 53 2.602 -8.300 5.515 1.00 0.00 C ATOM 817 O THR A 53 2.698 -7.495 4.587 1.00 0.00 O ATOM 818 CB THR A 53 3.029 -10.781 5.525 1.00 0.00 C ATOM 819 OG1 THR A 53 4.292 -10.365 5.020 1.00 0.00 O ATOM 820 CG2 THR A 53 2.610 -12.078 4.829 1.00 0.00 C ATOM 0 H THR A 53 2.181 -9.951 3.203 1.00 0.00 H new ATOM 0 HA THR A 53 1.147 -9.830 5.972 1.00 0.00 H new ATOM 0 HB THR A 53 3.105 -10.956 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.956 -11.067 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.361 -12.847 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.650 -12.409 5.224 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.520 -11.903 3.757 1.00 0.00 H new ATOM 828 N PRO A 54 3.047 -8.008 6.745 1.00 0.00 N ATOM 829 CA PRO A 54 3.678 -6.708 7.056 1.00 0.00 C ATOM 830 C PRO A 54 5.081 -6.584 6.459 1.00 0.00 C ATOM 831 O PRO A 54 5.545 -5.484 6.154 1.00 0.00 O ATOM 832 CB PRO A 54 3.712 -6.709 8.578 1.00 0.00 C ATOM 833 CG PRO A 54 3.646 -8.161 9.022 1.00 0.00 C ATOM 834 CD PRO A 54 2.968 -8.941 7.892 1.00 0.00 C ATOM 0 HA PRO A 54 3.135 -5.862 6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.623 -6.235 8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.873 -6.143 8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.645 -8.551 9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.082 -8.256 9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.483 -9.879 7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.936 -9.191 8.138 1.00 0.00 H new ATOM 842 N GLU A 55 5.739 -7.733 6.278 1.00 0.00 N ATOM 843 CA GLU A 55 7.082 -7.760 5.695 1.00 0.00 C ATOM 844 C GLU A 55 6.987 -7.729 4.167 1.00 0.00 C ATOM 845 O GLU A 55 7.778 -7.063 3.495 1.00 0.00 O ATOM 846 CB GLU A 55 7.843 -9.024 6.126 1.00 0.00 C ATOM 847 CG GLU A 55 7.650 -9.278 7.629 1.00 0.00 C ATOM 848 CD GLU A 55 8.185 -8.093 8.432 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.393 -7.997 8.577 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.377 -7.302 8.893 1.00 0.00 O ATOM 0 H GLU A 55 5.366 -8.650 6.525 1.00 0.00 H new ATOM 0 HA GLU A 55 7.623 -6.884 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.487 -9.883 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.904 -8.911 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.593 -9.429 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.169 -10.190 7.922 1.00 0.00 H new ATOM 857 N GLU A 56 5.999 -8.460 3.629 1.00 0.00 N ATOM 858 CA GLU A 56 5.786 -8.520 2.180 1.00 0.00 C ATOM 859 C GLU A 56 5.360 -7.154 1.641 1.00 0.00 C ATOM 860 O GLU A 56 5.950 -6.641 0.688 1.00 0.00 O ATOM 861 CB GLU A 56 4.703 -9.551 1.837 1.00 0.00 C ATOM 862 CG GLU A 56 4.763 -9.886 0.343 1.00 0.00 C ATOM 863 CD GLU A 56 5.231 -11.326 0.156 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.429 -11.531 0.054 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.383 -12.204 0.116 1.00 0.00 O ATOM 0 H GLU A 56 5.339 -9.014 4.175 1.00 0.00 H new ATOM 0 HA GLU A 56 6.728 -8.814 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.848 -10.455 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.719 -9.158 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.780 -9.751 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.444 -9.203 -0.165 1.00 0.00 H new ATOM 872 N LEU A 57 4.329 -6.570 2.267 1.00 0.00 N ATOM 873 CA LEU A 57 3.829 -5.259 1.852 1.00 0.00 C ATOM 874 C LEU A 57 4.930 -4.198 1.971 1.00 0.00 C ATOM 875 O LEU A 57 4.975 -3.253 1.184 1.00 0.00 O ATOM 876 CB LEU A 57 2.614 -4.855 2.710 1.00 0.00 C ATOM 877 CG LEU A 57 2.682 -3.470 3.369 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.265 -2.948 3.615 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.430 -3.569 4.704 1.00 0.00 C ATOM 0 H LEU A 57 3.831 -6.983 3.055 1.00 0.00 H new ATOM 0 HA LEU A 57 3.521 -5.325 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.723 -4.893 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.484 -5.602 3.493 1.00 0.00 H new ATOM 0 HG LEU A 57 3.212 -2.784 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.316 -1.965 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.736 -2.871 