USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 675 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 55 HIS :FLIP no HD1:sc= -2.37 F(o=-5,f=-2.4) USER MOD Set 1.2: A 90 SER OG : rot -51:sc= 0.00735 USER MOD Set 2.1: A 31 LYS NZ :NH3+ 177:sc= 1.33 (180deg=0) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= 1.02 USER MOD Set 3.1: A 17 MET CE :methyl 140:sc= -1.64 (180deg=-5.21!) USER MOD Set 3.2: A 50 TYR OH : rot 30:sc= -1.4 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.92) USER MOD Single : A 13 MET CE :methyl 150:sc= -4.98! (180deg=-6.11!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.544 F(o=-1.3,f=-0.54) USER MOD Single : A 19 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.7!) USER MOD Single : A 24 CYS SG : rot -24:sc= -2.38 USER MOD Single : A 26 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 27 GLN : amide:sc= -2.05 K(o=-2,f=-2.6!) USER MOD Single : A 29 MET CE :methyl -139:sc= -0.437 (180deg=-2.67) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.719 F(o=-3.1!,f=-0.72) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.0459 (180deg=-0.29) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -1.4 (180deg=-2.5!) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0347 (180deg=-0.227) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0356 (180deg=-0.272) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.96! C(o=-4.7!,f=-3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 56 CYS SG : rot -55:sc= -3.28! USER MOD Single : A 61 SER OG : rot -47:sc= 1.01 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.543 F(o=-3.3,f=-0.54) USER MOD Single : A 66 SER OG : rot -56:sc= 1.18 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.311 K(o=-0.31,f=-1.1) USER MOD Single : A 72 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= -2.71! (180deg=-4.98!) USER MOD Single : A 74 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-5.3!) USER MOD Single : A 77 TYR OH : rot 130:sc=-0.00434 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -1.96! C(o=-4.5!,f=-2!) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0807 (180deg=-0.393) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 5.987 6.076 7.131 1.00 0.00 N ATOM 90 CA ALA A 6 5.160 4.880 7.005 1.00 0.00 C ATOM 91 C ALA A 6 5.082 4.123 8.326 1.00 0.00 C ATOM 92 O ALA A 6 6.080 3.585 8.804 1.00 0.00 O ATOM 93 CB ALA A 6 5.703 3.977 5.906 1.00 0.00 C ATOM 0 HA ALA A 6 4.151 5.193 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.077 3.089 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.698 4.515 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.723 3.680 6.150 1.00 0.00 H new ATOM 99 N VAL A 7 3.889 4.088 8.912 1.00 0.00 N ATOM 100 CA VAL A 7 3.684 3.399 10.180 1.00 0.00 C ATOM 101 C VAL A 7 2.697 2.245 10.030 1.00 0.00 C ATOM 102 O VAL A 7 1.526 2.455 9.716 1.00 0.00 O ATOM 103 CB VAL A 7 3.171 4.363 11.269 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.003 3.639 12.597 1.00 0.00 C ATOM 105 CG2 VAL A 7 4.113 5.551 11.416 1.00 0.00 C ATOM 0 H VAL A 7 3.052 4.528 8.530 1.00 0.00 H new ATOM 0 HA VAL A 7 4.654 3.004 10.483 1.00 0.00 H new ATOM 0 HB VAL A 7 2.194 4.736 10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.640 4.339 13.350 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.285 2.827 12.481 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.963 3.231 12.913 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.736 6.221 12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.105 5.196 11.696 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.173 6.087 10.469 1.00 0.00 H new ATOM 115 N ILE A 8 3.179 1.028 10.261 1.00 0.00 N ATOM 116 CA ILE A 8 2.339 -0.160 10.156 1.00 0.00 C ATOM 117 C ILE A 8 1.626 -0.440 11.476 1.00 0.00 C ATOM 118 O ILE A 8 2.133 -0.109 12.549 1.00 0.00 O ATOM 119 CB ILE A 8 3.166 -1.397 9.754 1.00 0.00 C ATOM 120 CG1 ILE A 8 3.918 -1.130 8.447 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.269 -2.618 9.612 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.758 -2.300 7.983 1.00 0.00 C ATOM 0 H ILE A 8 4.147 0.839 10.522 1.00 0.00 H new ATOM 0 HA ILE A 8 1.599 0.037 9.380 1.00 0.00 H new ATOM 0 HB ILE A 8 3.894 -1.597 10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.198 -0.878 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.562 -0.261 8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.871 -3.481 9.328 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.774 -2.818 10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.518 -2.431 8.844 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.262 -2.040 7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.501 -2.538 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.117 -3.166 7.819 1.00 0.00 H new ATOM 134 N LYS A 9 0.450 -1.052 11.392 1.00 0.00 N ATOM 135 CA LYS A 9 -0.331 -1.376 12.581 1.00 0.00 C ATOM 136 C LYS A 9 -0.314 -2.878 12.854 1.00 0.00 C ATOM 137 O LYS A 9 0.204 -3.328 13.875 1.00 0.00 O ATOM 138 CB LYS A 9 -1.775 -0.887 12.417 1.00 0.00 C ATOM 139 CG LYS A 9 -2.690 -1.231 13.587 1.00 0.00 C ATOM 140 CD LYS A 9 -2.589 -0.217 14.722 1.00 0.00 C ATOM 141 CE LYS A 9 -1.188 -0.146 15.307 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.141 0.706 16.526 1.00 0.00 N ATOM 0 H LYS A 9 0.016 -1.334 10.513 1.00 0.00 H new ATOM 0 HA LYS A 9 0.122 -0.868 13.433 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.767 0.195 12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.191 -1.318 11.506 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.721 -1.278 13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.436 -2.221 13.965 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.877 0.768 14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.296 -0.483 15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.845 -1.151 15.553 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.501 0.251 14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.169 0.730 16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.444 1.672 16.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.777 0.313 17.249 1.00 0.00 H new ATOM 156 N ASN A 10 -0.887 -3.648 11.934 1.00 0.00 N ATOM 157 CA ASN A 10 -0.938 -5.099 12.080 1.00 0.00 C ATOM 158 C ASN A 10 -0.808 -5.787 10.725 1.00 0.00 C ATOM 159 O ASN A 10 -1.025 -5.172 9.681 1.00 0.00 O ATOM 160 CB ASN A 10 -2.245 -5.516 12.757 1.00 0.00 C ATOM 161 CG ASN A 10 -2.341 -7.015 12.963 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.503 -7.617 13.634 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.367 -7.628 12.382 1.00 0.00 N ATOM 0 H ASN A 10 -1.321 -3.293 11.082 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.099 -5.408 12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.327 -5.014 13.721 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.087 -5.181 12.151 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.483 -8.636 12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.039 -7.090 11.834 1.00 0.00 H new ATOM 170 N ALA A 11 -0.452 -7.067 10.751 1.00 0.00 N ATOM 171 CA ALA A 11 -0.293 -7.843 9.527 1.00 0.00 C ATOM 172 C ALA A 11 -0.461 -9.333 9.798 1.00 0.00 C ATOM 173 O ALA A 11 0.382 -9.956 10.443 1.00 0.00 O ATOM 174 CB ALA A 11 1.066 -7.567 8.902 1.00 0.00 C ATOM 0 H ALA A 11 -0.268 -7.589 11.608 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.071 -7.538 8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.172 -8.153 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.149 -6.506 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.852 -7.844 9.604 1.00 0.00 H new ATOM 180 N ASP A 12 -1.555 -9.900 9.300 1.00 0.00 N ATOM 181 CA ASP A 12 -1.832 -11.319 9.488 1.00 0.00 C ATOM 182 C ASP A 12 -1.383 -12.119 8.267 1.00 0.00 C ATOM 183 O ASP A 12 -2.057 -13.053 7.837 1.00 0.00 O ATOM 184 CB ASP A 12 -3.327 -11.535 9.747 1.00 0.00 C ATOM 185 CG ASP A 12 -3.636 -12.917 10.294 1.00 0.00 C ATOM 186 OD1 ASP A 12 -3.357 -13.914 9.598 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.159 -13.001 11.426 1.00 0.00 O ATOM 0 H ASP A 12 -2.263 -9.399 8.764 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.271 -11.671 10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.681 -10.783 10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.877 -11.386 8.818 1.00 0.00 H new ATOM 192 N MET A 13 -0.231 -11.747 7.717 1.00 0.00 N ATOM 193 CA MET A 13 0.320 -12.427 6.556 1.00 0.00 C ATOM 194 C MET A 13 1.655 -13.075 6.901 1.00 0.00 C ATOM 195 O MET A 13 2.217 -12.825 7.968 1.00 0.00 O ATOM 196 CB MET A 13 0.506 -11.444 5.398 1.00 0.00 C ATOM 197 CG MET A 13 -0.663 -11.392 4.433 1.00 0.00 C ATOM 198 SD MET A 13 -2.129 -10.641 5.155 1.00 0.00 S ATOM 199 CE MET A 13 -3.268 -10.746 3.780 1.00 0.00 C ATOM 0 H MET A 13 0.339 -10.974 8.061 1.00 0.00 H new ATOM 0 HA MET A 13 -0.382 -13.204 6.252 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.671 -10.447 5.806 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.406 -11.716 4.847 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.371 -10.830 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.903 -12.403 4.105 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.286 -10.841 4.157 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.189 -9.845 3.172 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.024 -11.617 3.171 1.00 0.00 H new ATOM 209 N SER A 14 2.162 -13.902 5.996 1.00 0.00 N ATOM 210 CA SER A 14 3.437 -14.576 6.213 1.00 0.00 C ATOM 211 C SER A 14 4.533 -13.560 6.513 1.00 0.00 C ATOM 212 O SER A 14 5.297 -13.726 7.462 1.00 0.00 O ATOM 213 CB SER A 14 3.814 -15.409 4.987 1.00 0.00 C ATOM 214 OG SER A 14 5.054 -16.067 5.181 1.00 0.00 O ATOM 0 H SER A 14 1.712 -14.122 5.107 1.00 0.00 H new ATOM 0 HA SER A 14 3.333 -15.241 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.035 -16.145 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.874 -14.765 4.110 1.00 0.00 H new ATOM 0 HG SER A 14 5.273 -16.594 4.384 1.00 0.00 H new ATOM 220 N GLU A 15 4.578 -12.506 5.693 1.00 0.00 N ATOM 221 CA GLU A 15 5.553 -11.414 5.823 1.00 0.00 C ATOM 222 C GLU A 15 5.973 -10.905 4.452 1.00 0.00 C ATOM 223 O GLU A 15 6.184 -9.706 4.255 1.00 0.00 O ATOM 224 CB GLU A 15 6.806 -11.836 6.605 1.00 0.00 C ATOM 225 CG GLU A 15 7.557 -13.001 5.980 1.00 0.00 C ATOM 226 CD GLU A 15 8.784 -13.397 6.777 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.684 -12.545 6.944 1.00 0.00 O ATOM 228 OE2 GLU A 15 8.847 -14.558 7.233 1.00 0.00 O ATOM 0 H GLU A 15 3.933 -12.384 4.912 1.00 0.00 H new ATOM 0 HA GLU A 15 5.056 -10.621 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.479 -10.982 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.515 -12.106 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.888 -13.858 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.857 -12.734 4.967 1.00 0.00 H new ATOM 235 N ASP A 16 6.077 -11.821 3.500 1.00 0.00 N ATOM 236 CA ASP A 16 6.463 -11.464 2.144 1.00 0.00 C ATOM 237 C ASP A 16 5.404 -10.586 1.498 1.00 0.00 C ATOM 238 O ASP A 16 5.642 -9.965 0.465 1.00 0.00 O ATOM 239 CB ASP A 16 6.685 -12.723 1.302 1.00 0.00 C ATOM 240 CG ASP A 16 7.785 -13.605 1.862 1.00 0.00 C ATOM 241 OD1 ASP A 16 7.654 -14.055 3.019 1.00 0.00 O ATOM 242 OD2 ASP A 16 8.775 -13.846 1.142 1.00 0.00 O ATOM 0 H ASP A 16 5.900 -12.815 3.642 1.00 0.00 H new ATOM 0 HA ASP A 16 7.397 -10.904 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.757 -13.292 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.938 -12.435 0.282 1.00 0.00 H new ATOM 247 N MET A 17 4.230 -10.533 2.115 1.00 0.00 N ATOM 248 CA MET A 17 3.145 -9.723 1.595 1.00 0.00 C ATOM 249 C MET A 17 3.194 -8.334 2.178 1.00 0.00 C ATOM 250 O MET A 17 3.090 -7.351 1.453 1.00 0.00 O ATOM 251 CB MET A 17 1.803 -10.390 1.881 1.00 0.00 C ATOM 252 CG MET A 17 1.613 -11.710 1.154 1.00 0.00 C ATOM 253 SD MET A 17 0.031 -12.490 1.533 1.00 0.00 S ATOM 254 CE MET A 17 0.174 -14.020 0.611 1.00 0.00 C ATOM 0 H MET A 17 4.009 -11.040 2.972 1.00 0.00 H new ATOM 0 HA MET A 17 3.260 -9.637 0.514 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.712 -10.559 2.954 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.000 -9.709 1.597 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.683 -11.542 0.079 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.422 -12.389 1.424 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.242 -14.839 1.198 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.373 -13.932 -0.328 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.224 -14.221 0.401 1.00 0.00 H new ATOM 264 N GLN A 18 3.398 -8.246 3.478 1.00 0.00 N ATOM 265 CA GLN A 18 3.515 -6.948 4.107 1.00 0.00 C ATOM 266 C GLN A 18 4.774 -6.264 3.580 1.00 0.00 C ATOM 267 O GLN A 18 4.915 -5.045 3.662 1.00 0.00 O ATOM 268 CB GLN A 18 3.530 -7.066 5.637 1.00 0.00 C ATOM 269 CG GLN A 18 4.441 -8.156 6.176 1.00 0.00 C ATOM 270 CD GLN A 18 4.218 -8.408 7.654 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.637 -9.562 7.975 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 4.545 -7.572 8.497 1.00 0.00 N flip ATOM 0 H GLN A 18 3.485 -9.043 4.109 1.00 0.00 H new ATOM 0 HA GLN A 18 2.645 -6.341 3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.839 -6.110 6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.514 -7.254 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.269 -9.079 5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.481 -7.874 6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.988 -6.701 8.206 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.373 -7.751 9.486 1.00 0.00 H new ATOM 281 N GLN A 19 5.670 -7.066 2.988 1.00 0.00 N ATOM 282 CA GLN A 19 6.895 -6.541 2.404 1.00 0.00 C ATOM 283 C GLN A 19 6.649 -6.122 0.960 1.00 0.00 C ATOM 284 O GLN A 19 7.022 -5.021 0.551 1.00 0.00 O ATOM 285 CB GLN A 19 8.020 -7.578 2.473 1.00 0.00 C ATOM 286 CG GLN A 19 8.505 -7.861 3.887 1.00 0.00 C ATOM 287 CD GLN A 19 9.143 -6.650 4.542 1.00 0.00 C ATOM 288 OE1 GLN A 19 8.498 -5.621 4.733 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.420 -6.769 4.886 1.00 0.00 N ATOM 0 H GLN A 19 5.563 -8.077 2.905 1.00 0.00 H new ATOM 0 HA GLN A 19 7.203 -5.667 2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.672 -8.509 2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.861 -7.230 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.664 -8.197 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.227 -8.678 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.917 -7.642 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.904 -5.987 5.328 1.00 0.00 H new ATOM 298 N ASP A 20 5.985 -6.990 0.200 1.00 0.00 N ATOM 299 CA ASP A 20 5.660 -6.680 -1.187 1.00 0.00 C ATOM 300 C ASP A 20 4.539 -5.649 -1.234 1.00 0.00 C ATOM 301 O ASP A 20 4.355 -4.955 -2.234 1.00 0.00 O ATOM 302 CB ASP A 20 5.259 -7.945 -1.948 1.00 0.00 C ATOM 303 CG ASP A 20 6.444 -8.848 -2.231 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.141 -9.237 -1.270 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.676 -9.167 -3.415 1.00 0.00 O ATOM 0 H ASP A 20 5.665 -7.905 0.519 1.00 0.00 H new ATOM 0 HA ASP A 20 6.545 -6.266 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.517 -8.494 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.786 -7.665 -2.889 1.00 0.00 H new ATOM 310 N ALA A 21 3.810 -5.544 -0.127 1.00 0.00 N ATOM 311 CA ALA A 21 2.722 -4.587 -0.009 1.00 0.00 C ATOM 312 C ALA A 21 3.283 -3.202 0.260 1.00 0.00 C ATOM 313 O ALA A 21 2.957 -2.242 -0.438 1.00 0.00 O ATOM 314 CB ALA A 21 1.761 -5.001 1.095 1.00 0.00 C ATOM 0 H ALA A 21 3.957 -6.116 0.705 1.00 0.00 H new ATOM 0 HA ALA A 21 2.167 -4.566 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.954 -4.272 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.344 -5.982 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.295 -5.046 2.044 1.00 0.00 H new ATOM 320 N VAL A 22 4.151 -3.109 1.263 1.00 0.00 N ATOM 321 CA VAL A 22 4.778 -1.838 1.597 1.00 0.00 C ATOM 322 C VAL A 22 5.585 -1.331 0.410 1.00 0.00 C ATOM 323 O VAL A 22 5.714 -0.125 0.203 1.00 0.00 O ATOM 324 CB VAL A 22 5.696 -1.951 2.834 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.388 -0.625 3.118 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.901 -2.405 4.048 1.00 0.00 C ATOM 0 H VAL A 22 4.433 -3.892 1.853 1.00 0.00 H new ATOM 0 HA VAL A 22 3.981 -1.134 1.836 1.00 0.00 H new ATOM 0 HB VAL A 22 6.462 -2.697 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.029 -0.729 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.993 -0.339 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.638 0.144 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.564 -2.479 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.112 -1.682 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.456 -3.380 3.848 1.00 0.00 H new ATOM 336 N ASP A 23 6.105 -2.263 -0.385 1.00 0.00 N ATOM 337 CA ASP A 23 6.875 -1.900 -1.569 1.00 0.00 C ATOM 338 C ASP A 23 5.935 -1.594 -2.708 1.00 0.00 C ATOM 339 O ASP A 23 6.068 -0.572 -3.368 1.00 0.00 O ATOM 340 CB ASP A 23 7.850 -3.015 -1.953 1.00 0.00 C ATOM 341 CG ASP A 23 8.686 -2.661 -3.166 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.100 -2.418 -4.241 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.929 -2.626 -3.041 1.00 0.00 O ATOM 0 H ASP A 23 6.008 -3.267 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 23 7.465 -1.011 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.509 -3.224 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.291 -3.929 -2.155 1.00 0.00 H new ATOM 348 N CYS A 24 4.953 -2.452 -2.908 1.00 0.00 N ATOM 349 CA CYS A 24 3.971 -2.212 -3.945 1.00 0.00 C ATOM 350 C CYS A 24 3.196 -0.944 -3.609 1.00 0.00 C ATOM 351 O CYS A 24 2.555 -0.348 -4.470 1.00 0.00 O ATOM 352 CB CYS A 24 3.023 -3.402 -4.086 1.00 0.00 C ATOM 353 SG CYS A 24 