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.733 -3.636 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.476 -2.584 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.905 -4.258 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.441 -3.935 4.528 1.00 0.00 H new ATOM 891 N GLN A 58 5.814 -4.368 2.965 1.00 0.00 N ATOM 892 CA GLN A 58 6.911 -3.421 3.176 1.00 0.00 C ATOM 893 C GLN A 58 7.745 -3.271 1.904 1.00 0.00 C ATOM 894 O GLN A 58 8.078 -2.157 1.495 1.00 0.00 O ATOM 895 CB GLN A 58 7.818 -3.884 4.324 1.00 0.00 C ATOM 896 CG GLN A 58 8.691 -2.715 4.799 1.00 0.00 C ATOM 897 CD GLN A 58 7.810 -1.627 5.407 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.327 -0.684 4.638 1.00 0.00 O flip ATOM 899 NE2 GLN A 58 7.552 -1.628 6.610 1.00 0.00 N flip ATOM 0 H GLN A 58 5.790 -5.144 3.627 1.00 0.00 H new ATOM 0 HA GLN A 58 6.472 -2.458 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.213 -4.257 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.448 -4.709 3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.414 -3.065 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.260 -2.310 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.927 -2.362 7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.963 -0.895 7.006 1.00 0.00 H new ATOM 908 N GLU A 59 8.064 -4.408 1.276 1.00 0.00 N ATOM 909 CA GLU A 59 8.846 -4.399 0.039 1.00 0.00 C ATOM 910 C GLU A 59 8.069 -3.704 -1.082 1.00 0.00 C ATOM 911 O GLU A 59 8.657 -3.023 -1.922 1.00 0.00 O ATOM 912 CB GLU A 59 9.184 -5.827 -0.404 1.00 0.00 C ATOM 913 CG GLU A 59 10.528 -6.253 0.197 1.00 0.00 C ATOM 914 CD GLU A 59 11.660 -5.454 -0.449 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.997 -5.752 -1.584 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.172 -4.557 0.201 1.00 0.00 O ATOM 0 H GLU A 59 7.795 -5.337 1.601 1.00 0.00 H new ATOM 0 HA GLU A 59 9.770 -3.855 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.399 -6.512 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.229 -5.879 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.523 -6.089 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.686 -7.320 0.038 1.00 0.00 H new ATOM 923 N MET A 60 6.742 -3.881 -1.080 1.00 0.00 N ATOM 924 CA MET A 60 5.889 -3.263 -2.099 1.00 0.00 C ATOM 925 C MET A 60 5.927 -1.741 -1.975 1.00 0.00 C ATOM 926 O MET A 60 6.091 -1.034 -2.968 1.00 0.00 O ATOM 927 CB MET A 60 4.432 -3.730 -1.956 1.00 0.00 C ATOM 928 CG MET A 60 4.359 -5.255 -2.067 1.00 0.00 C ATOM 929 SD MET A 60 2.640 -5.760 -2.320 1.00 0.00 S ATOM 930 CE MET A 60 2.814 -7.465 -1.736 1.00 0.00 C ATOM 0 H MET A 60 6.241 -4.442 -0.391 1.00 0.00 H new ATOM 0 HA MET A 60 6.271 -3.567 -3.074 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.030 -3.407 -0.995 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.816 -3.271 -2.729 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.976 -5.600 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.755 -5.716 -1.162 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.857 -7.979 -1.822 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.559 -7.982 -2.340 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.131 -7.462 -0.693 1.00 0.00 H new ATOM 940 N ILE A 61 5.773 -1.248 -0.741 1.00 0.00 N ATOM 941 CA ILE A 61 5.786 0.192 -0.476 1.00 0.00 C ATOM 942 C ILE A 61 7.040 0.849 -1.061 1.00 0.00 C ATOM 943 O ILE A 61 6.957 1.623 -2.013 1.00 0.00 O ATOM 944 CB ILE A 61 5.733 0.437 1.037 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.357 0.023 1.560 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.982 1.916 1.343 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.502 -0.591 2.952 1.00 0.00 C ATOM 0 H ILE A 61 5.638 -1.826 0.088 1.00 0.00 H new ATOM 0 HA ILE A 61 4.913 0.637 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 61 6.507 -0.153 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.696 0.889 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.899 -0.696 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.942 2.076 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.965 2.204 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.217 2.522 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.521 -0.886 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.148 -1.468 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.941 0.142 3.629 1.00 0.00 H new ATOM 959 N ASP A 62 8.193 0.538 -0.467 1.00 0.00 N ATOM 960 CA ASP A 62 9.471 1.104 -0.918 1.00 0.00 C ATOM 961 C ASP A 62 9.677 0.925 -2.430 1.00 0.00 C ATOM 962 O ASP A 62 10.242 1.799 -3.092 1.00 0.00 O ATOM 963 CB ASP A 62 10.636 0.438 -0.176 1.00 0.00 C ATOM 964 CG ASP A 62 11.888 1.305 -0.299 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.023 2.230 0.483 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.692 1.029 -1.176 1.00 0.00 O ATOM 0 H ASP A 62 8.271 -0.100 0.325 1.00 0.00 H new ATOM 0 HA ASP A 62 9.444 2.171 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.379 0.300 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.825 -0.552 -0.591 1.00 0.00 H new ATOM 971 N GLU A 63 9.226 -0.217 -2.966 1.00 0.00 N ATOM 972 CA GLU A 63 9.382 -0.504 -4.399 1.00 0.00 C ATOM 973 C GLU A 63 8.558 0.455 -5.266 1.00 0.00 C ATOM 974 O GLU A 63 9.071 1.015 -6.238 1.00 0.00 O ATOM 975 CB GLU A 63 8.952 -1.941 -4.716 1.00 0.00 C ATOM 976 CG GLU A 63 10.124 -2.899 -4.478 1.00 0.00 C ATOM 977 CD GLU A 63 10.924 -3.067 -5.768 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.489 -3.828 -6.618 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.961 -2.435 -5.886 1.00 0.00 O ATOM 0 H GLU A 63 8.755 -0.950 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 63 10.439 -0.371 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.106 -2.224 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.618 -2.010 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.767 -2.512 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.752 -3.867 -4.141 1.00 0.00 H new ATOM 986 N VAL A 64 7.275 0.623 -4.924 1.00 0.00 N ATOM 987 CA VAL A 64 6.390 1.500 -5.706 1.00 0.00 C ATOM 988 C VAL A 64 6.645 2.982 -5.418 1.00 0.00 C ATOM 989 O VAL A 64 6.353 3.834 -6.260 1.00 0.00 O ATOM 990 CB VAL A 64 4.910 1.195 -5.432 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.638 -0.297 -5.648 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.548 1.584 -3.993 1.00 0.00 C ATOM 0 H VAL A 64 6.830 0.172 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 64 6.618 1.298 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 64 4.297 1.776 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.587 -0.507 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.876 -0.565 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.258 -0.882 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.496 1.363 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.165 1.016 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.726 2.650 -3.849 1.00 0.00 H new ATOM 1002 N ASP A 65 7.177 3.291 -4.228 1.00 0.00 N ATOM 1003 CA ASP A 65 7.442 4.681 -3.867 1.00 0.00 C ATOM 1004 C ASP A 65 8.617 5.212 -4.691 1.00 0.00 C ATOM 1005 O ASP A 65 9.776 5.157 -4.268 1.00 0.00 O ATOM 1006 CB ASP A 65 7.754 4.815 -2.370 1.00 0.00 C ATOM 1007 CG ASP A 65 7.059 6.055 -1.796 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.026 7.072 -2.473 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.566 5.967 -0.683 1.00 0.00 O ATOM 0 H ASP A 65 7.427 2.608 -3.513 1.00 0.00 H new ATOM 0 HA ASP A 65 6.548 5.267 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.420 3.923 -1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.831 4.890 -2.220 1.00 0.00 H new ATOM 1014 N GLU A 66 8.296 5.706 -5.886 1.00 0.00 N ATOM 1015 CA GLU A 66 9.314 6.233 -6.800 1.00 0.00 C ATOM 1016 C GLU A 66 9.871 7.572 -6.310 1.00 0.00 C ATOM 1017 O GLU A 66 11.056 7.861 -6.486 1.00 0.00 O ATOM 1018 CB GLU A 66 8.723 6.426 -8.199 1.00 0.00 C ATOM 1019 CG GLU A 66 8.736 5.090 -8.949 1.00 0.00 C ATOM 1020 CD GLU A 66 8.681 5.346 -10.452 1.00 0.00 C ATOM 1021 OE1 GLU A 66 9.734 5.525 -11.042 1.00 0.00 O ATOM 1022 OE2 GLU A 66 7.587 5.357 -10.991 1.00 0.00 O ATOM 0 H GLU A 66 7.342 5.753 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 66 10.126 5.506 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.703 6.804 