1.823 -3.231 -5.426 1.00 0.00 S ATOM 0 H CYS A 24 4.815 -3.310 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 24 4.481 -2.085 -4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.611 -4.304 -4.252 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.487 -3.539 -3.147 1.00 0.00 H new ATOM 0 HG CYS A 24 1.646 -1.971 -5.692 1.00 0.00 H new ATOM 359 N ALA A 25 3.296 -0.518 -2.345 1.00 0.00 N ATOM 360 CA ALA A 25 2.638 0.696 -1.897 1.00 0.00 C ATOM 361 C ALA A 25 3.570 1.879 -2.099 1.00 0.00 C ATOM 362 O ALA A 25 3.153 2.951 -2.532 1.00 0.00 O ATOM 363 CB ALA A 25 2.230 0.577 -0.436 1.00 0.00 C ATOM 0 H ALA A 25 3.828 -1.001 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 25 1.733 0.850 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.739 1.497 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.543 -0.261 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.116 0.409 0.177 1.00 0.00 H new ATOM 369 N THR A 26 4.848 1.661 -1.805 1.00 0.00 N ATOM 370 CA THR A 26 5.853 2.697 -1.977 1.00 0.00 C ATOM 371 C THR A 26 6.018 3.009 -3.456 1.00 0.00 C ATOM 372 O THR A 26 6.145 4.170 -3.848 1.00 0.00 O ATOM 373 CB THR A 26 7.188 2.254 -1.378 1.00 0.00 C ATOM 374 OG1 THR A 26 7.048 1.968 0.003 1.00 0.00 O ATOM 375 CG2 THR A 26 8.282 3.293 -1.520 1.00 0.00 C ATOM 0 H THR A 26 5.209 0.777 -1.447 1.00 0.00 H new ATOM 0 HA THR A 26 5.526 3.596 -1.455 1.00 0.00 H new ATOM 0 HB THR A 26 7.475 1.365 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.946 1.001 0.128 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.202 2.915 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.450 3.503 -2.576 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.982 4.209 -1.011 1.00 0.00 H new ATOM 383 N GLN A 27 5.990 1.962 -4.276 1.00 0.00 N ATOM 384 CA GLN A 27 6.113 2.126 -5.717 1.00 0.00 C ATOM 385 C GLN A 27 4.807 2.649 -6.281 1.00 0.00 C ATOM 386 O GLN A 27 4.798 3.527 -7.145 1.00 0.00 O ATOM 387 CB GLN A 27 6.485 0.802 -6.393 1.00 0.00 C ATOM 388 CG GLN A 27 7.727 0.141 -5.813 1.00 0.00 C ATOM 389 CD GLN A 27 8.908 1.086 -5.717 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.366 1.634 -6.719 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.408 1.277 -4.500 1.00 0.00 N ATOM 0 H GLN A 27 5.884 0.996 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 27 6.910 2.842 -5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.645 0.113 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.643 0.980 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.496 -0.246 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.001 -0.713 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.995 0.801 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.205 1.900 -4.368 1.00 0.00 H new ATOM 400 N ALA A 28 3.702 2.115 -5.781 1.00 0.00 N ATOM 401 CA ALA A 28 2.392 2.546 -6.235 1.00 0.00 C ATOM 402 C ALA A 28 2.101 3.975 -5.781 1.00 0.00 C ATOM 403 O ALA A 28 1.373 4.707 -6.448 1.00 0.00 O ATOM 404 CB ALA A 28 1.308 1.603 -5.740 1.00 0.00 C ATOM 0 H ALA A 28 3.688 1.388 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 28 2.394 2.525 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.336 1.948 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.497 0.599 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.312 1.584 -4.650 1.00 0.00 H new ATOM 410 N MET A 29 2.680 4.371 -4.649 1.00 0.00 N ATOM 411 CA MET A 29 2.477 5.715 -4.124 1.00 0.00 C ATOM 412 C MET A 29 3.378 6.715 -4.834 1.00 0.00 C ATOM 413 O MET A 29 3.022 7.883 -4.980 1.00 0.00 O ATOM 414 CB MET A 29 2.728 5.752 -2.615 1.00 0.00 C ATOM 415 CG MET A 29 1.598 5.150 -1.795 1.00 0.00 C ATOM 416 SD MET A 29 0.051 6.057 -1.981 1.00 0.00 S ATOM 417 CE MET A 29 0.542 7.685 -1.419 1.00 0.00 C ATOM 0 H MET A 29 3.290 3.782 -4.082 1.00 0.00 H new ATOM 0 HA MET A 29 1.440 5.994 -4.309 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.651 5.215 -2.395 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.879 6.786 -2.306 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.446 4.114 -2.097 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.884 5.137 -0.743 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.250 8.111 -0.803 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.457 7.607 -0.831 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.718 8.329 -2.280 1.00 0.00 H new ATOM 427 N GLU A 30 4.537 6.253 -5.288 1.00 0.00 N ATOM 428 CA GLU A 30 5.461 7.124 -5.998 1.00 0.00 C ATOM 429 C GLU A 30 5.090 7.167 -7.472 1.00 0.00 C ATOM 430 O GLU A 30 5.147 8.218 -8.113 1.00 0.00 O ATOM 431 CB GLU A 30 6.906 6.655 -5.828 1.00 0.00 C ATOM 432 CG GLU A 30 7.183 5.298 -6.446 1.00 0.00 C ATOM 433 CD GLU A 30 8.620 4.855 -6.252 1.00 0.00 C ATOM 434 OE1 GLU A 30 9.528 5.554 -6.753 1.00 0.00 O ATOM 435 OE2 GLU A 30 8.842 3.814 -5.600 1.00 0.00 O ATOM 0 H GLU A 30 4.856 5.290 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 30 5.385 8.126 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.573 7.392 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.143 6.616 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.515 4.558 -6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.958 5.335 -7.512 1.00 0.00 H new ATOM 442 N LYS A 31 4.683 6.016 -7.999 1.00 0.00 N ATOM 443 CA LYS A 31 4.269 5.916 -9.392 1.00 0.00 C ATOM 444 C LYS A 31 2.869 6.498 -9.559 1.00 0.00 C ATOM 445 O LYS A 31 2.530 7.053 -10.604 1.00 0.00 O ATOM 446 CB LYS A 31 4.289 4.458 -9.857 1.00 0.00 C ATOM 447 CG LYS A 31 3.866 4.274 -11.304 1.00 0.00 C ATOM 448 CD LYS A 31 3.887 2.811 -11.713 1.00 0.00 C ATOM 449 CE LYS A 31 5.281 2.215 -11.583 1.00 0.00 C ATOM 450 NZ LYS A 31 5.312 0.784 -11.991 1.00 0.00 N ATOM 0 H LYS A 31 4.632 5.139 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 31 4.970 6.483 -10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.295 4.058 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.629 3.873 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.863 4.677 -11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.532 4.843 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.190 2.248 -11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.544 2.715 -12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.978 2.783 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.620 2.306 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.288 0.429 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.705 0.228 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.965 0.694 -12.967 1.00 0.00 H new ATOM 464 N TYR A 32 2.069 6.378 -8.502 1.00 0.00 N ATOM 465 CA TYR A 32 0.708 6.899 -8.494 1.00 0.00 C ATOM 466 C TYR A 32 0.435 7.624 -7.189 1.00 0.00 C ATOM 467 O TYR A 32 0.794 7.148 -6.112 1.00 0.00 O ATOM 468 CB TYR A 32 -0.304 5.774 -8.716 1.00 0.00 C ATOM 469 CG TYR A 32 -0.292 5.232 -10.127 1.00 0.00 C ATOM 470 CD1 TYR A 32 -0.654 6.037 -11.201 1.00 0.00 C ATOM 471 CD2 TYR A 32 0.084 3.921 -10.388 1.00 0.00 C ATOM 472 CE1 TYR A 32 -0.641 5.551 -12.493 1.00 0.00 C ATOM 473 CE2 TYR A 32 0.098 3.428 -11.679 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.265 4.246 -12.727 1.00 0.00 C ATOM 475 OH TYR A 32 -0.250 3.758 -14.013 1.00 0.00 O ATOM 0 H TYR A 32 2.345 5.920 -7.634 1.00 0.00 H new ATOM 0 HA TYR A 32 0.601 7.610 -9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.093 4.962 -8.020 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.303 6.142 -8.484 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.950 7.060 -11.022 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.370 3.277 -9.570 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.924 6.190 -13.316 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.392 2.406 -11.866 1.00 0.00 H new ATOM 0 HH TYR A 32 0.040 2.822 -14.004 1.00 0.00 H new ATOM 485 N ASN A 33 -0.190 8.788 -7.293 1.00 0.00 N ATOM 486 CA ASN A 33 -0.502 9.593 -6.124 1.00 0.00 C ATOM 487 C ASN A 33 -2.006 9.653 -5.898 1.00 0.00 C ATOM 488 O ASN A 33 -2.489 10.433 -5.078 1.00 0.00 O ATOM 489 CB ASN A 33 0.057 11.011 -6.294 1.00 0.00 C ATOM 490 CG ASN A 33 1.567 11.050 -6.499 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.249 9.928 -6.268 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.123 12.093 -6.840 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.491 9.196 -8.178 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.038 9.128 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.430 11.485 -7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.197 11.601 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.571 12.934 -7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.136 12.117 -6.954 1.00 0.00 H new ATOM 499 N ILE A 34 -2.745 8.821 -6.628 1.00 0.00 N ATOM 500 CA ILE A 34 -4.189 8.789 -6.495 1.00 0.00 C ATOM 501 C ILE A 34 -4.589 7.842 -5.368 1.00 0.00 C ATOM 502 O ILE A 34 -3.763 7.467 -4.538 1.00 0.00 O ATOM 503 CB ILE A 34 -4.878 8.325 -7.799 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.930 8.415 -8.996 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.147 9.129 -8.042 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.624 8.405 -10.345 1.00 0.00 C ATOM 0 H ILE A 34 -2.366 8.166 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.514 9.805 -6.273 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.152 7.276 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.341 9.328 -8.910 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.231 7.580 -8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.621 8.791 -8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.833 8.986 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.897 10.186 -8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.879 8.472 -11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.190 7.480 -10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.302 9.256 -10.412 1.00 0.00 H new ATOM 518 N GLU A 35 -5.855 7.444 -5.355 1.00 0.00 N ATOM 519 CA GLU A 35 -6.357 6.526 -4.348 1.00 0.00 C ATOM 520 C GLU A 35 -6.997 5.309 -5.011 1.00 0.00 C ATOM 521 O GLU A 35 -7.038 4.223 -4.431 1.00 0.00 O ATOM 522 CB GLU A 35 -7.365 7.224 -3.434 1.00 0.00 C ATOM 523 CG GLU A 35 -8.578 7.772 -4.170 1.00 0.00 C ATOM 524 CD GLU A 35 -9.561 8.462 -3.244 1.00 0.00 C ATOM 525 OE1 GLU A 35 -9.297 8.513 -2.024 1.00 0.00 O ATOM 526 OE2 GLU A 35 -10.598 8.953 -3.738 1.00 0.00 O ATOM 0 H GLU A 35 -6.553 7.746 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.516 6.192 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.700 6.520 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.866 8.042 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.247 8.477 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.083 6.956 -4.687 1.00 0.00 H new ATOM 533 N LYS A 36 -7.482 5.494 -6.235 1.00 0.00 N ATOM 534 CA LYS A 36 -8.105 4.413 -6.982 1.00 0.00 C ATOM 535 C LYS A 36 -7.075 3.685 -7.841 1.00 0.00 C ATOM 536 O LYS A 36 -7.294 2.543 -8.244 1.00 0.00 O ATOM 537 CB LYS A 36 -9.232 4.956 -7.863 1.00 0.00 C ATOM 538 CG LYS A 36 -10.333 5.652 -7.080 1.00 0.00 C ATOM 539 CD LYS A 36 -10.989 4.709 -6.083 1.00 0.00 C ATOM 540 CE LYS A 36 -12.087 5.407 -5.298 1.00 0.00 C ATOM 541 NZ LYS A 36 -13.165 5.924 -6.186 1.00 0.00 N ATOM 0 H LYS A 36 -7.454 6.386 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.524 3.704 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.812 5.656 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.666 4.134 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.918 6.511 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.085 6.035 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.406 3.852 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.236 4.324 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.515 4.711 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.658 6.233 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.989 6.192 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.818 6.756 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.441 5.185 -6.863 1.00 0.00 H new ATOM 555 N ASP A 37 -5.944 4.340 -8.109 1.00 0.00 N ATOM 556 CA ASP A 37 -4.889 3.733 -8.903 1.00 0.00 C ATOM 557 C ASP A 37 -3.917 3.001 -8.000 1.00 0.00 C ATOM 558 O ASP A 37 -3.304 2.015 -8.402 1.00 0.00 O ATOM 559 CB ASP A 37 -4.161 4.788 -9.735 1.00 0.00 C ATOM 560 CG ASP A 37 -5.064 5.424 -10.773 1.00 0.00 C ATOM 561 OD1 ASP A 37 -6.112 5.981 -10.386 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.724 5.364 -11.973 1.00 0.00 O ATOM 0 H ASP A 37 -5.741 5.286 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.339 3.016 -9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.769 5.561 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.306 4.330 -10.232 1.00 0.00 H new ATOM 567 N ILE A 38 -3.804 3.471 -6.765 1.00 0.00 N ATOM 568 CA ILE A 38 -2.936 2.833 -5.798 1.00 0.00 C ATOM 569 C ILE A 38 -3.573 1.528 -5.371 1.00 0.00 C ATOM 570 O ILE A 38 -2.901 0.529 -5.139 1.00 0.00 O ATOM 571 CB ILE A 38 -2.728 3.711 -4.549 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.414 5.151 -4.954 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.613 3.144 -3.686 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.194 5.281 -5.829 1.00 0.00 C ATOM 0 H ILE A 38 -4.303 4.289 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.964 2.670 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.650 3.712 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.273 5.567 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.271 5.749 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.477 3.774 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.875 2.134 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.687 3.117 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.034 6.330 -6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.323 4.896 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.342 4.711 -6.746 1.00 0.00 H new ATOM 586 N ALA A 39 -4.894 1.551 -5.303 1.00 0.00 N ATOM 587 CA ALA A 39 -5.660 0.377 -4.928 1.00 0.00 C ATOM 588 C ALA A 39 -5.886 -0.507 -6.140 1.00 0.00 C ATOM 589 O ALA A 39 -6.055 -1.718 -6.020 1.00 0.00 O ATOM 590 CB ALA A 39 -6.989 0.784 -4.309 1.00 0.00 C ATOM 0 H ALA A 39 -5.460 2.376 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.095 -0.187 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.551 -0.109 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.807 1.387 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.563 1.366 -5.030 1.00 0.00 H new ATOM 596 N ALA A 40 -5.865 0.111 -7.312 1.00 0.00 N ATOM 597 CA ALA A 40 -6.050 -0.618 -8.555 1.00 0.00 C ATOM 598 C ALA A 40 -4.718 -1.139 -9.066 1.00 0.00 C ATOM 599 O ALA A 40 -4.668 -2.105 -9.825 1.00 0.00 O ATOM 600 CB ALA A 40 -6.713 0.267 -9.600 1.00 0.00 C ATOM 0 H ALA A 40 -5.722 1.114 -7.427 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.703 -1.469 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.843 -0.296 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.686 0.595 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.085 1.137 -9.791 1.00 0.00 H new ATOM 606 N TYR A 41 -3.636 -0.501 -8.632 1.00 0.00 N ATOM 607 CA TYR A 41 -2.301 -0.913 -9.044 1.00 0.00 C ATOM 608 C TYR A 41 -1.739 -1.939 -8.075 1.00 0.00 C ATOM 609 O TYR A 41 -0.943 -2.795 -8.455 1.00 0.00 O ATOM 610 CB TYR A 41 -1.363 0.293 -9.143 1.00 0.00 C ATOM 611 CG TYR A 41 0.059 -0.073 -9.510 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.902 -0.676 -8.583 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.554 0.174 -10.782 1.00 0.00 C ATOM 614 CE1 TYR A 41 2.199 -1.016 -8.917 1.00 0.00 C ATOM 615 CE2 TYR A 41 1.850 -0.164 -11.123 1.00 0.00 C ATOM 616 CZ TYR A 41 2.668 -0.759 -10.186 1.00 0.00 C ATOM 617 OH TYR A 41 3.960 -1.097 -10.521 1.00 0.00 O ATOM 0 H TYR A 41 -3.658 0.298 -7.999 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.377 -1.369 -10.031 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.754 0.987 -9.887 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.359 0.819 -8.188 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.538 -0.882 -7.587 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.084 0.639 -11.519 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.843 -1.482 -8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.220 0.037 -12.118 1.00 0.00 H new ATOM 0 HH TYR A 41 4.240 -1.878 -9.999 1.00 0.00 H new ATOM 627 N ILE A 42 -2.181 -1.865 -6.830 1.00 0.00 N ATOM 628 CA ILE A 42 -1.745 -2.802 -5.808 1.00 0.00 C ATOM 629 C ILE A 42 -2.630 -4.032 -5.848 1.00 0.00 C ATOM 630 O ILE A 42 -2.178 -5.157 -5.616 1.00 0.00 O ATOM 631 CB ILE A 42 -1.802 -2.170 -4.402 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.866 -0.963 -4.324 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.432 -3.196 -3.340 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.178 -0.038 -3.169 1.00 0.00 C ATOM 0 H ILE A 42 -2.844 -1.163 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.710 -3.075 -6.013 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.822 -1.833 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.162 -1.314 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.929 -0.402 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.478 -2.732 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.132 -4.031 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.421 -3.561 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.477 0.797 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.195 0.341 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.087 -0.585 -2.230 1.00 0.00 H new ATOM 646 N LYS A 43 -3.892 -3.807 -6.182 1.00 0.00 N ATOM 647 CA LYS A 43 -4.849 -4.889 -6.293 1.00 0.00 C ATOM 648 C LYS A 43 -4.593 -5.633 -7.582 1.00 0.00 C ATOM 649 O LYS A 43 -4.627 -6.861 -7.623 1.00 0.00 O ATOM 650 