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.299 7.170 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.637 4.529 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.886 4.481 -8.642 1.00 0.00 H new ATOM 1029 N ASP A 67 9.007 8.386 -5.696 1.00 0.00 N ATOM 1030 CA ASP A 67 9.433 9.696 -5.189 1.00 0.00 C ATOM 1031 C ASP A 67 9.968 9.586 -3.758 1.00 0.00 C ATOM 1032 O ASP A 67 10.936 10.259 -3.397 1.00 0.00 O ATOM 1033 CB ASP A 67 8.284 10.725 -5.221 1.00 0.00 C ATOM 1034 CG ASP A 67 6.937 10.053 -4.933 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.670 9.765 -3.779 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.194 9.842 -5.875 1.00 0.00 O ATOM 0 H ASP A 67 8.023 8.167 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 67 10.229 10.041 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.470 11.506 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.252 11.209 -6.197 1.00 0.00 H new ATOM 1041 N GLY A 68 9.327 8.739 -2.948 1.00 0.00 N ATOM 1042 CA GLY A 68 9.743 8.556 -1.557 1.00 0.00 C ATOM 1043 C GLY A 68 9.297 9.744 -0.709 1.00 0.00 C ATOM 1044 O GLY A 68 10.082 10.303 0.060 1.00 0.00 O ATOM 0 H GLY A 68 8.525 8.174 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.314 7.636 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.827 8.450 -1.505 1.00 0.00 H new ATOM 1048 N SER A 69 8.027 10.125 -0.865 1.00 0.00 N ATOM 1049 CA SER A 69 7.473 11.256 -0.121 1.00 0.00 C ATOM 1050 C SER A 69 6.879 10.791 1.211 1.00 0.00 C ATOM 1051 O SER A 69 7.163 11.365 2.263 1.00 0.00 O ATOM 1052 CB SER A 69 6.384 11.954 -0.945 1.00 0.00 C ATOM 1053 OG SER A 69 5.424 10.995 -1.380 1.00 0.00 O ATOM 0 H SER A 69 7.367 9.670 -1.496 1.00 0.00 H new ATOM 0 HA SER A 69 8.284 11.957 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.898 12.724 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.829 12.454 -1.805 1.00 0.00 H new ATOM 0 HG SER A 69 5.744 10.560 -2.198 1.00 0.00 H new ATOM 1059 N GLY A 70 6.045 9.751 1.145 1.00 0.00 N ATOM 1060 CA GLY A 70 5.399 9.211 2.342 1.00 0.00 C ATOM 1061 C GLY A 70 4.008 8.677 2.003 1.00 0.00 C ATOM 1062 O GLY A 70 3.533 7.719 2.615 1.00 0.00 O ATOM 0 H GLY A 70 5.802 9.268 0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.009 8.412 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.322 9.988 3.103 1.00 0.00 H new ATOM 1066 N THR A 71 3.366 9.310 1.015 1.00 0.00 N ATOM 1067 CA THR A 71 2.030 8.899 0.584 1.00 0.00 C ATOM 1068 C THR A 71 2.116 8.121 -0.729 1.00 0.00 C ATOM 1069 O THR A 71 3.031 8.331 -1.530 1.00 0.00 O ATOM 1070 CB THR A 71 1.121 10.122 0.387 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.568 10.880 -0.735 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.152 10.996 1.644 1.00 0.00 C ATOM 0 H THR A 71 3.749 10.104 0.503 1.00 0.00 H new ATOM 0 HA THR A 71 1.606 8.262 1.360 1.00 0.00 H new ATOM 0 HB THR A 71 0.100 9.784 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.090 11.735 -0.764 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.506 11.862 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.799 10.418 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.173 11.331 1.829 1.00 0.00 H new ATOM 1080 N VAL A 72 1.152 7.224 -0.943 1.00 0.00 N ATOM 1081 CA VAL A 72 1.128 6.424 -2.165 1.00 0.00 C ATOM 1082 C VAL A 72 0.229 7.082 -3.205 1.00 0.00 C ATOM 1083 O VAL A 72 -0.970 7.261 -2.985 1.00 0.00 O ATOM 1084 CB VAL A 72 0.614 5.007 -1.889 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.802 4.144 -3.140 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.396 4.394 -0.725 1.00 0.00 C ATOM 0 H VAL A 72 0.388 7.036 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 72 2.149 6.363 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.444 5.050 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.437 3.136 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.243 4.578 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.860 4.103 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.029 3.386 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.455 4.351 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.262 5.007 0.166 1.00 0.00 H new ATOM 1096 N ASP A 73 0.824 7.426 -4.347 1.00 0.00 N ATOM 1097 CA ASP A 73 0.071 8.058 -5.432 1.00 0.00 C ATOM 1098 C ASP A 73 -0.598 6.982 -6.286 1.00 0.00 C ATOM 1099 O ASP A 73 -0.339 5.791 -6.111 1.00 0.00 O ATOM 1100 CB ASP A 73 0.995 8.906 -6.327 1.00 0.00 C ATOM 1101 CG ASP A 73 2.078 9.591 -5.490 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.728 10.343 -4.593 1.00 0.00 O ATOM 1103 OD2 ASP A 73 3.243 9.354 -5.761 1.00 0.00 O ATOM 0 H ASP A 73 1.814 7.280 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.682 8.710 -4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.459 8.273 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.408 9.657 -6.856 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.459 7.410 -7.211 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.154 6.463 -8.089 1.00 0.00 C ATOM 1110 C PHE A 74 -1.150 5.664 -8.925 1.00 0.00 C ATOM 1111 O PHE A 74 -1.358 4.480 -9.192 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.126 7.200 -9.022 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.129 6.226 -9.605 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.685 5.218 -8.805 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.504 6.337 -10.949 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.612 4.323 -9.350 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.432 5.442 -11.493 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.985 4.434 -10.694 1.00 0.00 C ATOM 0 H PHE A 74 -1.690 8.390 -7.372 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.719 5.776 -7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.646 7.984 -8.472 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.573 7.688 -9.824 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.398 5.132 -7.767 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.077 7.114 -11.566 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.040 3.546 -8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.722 5.529 -12.530 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.699 3.742 -11.115 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.048 6.318 -9.316 1.00 0.00 N ATOM 1129 CA ASP A 75 0.990 5.650 -10.105 1.00 0.00 C ATOM 1130 C ASP A 75 1.686 4.578 -9.268 1.00 0.00 C ATOM 1131 O ASP A 75 1.984 3.492 -9.760 1.00 0.00 O ATOM 1132 CB ASP A 75 2.035 6.661 -10.589 1.00 0.00 C ATOM 1133 CG ASP A 75 1.653 7.160 -11.980 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.870 8.092 -12.058 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.149 6.602 -12.945 1.00 0.00 O ATOM 0 H ASP A 75 0.145 7.296 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 75 0.510 5.187 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.095 7.499 -9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.021 6.197 -10.615 1.00 0.00 H new ATOM 1140 N GLU A 76 1.926 4.899 -7.991 1.00 0.00 N ATOM 1141 CA GLU A 76 2.576 3.957 -7.068 1.00 0.00 C ATOM 1142 C GLU A 76 1.577 2.894 -6.592 1.00 0.00 C ATOM 1143 O GLU A 76 1.965 1.806 -6.160 1.00 0.00 O ATOM 1144 CB GLU A 76 3.132 4.696 -5.842 1.00 0.00 C ATOM 1145 CG GLU A 76 3.747 6.036 -6.266 1.00 0.00 C ATOM 1146 CD GLU A 76 4.477 6.677 -5.083 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.864 6.833 -4.040 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.638 7.016 -5.243 1.00 0.00 O ATOM 0 H GLU A 76 1.682 5.797 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 76 3.394 3.477 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.335 4.866 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.885 4.082 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.442 5.881 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.966 6.705 -6.628 1.00 0.00 H new ATOM 1155 N PHE A 77 0.287 3.228 -6.678 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.781 2.318 -6.259 1.00 0.00 C ATOM 1157 C PHE A 77 -1.013 1.228 -7.314 1.00 0.00 C ATOM 1158 O PHE A 77 -1.218 0.062 -6.975 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.076 3.118 -6.042 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.207 2.208 -5.620 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.291 1.752 -4.297 