CB LYS A 43 -6.280 -4.346 -6.271 1.00 0.00 C ATOM 651 CG LYS A 43 -7.350 -5.416 -6.395 1.00 0.00 C ATOM 652 CD LYS A 43 -8.739 -4.798 -6.470 1.00 0.00 C ATOM 653 CE LYS A 43 -9.828 -5.858 -6.514 1.00 0.00 C ATOM 654 NZ LYS A 43 -9.919 -6.617 -5.236 1.00 0.00 N ATOM 0 H LYS A 43 -4.274 -2.882 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.733 -5.565 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.435 -3.798 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.399 -3.632 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.167 -6.016 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.295 -6.090 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.896 -4.151 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.809 -4.168 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.787 -5.384 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.628 -6.549 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.437 -7.505 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.962 -6.832 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.422 -6.045 -4.528 1.00 0.00 H new ATOM 668 N LYS A 44 -4.304 -4.874 -8.633 1.00 0.00 N ATOM 669 CA LYS A 44 -4.014 -5.465 -9.929 1.00 0.00 C ATOM 670 C LYS A 44 -2.626 -6.085 -9.918 1.00 0.00 C ATOM 671 O LYS A 44 -2.367 -7.060 -10.621 1.00 0.00 O ATOM 672 CB LYS A 44 -4.113 -4.420 -11.040 1.00 0.00 C ATOM 673 CG LYS A 44 -3.835 -4.977 -12.426 1.00 0.00 C ATOM 674 CD LYS A 44 -4.821 -6.075 -12.793 1.00 0.00 C ATOM 675 CE LYS A 44 -4.543 -6.632 -14.179 1.00 0.00 C ATOM 676 NZ LYS A 44 -4.652 -5.585 -15.232 1.00 0.00 N ATOM 0 H LYS A 44 -4.265 -3.855 -8.611 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.753 -6.242 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.111 -3.982 -11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.408 -3.614 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.893 -4.174 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.819 -5.371 -12.464 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.763 -6.878 -12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.837 -5.681 -12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.544 -7.066 -14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.246 -7.437 -14.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.675 -6.036 -16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.525 -5.039 -15.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.832 -4.948 -15.174 1.00 0.00 H new ATOM 690 N GLU A 45 -1.736 -5.518 -9.110 1.00 0.00 N ATOM 691 CA GLU A 45 -0.376 -6.032 -9.015 1.00 0.00 C ATOM 692 C GLU A 45 -0.350 -7.391 -8.331 1.00 0.00 C ATOM 693 O GLU A 45 0.440 -8.261 -8.697 1.00 0.00 O ATOM 694 CB GLU A 45 0.527 -5.050 -8.262 1.00 0.00 C ATOM 695 CG GLU A 45 1.939 -5.567 -8.032 1.00 0.00 C ATOM 696 CD GLU A 45 2.685 -5.832 -9.327 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.106 -5.595 -10.408 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.851 -6.275 -9.258 1.00 0.00 O ATOM 0 H GLU A 45 -1.930 -4.711 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 45 0.003 -6.149 -10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.579 -4.116 -8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.073 -4.819 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.495 -4.841 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.894 -6.487 -7.449 1.00 0.00 H new ATOM 705 N PHE A 46 -1.204 -7.572 -7.329 1.00 0.00 N ATOM 706 CA PHE A 46 -1.243 -8.836 -6.604 1.00 0.00 C ATOM 707 C PHE A 46 -2.223 -9.836 -7.217 1.00 0.00 C ATOM 708 O PHE A 46 -1.931 -11.029 -7.279 1.00 0.00 O ATOM 709 CB PHE A 46 -1.577 -8.606 -5.129 1.00 0.00 C ATOM 710 CG PHE A 46 -0.498 -7.886 -4.372 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.794 -8.388 -4.342 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.773 -6.716 -3.683 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.790 -7.735 -3.641 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.219 -6.059 -2.981 1.00 0.00 C ATOM 715 CZ PHE A 46 1.502 -6.570 -2.959 1.00 0.00 C ATOM 0 H PHE A 46 -1.869 -6.870 -7.004 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.247 -9.271 -6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.502 -8.033 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.762 -9.569 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.025 -9.300 -4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.775 -6.313 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.793 -8.136 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.009 -5.147 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.278 -6.059 -2.409 1.00 0.00 H new ATOM 725 N ASP A 47 -3.386 -9.369 -7.657 1.00 0.00 N ATOM 726 CA ASP A 47 -4.375 -10.275 -8.237 1.00 0.00 C ATOM 727 C ASP A 47 -3.920 -10.797 -9.599 1.00 0.00 C ATOM 728 O ASP A 47 -4.276 -11.906 -9.995 1.00 0.00 O ATOM 729 CB ASP A 47 -5.753 -9.607 -8.361 1.00 0.00 C ATOM 730 CG ASP A 47 -5.810 -8.523 -9.424 1.00 0.00 C ATOM 731 OD1 ASP A 47 -5.394 -8.789 -10.571 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.302 -7.417 -9.117 1.00 0.00 O ATOM 0 H ASP A 47 -3.666 -8.389 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.467 -11.120 -7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.498 -10.369 -8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.026 -9.175 -7.398 1.00 0.00 H new ATOM 737 N LYS A 48 -3.143 -9.990 -10.317 1.00 0.00 N ATOM 738 CA LYS A 48 -2.660 -10.382 -11.638 1.00 0.00 C ATOM 739 C LYS A 48 -1.321 -11.113 -11.557 1.00 0.00 C ATOM 740 O LYS A 48 -0.857 -11.675 -12.550 1.00 0.00 O ATOM 741 CB LYS A 48 -2.523 -9.155 -12.540 1.00 0.00 C ATOM 742 CG LYS A 48 -2.118 -9.490 -13.967 1.00 0.00 C ATOM 743 CD LYS A 48 -3.123 -10.420 -14.626 1.00 0.00 C ATOM 744 CE LYS A 48 -2.713 -10.765 -16.049 1.00 0.00 C ATOM 745 NZ LYS A 48 -2.613 -9.553 -16.908 1.00 0.00 N ATOM 0 H LYS A 48 -2.836 -9.067 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.394 -11.067 -12.063 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.472 -8.619 -12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.783 -8.479 -12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.035 -8.572 -14.548 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.133 -9.957 -13.967 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.212 -11.335 -14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.106 -9.949 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.753 -11.280 -16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.439 -11.455 -16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.567 -9.838 -17.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.448 -8.951 -16.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.754 -9.022 -16.660 1.00 0.00 H new ATOM 759 N LYS A 49 -0.696 -11.105 -10.383 1.00 0.00 N ATOM 760 CA LYS A 49 0.590 -11.771 -10.207 1.00 0.00 C ATOM 761 C LYS A 49 0.833 -12.137 -8.745 1.00 0.00 C ATOM 762 O LYS A 49 1.831 -11.729 -8.150 1.00 0.00 O ATOM 763 CB LYS A 49 1.725 -10.878 -10.715 1.00 0.00 C ATOM 764 CG LYS A 49 1.621 -10.537 -12.193 1.00 0.00 C ATOM 765 CD LYS A 49 2.804 -9.703 -12.659 1.00 0.00 C ATOM 766 CE LYS A 49 2.894 -8.389 -11.900 1.00 0.00 C ATOM 767 NZ LYS A 49 4.047 -7.563 -12.356 1.00 0.00 N ATOM 0 H LYS A 49 -1.056 -10.648 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 49 0.568 -12.692 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.734 -9.953 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.677 -11.377 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.571 -11.456 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.695 -9.992 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.726 -10.268 -12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.711 -9.502 -13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.969 -7.828 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.992 -8.592 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.074 -6.675 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.932 -8.088 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.941 -7.348 -13.368 1.00 0.00 H new ATOM 781 N TYR A 50 -0.077 -12.920 -8.176 1.00 0.00 N ATOM 782 CA TYR A 50 0.051 -13.350 -6.787 1.00 0.00 C ATOM 783 C TYR A 50 -1.108 -14.265 -6.394 1.00 0.00 C ATOM 784 O TYR A 50 -0.923 -15.186 -5.603 1.00 0.00 O ATOM 785 CB TYR A 50 0.111 -12.141 -5.851 1.00 0.00 C ATOM 786 CG TYR A 50 0.834 -12.417 -4.553 1.00 0.00 C ATOM 787 CD1 TYR A 50 2.149 -12.868 -4.554 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.208 -12.222 -3.330 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.818 -13.116 -3.372 1.00 0.00 C ATOM 790 CE2 TYR A 50 0.872 -12.469 -2.142 1.00 0.00 C ATOM 791 CZ TYR A 50 2.176 -12.916 -2.169 1.00 0.00 C ATOM 792 OH TYR A 50 2.843 -13.162 -0.990 1.00 0.00 O ATOM 0 H TYR A 50 -0.909 -13.269 -8.652 1.00 0.00 H new ATOM 0 HA TYR A 50 0.981 -13.910 -6.692 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.607 -11.318 -6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.904 -11.813 -5.629 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.655 -13.027 -5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.813 -11.872 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.840 -13.465 -3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.371 -12.312 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 50 3.801 -13.000 -1.116 1.00 0.00 H new ATOM 802 N ASN A 51 -2.293 -13.992 -6.969 1.00 0.00 N ATOM 803 CA ASN A 51 -3.527 -14.766 -6.725 1.00 0.00 C ATOM 804 C ASN A 51 -4.690 -13.840 -6.372 1.00 0.00 C ATOM 805 O ASN A 51 -4.555 -12.956 -5.527 1.00 0.00 O ATOM 806 CB ASN A 51 -3.367 -15.824 -5.620 1.00 0.00 C ATOM 807 CG ASN A 51 -2.554 -17.042 -6.048 1.00 0.00 C ATOM 808 OD1 ASN A 51 -1.990 -17.013 -7.253 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -2.425 -18.003 -5.287 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.424 -13.220 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.739 -15.291 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.888 -15.364 -4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.355 -16.153 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.872 -17.991 -4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.872 -18.810 -5.574 1.00 0.00 H new ATOM 816 N PRO A 52 -5.855 -14.033 -7.021 1.00 0.00 N ATOM 817 CA PRO A 52 -7.042 -13.214 -6.773 1.00 0.00 C ATOM 818 C PRO A 52 -7.804 -13.659 -5.519 1.00 0.00 C ATOM 819 O PRO A 52 -7.947 -14.856 -5.273 1.00 0.00 O ATOM 820 CB PRO A 52 -7.886 -13.455 -8.022 1.00 0.00 C ATOM 821 CG PRO A 52 -7.544 -14.842 -8.443 1.00 0.00 C ATOM 822 CD PRO A 52 -6.106 -15.065 -8.048 1.00 0.00 C ATOM 0 HA PRO A 52 -6.794 -12.167 -6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.950 -13.357 -7.807 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.651 -12.734 -8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.197 -15.567 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.675 -14.965 -9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.952 -16.069 -7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.436 -14.952 -8.900 1.00 0.00 H new ATOM 830 N THR A 53 -8.305 -12.700 -4.729 1.00 0.00 N ATOM 831 CA THR A 53 -8.140 -11.281 -5.012 1.00 0.00 C ATOM 832 C THR A 53 -7.839 -10.528 -3.734 1.00 0.00 C ATOM 833 O THR A 53 -8.202 -10.957 -2.644 1.00 0.00 O ATOM 834 CB THR A 53 -9.388 -10.702 -5.671 1.00 0.00 C ATOM 835 OG1 THR A 53 -9.876 -11.569 -6.680 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.139 -9.353 -6.310 1.00 0.00 C ATOM 0 H THR A 53 -8.834 -12.893 -3.879 1.00 0.00 H new ATOM 0 HA THR A 53 -7.305 -11.170 -5.704 1.00 0.00 H new ATOM 0 HB THR A 53 -10.117 -10.588 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.677 -11.178 -7.088 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.061 -8.989 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.805 -8.647 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.371 -9.450 -7.078 1.00 0.00 H new ATOM 844 N TRP A 54 -7.153 -9.416 -3.877 1.00 0.00 N ATOM 845 CA TRP A 54 -6.775 -8.617 -2.720 1.00 0.00 C ATOM 846 C TRP A 54 -7.629 -7.371 -2.579 1.00 0.00 C ATOM 847 O TRP A 54 -7.961 -6.707 -3.560 1.00 0.00 O ATOM 848 CB TRP A 54 -5.300 -8.253 -2.805 1.00 0.00 C ATOM 849 CG TRP A 54 -4.441 -9.464 -2.944 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.003 -10.034 -4.103 1.00 0.00 C ATOM 851 CD2 TRP A 54 -3.972 -10.293 -1.882 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.251 -11.149 -3.823 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.221 -11.331 -2.462 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.105 -10.243 -0.494 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.604 -12.317 -1.695 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.495 -11.223 0.267 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.751 -12.247 -0.335 1.00 0.00 C ATOM 0 H TRP A 54 -6.845 -9.042 -4.774 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.948 -9.219 -1.828 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.137 -7.591 -3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.009 -7.701 -1.911 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.216 -9.663 -5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.791 -11.744 -4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.673 -9.454 -0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.031 -13.108 -2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.593 -11.199 1.342 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.284 -12.997 0.287 1.00 0.00 H new ATOM 868 N HIS A 55 -7.989 -7.067 -1.338 1.00 0.00 N ATOM 869 CA HIS A 55 -8.820 -5.902 -1.047 1.00 0.00 C ATOM 870 C HIS A 55 -7.983 -4.721 -0.558 1.00 0.00 C ATOM 871 O HIS A 55 -8.285 -4.119 0.473 1.00 0.00 O ATOM 872 CB HIS A 55 -9.881 -6.261 -0.011 1.00 0.00 C ATOM 873 CG HIS A 55 -10.819 -7.332 -0.474 1.00 0.00 C ATOM 874 ND1 HIS A 55 -12.167 -7.330 -0.612 1.00 0.00 N flip ATOM 875 CD2 HIS A 55 -10.397 -8.583 -0.867 1.00 0.00 C flip ATOM 876 CE1 HIS A 55 -12.528 -8.569 -1.085 1.00 0.00 C flip ATOM 877 NE2 HIS A 55 -11.442 -9.306 -1.230 1.00 0.00 N flip ATOM 0 H HIS A 55 -7.720 -7.609 -0.517 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.308 -5.601 -1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.389 -6.589 0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.454 -5.368 0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.371 -8.921 -0.877 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -13.537 -8.888 -1.303 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.414 -10.269 -1.565 1.00 0.00 H new ATOM 886 N CYS A 56 -6.939 -4.388 -1.308 1.00 0.00 N ATOM 887 CA CYS A 56 -6.067 -3.272 -0.957 1.00 0.00 C ATOM 888 C CYS A 56 -6.808 -1.944 -1.088 1.00 0.00 C ATOM 889 O CYS A 56 -6.862 -1.357 -2.168 1.00 0.00 O ATOM 890 CB CYS A 56 -4.827 -3.266 -1.850 1.00 0.00 C ATOM 891 SG CYS A 56 -3.672 -1.918 -1.503 1.00 0.00 S ATOM 0 H CYS A 56 -6.675 -4.875 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.758 -3.396 0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.305 -4.216 -1.735 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.143 -3.200 -2.891 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.300 -0.781 -1.566 1.00 0.00 H new ATOM 897 N ILE A 57 -7.376 -1.475 0.019 1.00 0.00 N ATOM 898 CA ILE A 57 -8.110 -0.216 0.029 1.00 0.00 C ATOM 899 C ILE A 57 -7.305 0.875 0.718 1.00 0.00 C ATOM 900 O ILE A 57 -6.389 0.589 1.482 1.00 0.00 O ATOM 901 CB ILE A 57 -9.467 -0.358 0.740 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.255 -1.519 0.136 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.255 0.942 0.646 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.674 -1.619 0.649 1.00 0.00 C ATOM 0 H ILE A 57 -7.341 -1.949 0.921 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.283 0.058 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.294 -0.571 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.276 -1.408 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.733 -2.452 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.212 0.825 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.690 1.745 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.428 1.188 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.173 -2.465 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.661 -1.762 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.212 -0.702 0.411 1.00 0.00 H new ATOM 916 N VAL A 58 -7.642 2.126 0.440 1.00 0.00 N ATOM 917 CA VAL A 58 -6.932 3.247 1.034 1.00 0.00 C ATOM 918 C VAL A 58 -7.890 4.216 1.731 1.00 0.00 C ATOM 919 O VAL A 58 -9.061 4.310 1.367 1.00 0.00 O ATOM 920 CB VAL A 58 -6.136 4.005 -0.042 1.00 0.00 C ATOM 921 CG1 VAL A 58 -7.071 4.729 -1.001 1.00 0.00 C ATOM 922 CG2 VAL A 58 -5.150 4.971 0.596 1.00 0.00 C ATOM 0 H VAL A 58 -8.400 2.389 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.249 2.841 1.781 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.566 3.276 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.484 5.257 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.721 4.005 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.679 5.444 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.598 5.496 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.692 5.694 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.452 4.417 1.224 1.00 0.00 H new ATOM 932 N GLY A 59 -7.382 4.941 2.729 1.00 0.00 N ATOM 933 CA GLY A 59 -8.212 5.895 3.446 1.00 0.00 C ATOM 934 C GLY A 59 -7.396 6.882 4.261 1.00 0.00 C ATOM 935 O GLY A 59 -6.169 6.810 4.279 1.00 0.00 O ATOM 0 H GLY A 59 -6.416 4.884 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.830 6.441 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.890 5.356 4.108 1.00 0.00 H new ATOM 