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.180 1.831 -6.555 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.349 0.918 -3.912 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.236 0.996 -6.169 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.321 0.540 -4.847 1.00 0.00 C ATOM 0 H PHE A 77 -0.043 4.125 -7.035 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.486 1.835 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.914 3.881 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.346 3.638 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.542 2.043 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.116 2.184 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.415 0.566 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.985 0.704 -6.890 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.136 -0.103 -4.549 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.989 1.623 -8.592 1.00 0.00 N ATOM 1176 CA LEU A 78 -1.210 0.674 -9.688 1.00 0.00 C ATOM 1177 C LEU A 78 0.019 -0.202 -9.947 1.00 0.00 C ATOM 1178 O LEU A 78 -0.117 -1.390 -10.251 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.553 1.425 -10.972 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.924 2.104 -10.977 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.805 3.482 -11.626 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.916 1.246 -11.766 1.00 0.00 C ATOM 0 H LEU A 78 -0.820 2.584 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.037 0.030 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.789 2.182 -11.148 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.507 0.726 -11.807 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.280 2.216 -9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.781 3.968 -11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.099 4.091 -11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.450 3.372 -12.651 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.893 1.730 -11.770 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.564 1.132 -12.791 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.999 0.264 -11.300 1.00 0.00 H new ATOM 1194 N VAL A 79 1.216 0.388 -9.834 1.00 0.00 N ATOM 1195 CA VAL A 79 2.456 -0.367 -10.072 1.00 0.00 C ATOM 1196 C VAL A 79 2.556 -1.577 -9.145 1.00 0.00 C ATOM 1197 O VAL A 79 3.164 -2.578 -9.501 1.00 0.00 O ATOM 1198 CB VAL A 79 3.708 0.501 -9.878 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.818 1.514 -11.019 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.638 1.237 -8.538 1.00 0.00 C ATOM 0 H VAL A 79 1.353 1.367 -9.584 1.00 0.00 H new ATOM 0 HA VAL A 79 2.412 -0.699 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 79 4.587 -0.143 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.708 2.127 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.890 0.985 -11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.935 2.152 -11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.531 1.849 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.755 1.876 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.578 0.511 -7.727 1.00 0.00 H new ATOM 1210 N MET A 80 1.956 -1.471 -7.955 1.00 0.00 N ATOM 1211 CA MET A 80 1.979 -2.565 -6.972 1.00 0.00 C ATOM 1212 C MET A 80 1.715 -3.933 -7.623 1.00 0.00 C ATOM 1213 O MET A 80 2.257 -4.949 -7.184 1.00 0.00 O ATOM 1214 CB MET A 80 0.919 -2.328 -5.894 1.00 0.00 C ATOM 1215 CG MET A 80 1.565 -1.697 -4.659 1.00 0.00 C ATOM 1216 SD MET A 80 0.646 -2.184 -3.176 1.00 0.00 S ATOM 1217 CE MET A 80 -0.966 -1.518 -3.666 1.00 0.00 C ATOM 0 H MET A 80 1.449 -0.641 -7.647 1.00 0.00 H new ATOM 0 HA MET A 80 2.977 -2.575 -6.533 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.136 -1.675 -6.279 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.444 -3.271 -5.625 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.604 -2.016 -4.576 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.572 -0.611 -4.755 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.614 -1.453 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.834 -0.525 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.421 -2.175 -4.407 1.00 0.00 H new ATOM 1227 N MET A 81 0.870 -3.951 -8.659 1.00 0.00 N ATOM 1228 CA MET A 81 0.538 -5.205 -9.346 1.00 0.00 C ATOM 1229 C MET A 81 1.633 -5.623 -10.338 1.00 0.00 C ATOM 1230 O MET A 81 2.009 -6.795 -10.398 1.00 0.00 O ATOM 1231 CB MET A 81 -0.786 -5.061 -10.109 1.00 0.00 C ATOM 1232 CG MET A 81 -1.947 -4.961 -9.117 1.00 0.00 C ATOM 1233 SD MET A 81 -2.245 -6.580 -8.365 1.00 0.00 S ATOM 1234 CE MET A 81 -2.542 -5.997 -6.677 1.00 0.00 C ATOM 0 H MET A 81 0.408 -3.124 -9.037 1.00 0.00 H new ATOM 0 HA MET A 81 0.451 -5.974 -8.578 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.758 -4.173 -10.741 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.931 -5.917 -10.768 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.716 -4.227 -8.345 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.846 -4.615 -9.627 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.504 -6.841 -5.988 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.777 -5.270 -6.403 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.524 -5.528 -6.622 1.00 0.00 H new ATOM 1244 N VAL A 82 2.117 -4.661 -11.129 1.00 0.00 N ATOM 1245 CA VAL A 82 3.149 -4.946 -12.143 1.00 0.00 C ATOM 1246 C VAL A 82 4.563 -5.026 -11.545 1.00 0.00 C ATOM 1247 O VAL A 82 5.418 -5.740 -12.074 1.00 0.00 O ATOM 1248 CB VAL A 82 3.133 -3.883 -13.251 1.00 0.00 C ATOM 1249 CG1 VAL A 82 1.858 -4.030 -14.086 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.171 -2.480 -12.638 1.00 0.00 C ATOM 0 H VAL A 82 1.818 -3.687 -11.092 1.00 0.00 H new ATOM 0 HA VAL A 82 2.903 -5.923 -12.559 1.00 0.00 H new ATOM 0 HB VAL A 82 4.009 -4.023 -13.884 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.849 -3.275 -14.872 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.830 -5.022 -14.536 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.986 -3.898 -13.445 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.159 -1.735 -13.434 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.301 -2.340 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.080 -2.366 -12.047 1.00 0.00 H new ATOM 1260 N ARG A 83 4.808 -4.299 -10.448 1.00 0.00 N ATOM 1261 CA ARG A 83 6.131 -4.313 -9.806 1.00 0.00 C ATOM 1262 C ARG A 83 6.451 -5.695 -9.220 1.00 0.00 C ATOM 1263 O ARG A 83 7.616 -6.023 -8.988 1.00 0.00 O ATOM 1264 CB ARG A 83 6.216 -3.259 -8.688 1.00 0.00 C ATOM 1265 CG ARG A 83 5.159 -3.538 -7.611 1.00 0.00 C ATOM 1266 CD ARG A 83 5.786 -4.324 -6.454 1.00 0.00 C ATOM 1267 NE ARG A 83 4.874 -5.371 -5.985 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.295 -6.384 -5.215 1.00 0.00 C ATOM 1269 NH1 ARG A 83 6.553 -6.475 -4.852 1.00 0.00 N ATOM 1270 NH2 ARG A 83 4.440 -7.293 -4.820 1.00 0.00 N ATOM 0 H ARG A 83 4.120 -3.701 -9.991 1.00 0.00 H new ATOM 0 HA ARG A 83 6.862 -4.076 -10.579 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.211 -3.271 -8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.066 -2.263 -9.105 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.746 -2.599 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.331 -4.103 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.725 -4.772 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.023 -3.647 -5.634 1.00 0.00 H new ATOM 0 HE ARG A 83 3.891 -5.327 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.224 -5.769 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.860 -7.251 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.461 -7.227 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.753 -8.067 -4.234 1.00 0.00 H new ATOM 1284 N CYS A 84 5.405 -6.501 -8.991 1.00 0.00 N ATOM 1285 CA CYS A 84 5.586 -7.846 -8.440 1.00 0.00 C ATOM 1286 C CYS A 84 6.319 -8.761 -9.431 1.00 0.00 C ATOM 1287 O CYS A 84 6.903 -9.770 -9.033 1.00 0.00 O ATOM 1288 CB CYS A 84 4.228 -8.469 -8.098 1.00 0.00 C ATOM 1289 SG CYS A 84 4.461 -9.835 -6.933 1.00 0.00 S ATOM 0 H CYS A 84 4.435 -6.246 -9.177 1.00 0.00 H new ATOM 0 HA CYS A 84 6.188 -7.751 -7.536 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.570 -7.716 -7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.744 -8.830 -9.005 1.00 0.00 H new ATOM 0 HG CYS A 84 5.570 -10.455 -7.208 1.00 0.00 H new