939 N ARG A 60 -8.071 7.813 4.929 1.00 0.00 N ATOM 940 CA ARG A 60 -7.393 8.816 5.733 1.00 0.00 C ATOM 941 C ARG A 60 -7.487 8.494 7.225 1.00 0.00 C ATOM 942 O ARG A 60 -7.981 9.298 8.016 1.00 0.00 O ATOM 943 CB ARG A 60 -7.990 10.195 5.451 1.00 0.00 C ATOM 944 CG ARG A 60 -7.268 11.322 6.159 1.00 0.00 C ATOM 945 CD ARG A 60 -7.881 12.675 5.833 1.00 0.00 C ATOM 946 NE ARG A 60 -7.181 13.771 6.501 1.00 0.00 N ATOM 947 CZ ARG A 60 -7.163 13.948 7.820 1.00 0.00 C ATOM 948 NH1 ARG A 60 -7.843 13.132 8.618 1.00 0.00 N ATOM 949 NH2 ARG A 60 -6.473 14.952 8.344 1.00 0.00 N ATOM 0 H ARG A 60 -9.088 7.891 4.927 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.338 8.815 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.969 10.379 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.037 10.198 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.303 11.157 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.217 11.319 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.856 12.833 4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.929 12.679 6.132 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.676 14.441 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.384 12.364 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.824 13.274 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.957 15.588 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.459 15.088 9.355 1.00 0.00 H new ATOM 963 N SER A 61 -7.001 7.313 7.602 1.00 0.00 N ATOM 964 CA SER A 61 -7.016 6.870 8.998 1.00 0.00 C ATOM 965 C SER A 61 -8.329 7.229 9.684 1.00 0.00 C ATOM 966 O SER A 61 -8.342 7.675 10.832 1.00 0.00 O ATOM 967 CB SER A 61 -5.844 7.489 9.761 1.00 0.00 C ATOM 968 OG SER A 61 -5.834 7.066 11.113 1.00 0.00 O ATOM 0 H SER A 61 -6.589 6.640 6.956 1.00 0.00 H new ATOM 0 HA SER A 61 -6.918 5.784 9.003 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.906 7.208 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.911 8.576 9.718 1.00 0.00 H new ATOM 0 HG SER A 61 -6.734 7.154 11.490 1.00 0.00 H new ATOM 974 N GLY A 62 -9.430 7.036 8.971 1.00 0.00 N ATOM 975 CA GLY A 62 -10.734 7.351 9.523 1.00 0.00 C ATOM 976 C GLY A 62 -11.185 6.350 10.570 1.00 0.00 C ATOM 977 O GLY A 62 -11.232 6.662 11.759 1.00 0.00 O ATOM 0 H GLY A 62 -9.444 6.667 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.705 8.346 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.467 7.382 8.717 1.00 0.00 H new ATOM 981 N ASN A 63 -11.521 5.147 10.120 1.00 0.00 N ATOM 982 CA ASN A 63 -11.980 4.082 11.011 1.00 0.00 C ATOM 983 C ASN A 63 -12.356 2.836 10.215 1.00 0.00 C ATOM 984 O ASN A 63 -13.491 2.362 10.274 1.00 0.00 O ATOM 985 CB ASN A 63 -13.175 4.552 11.855 1.00 0.00 C ATOM 986 CG ASN A 63 -14.380 5.012 11.038 1.00 0.00 C ATOM 987 OD1 ASN A 63 -14.284 4.985 9.707 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -15.402 5.397 11.607 1.00 0.00 N flip ATOM 0 H ASN A 63 -11.484 4.881 9.136 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.159 3.831 11.683 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.485 3.738 12.510 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.852 5.372 12.496 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.446 5.406 12.626 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.205 5.707 11.059 1.00 0.00 H new ATOM 995 N PHE A 64 -11.393 2.326 9.460 1.00 0.00 N ATOM 996 CA PHE A 64 -11.604 1.148 8.630 1.00 0.00 C ATOM 997 C PHE A 64 -10.567 0.064 8.915 1.00 0.00 C ATOM 998 O PHE A 64 -10.557 -0.978 8.260 1.00 0.00 O ATOM 999 CB PHE A 64 -11.556 1.552 7.155 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.426 2.493 6.839 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.108 2.084 6.951 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.686 3.795 6.446 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.072 2.952 6.677 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.655 4.668 6.168 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.345 4.248 6.283 1.00 0.00 C ATOM 0 H PHE A 64 -10.451 2.713 9.405 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.583 0.732 8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.458 0.656 6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.500 2.023 6.882 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.888 1.072 7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.708 4.131 6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.049 2.619 6.770 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.873 5.680 5.860 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.536 4.930 6.066 1.00 0.00 H new ATOM 1015 N GLY A 65 -9.701 0.306 9.894 1.00 0.00 N ATOM 1016 CA GLY A 65 -8.684 -0.670 10.236 1.00 0.00 C ATOM 1017 C GLY A 65 -9.086 -1.547 11.406 1.00 0.00 C ATOM 1018 O GLY A 65 -8.231 -2.133 12.069 1.00 0.00 O ATOM 0 H GLY A 65 -9.686 1.158 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.483 -1.298 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.756 -0.152 10.477 1.00 0.00 H new ATOM 1022 N SER A 66 -10.388 -1.639 11.661 1.00 0.00 N ATOM 1023 CA SER A 66 -10.891 -2.455 12.759 1.00 0.00 C ATOM 1024 C SER A 66 -12.331 -2.888 12.512 1.00 0.00 C ATOM 1025 O SER A 66 -13.100 -3.083 13.454 1.00 0.00 O ATOM 1026 CB SER A 66 -10.795 -1.687 14.079 1.00 0.00 C ATOM 1027 OG SER A 66 -11.281 -2.466 15.159 1.00 0.00 O ATOM 0 H SER A 66 -11.111 -1.160 11.124 1.00 0.00 H new ATOM 0 HA SER A 66 -10.272 -3.350 12.820 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.758 -1.407 14.266 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.367 -0.762 14.008 1.00 0.00 H new ATOM 0 HG SER A 66 -12.198 -2.754 14.968 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.693 -3.036 11.242 1.00 0.00 N ATOM 1034 CA TYR A 67 -14.049 -3.450 10.884 1.00 0.00 C ATOM 1035 C TYR A 67 -14.125 -3.981 9.452 1.00 0.00 C ATOM 1036 O TYR A 67 -15.211 -4.089 8.882 1.00 0.00 O ATOM 1037 CB TYR A 67 -15.017 -2.276 11.062 1.00 0.00 C ATOM 1038 CG TYR A 67 -16.456 -2.617 10.753 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -17.125 -3.607 11.462 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -17.149 -1.945 9.754 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -18.442 -3.921 11.182 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -18.467 -2.253 9.468 1.00 0.00 C ATOM 1043 CZ TYR A 67 -19.108 -3.240 10.185 1.00 0.00 C ATOM 1044 OH TYR A 67 -20.419 -3.548 9.904 1.00 0.00 O ATOM 0 H TYR A 67 -12.073 -2.877 10.447 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.334 -4.264 11.551 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.952 -1.916 12.089 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -14.701 -1.456 10.416 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -16.607 -4.141 12.245 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.651 -1.169 9.191 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -18.946 -4.695 11.741 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.991 -1.723 8.687 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.741 -2.976 9.176 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.978 -4.322 8.874 1.00 0.00 N ATOM 1055 CA VAL A 68 -12.942 -4.849 7.517 1.00 0.00 C ATOM 1056 C VAL A 68 -12.558 -6.331 7.504 1.00 0.00 C ATOM 1057 O VAL A 68 -12.504 -6.957 6.447 1.00 0.00 O ATOM 1058 CB VAL A 68 -11.948 -4.065 6.644 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -12.038 -4.515 5.194 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -12.195 -2.570 6.763 1.00 0.00 C ATOM 0 H VAL A 68 -12.065 -4.243 9.323 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.946 -4.738 7.108 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.939 -4.272 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.327 -3.949 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.804 -5.578 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.048 -4.342 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.482 -2.033 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.209 -2.342 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.072 -2.262 7.801 1.00 0.00 H new ATOM 1070 N THR A 69 -12.296 -6.885 8.685 1.00 0.00 N ATOM 1071 CA THR A 69 -11.921 -8.289 8.809 1.00 0.00 C ATOM 1072 C THR A 69 -13.035 -9.191 8.316 1.00 0.00 C ATOM 1073 O THR A 69 -12.895 -9.876 7.304 1.00 0.00 O ATOM 1074 CB THR A 69 -11.586 -8.618 10.266 1.00 0.00 C ATOM 1075 OG1 THR A 69 -10.561 -7.767 10.747 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.125 -10.045 10.467 1.00 0.00 C ATOM 0 H THR A 69 -12.337 -6.381 9.571 1.00 0.00 H new ATOM 0 HA THR A 69 -11.040 -8.463 8.192 1.00 0.00 H new ATOM 0 HB THR A 69 -12.515 -8.472 10.816 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.361 -7.991 11.680 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.904 -10.211 11.521 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.911 -10.730 10.149 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.227 -10.224 9.876 1.00 0.00 H new ATOM 1084 N HIS A 70 -14.135 -9.200 9.046 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.276 -10.033 8.690 1.00 0.00 C ATOM 1086 C HIS A 70 -14.869 -11.505 8.594 1.00 0.00 C ATOM 1087 O HIS A 70 -15.618 -12.323 8.060 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.878 -9.573 7.362 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.356 -8.154 7.382 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -16.935 -7.540 6.292 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -16.341 -7.227 8.370 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -17.253 -6.297 6.607 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -16.903 -6.083 7.862 1.00 0.00 N ATOM 0 H HIS A 70 -14.266 -8.641 9.889 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.025 -9.931 9.475 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.132 -9.685 6.576 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.712 -10.225 7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -15.958 -7.363 9.371 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -17.720 -5.578 5.950 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -17.030 -5.209 8.372 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.677 -11.831 9.113 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.149 -13.201 9.095 1.00 0.00 C ATOM 1104 C GLU A 71 -12.414 -13.487 7.789 1.00 0.00 C ATOM 1105 O GLU A 71 -12.499 -14.585 7.239 1.00 0.00 O ATOM 1106 CB GLU A 71 -14.261 -14.236 9.310 1.00 0.00 C ATOM 1107 CG GLU A 71 -15.089 -13.989 10.560 1.00 0.00 C ATOM 1108 CD GLU A 71 -14.253 -14.015 11.826 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -13.630 -15.061 12.104 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -14.222 -12.989 12.538 1.00 0.00 O ATOM 0 H GLU A 71 -13.054 -11.155 9.555 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.442 -13.284 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.920 -14.235 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.815 -15.229 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.587 -13.023 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.871 -14.745 10.629 1.00 0.00 H new ATOM 1117 N THR A 72 -11.688 -12.486 7.305 1.00 0.00 N ATOM 1118 CA THR A 72 -10.923 -12.608 6.072 1.00 0.00 C ATOM 1119 C THR A 72 -9.916 -13.757 6.158 1.00 0.00 C ATOM 1120 O THR A 72 -9.585 -14.374 5.147 1.00 0.00 O ATOM 1121 CB THR A 72 -10.204 -11.284 5.793 1.00 0.00 C ATOM 1122 OG1 THR A 72 -11.137 -10.233 5.635 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.335 -11.308 4.559 1.00 0.00 C ATOM 0 H THR A 72 -11.614 -11.573 7.754 1.00 0.00 H new ATOM 0 HA THR A 72 -11.607 -12.832 5.253 1.00 0.00 H new ATOM 0 HB THR A 72 -9.562 -11.125 6.660 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.514 -9.996 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.860 -10.335 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.568 -12.074 4.669 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.949 -11.532 3.686 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.434 -14.027 7.378 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.455 -15.094 7.644 1.00 0.00 C ATOM 1133 C LYS A 73 -7.028 -14.567 7.514 1.00 0.00 C ATOM 1134 O LYS A 73 -6.123 -15.009 8.219 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.660 -16.298 6.715 1.00 0.00 C ATOM 1136 CG LYS A 73 -10.069 -16.873 6.761 1.00 0.00 C ATOM 1137 CD LYS A 73 -10.465 -17.319 8.164 1.00 0.00 C ATOM 1138 CE LYS A 73 -9.706 -18.563 8.610 1.00 0.00 C ATOM 1139 NZ LYS A 73 -8.263 -18.293 8.857 1.00 0.00 N ATOM 0 H LYS A 73 -9.712 -13.511 8.213 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.615 -15.430 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.432 -15.999 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.949 -17.079 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.777 -16.124 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.136 -17.721 6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.276 -16.508 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.536 -17.520 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.160 -18.955 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.802 -19.336 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.952 -18.813 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.706 -18.603 8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.121 -17.274 9.006 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.847 -13.610 6.615 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.546 -12.991 6.383 1.00 0.00 C ATOM 1155 C HIS A 74 -5.751 -11.529 6.019 1.00 0.00 C ATOM 1156 O HIS A 74 -6.757 -11.183 5.403 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.790 -13.709 5.262 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.528 -15.157 5.540 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -5.529 -16.099 5.643 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -3.366 -15.824 5.739 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -4.996 -17.281 5.894 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -3.685 -17.141 5.958 1.00 0.00 N ATOM 0 H HIS A 74 -7.594 -13.240 6.027 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.950 -13.067 7.292 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.362 -13.624 4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.839 -13.203 5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.373 -15.399 5.728 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.540 -18.205 6.025 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.017 -17.890 6.141 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.817 -10.663 6.402 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.961 -9.242 6.096 1.00 0.00 C ATOM 1173 C PHE A 75 -3.822 -8.410 6.661 1.00 0.00 C ATOM 1174 O PHE A 75 -3.134 -8.818 7.595 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.288 -8.722 6.661 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.501 -9.066 8.111 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.637 -8.597 9.090 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.565 -9.866 8.493 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.834 -8.918 10.420 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.767 -10.190 9.821 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.901 -9.715 10.786 1.00 0.00 C ATOM 0 H PHE A 75 -3.970 -10.911 6.913 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.941 -9.144 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.324 -7.639 6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.109 -9.133 6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.801 -7.974 8.810 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.246 -10.241 7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.154 -8.546 11.172 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.602 -10.814 10.104 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.058 -9.966 11.825 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.658 -7.216 6.101 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.636 -6.288 6.558 1.00 0.00 C ATOM 1193 C ILE A 76 -3.166 -4.869 6.566 1.00 0.00 C ATOM 1194 O ILE A 76 -4.001 -4.487 5.743 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.345 -6.358 5.722 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.428 -5.166 6.021 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.662 -6.438 4.237 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.884 -5.212 5.268 1.00 0.00 C ATOM 0 H ILE A 76 -4.224 -6.869 5.326 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.381 -6.590 7.574 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.815 -7.268 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.951 -4.243 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.223 -5.134 7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.733 -6.486 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.255 -7.331 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.225 -5.554 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.483 -4.339 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.427 -6.118 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.688 -5.213 4.196 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.672 -4.103 7.516 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.076 -2.711 7.682 1.00 0.00 C ATOM 1212 C TYR A 77 -1.874 -1.841 8.012 1.00 0.00 C ATOM 1213 O TYR A 77 -1.250 -2.004 9.060 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.113 -2.579 8.806 1.00 0.00 C ATOM 1215 CG TYR A 77 -5.392 -3.358 8.580 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -5.383 -4.745 8.483 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -6.613 -2.703 8.468 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -6.552 -5.453 8.280 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -7.785 -3.406 8.268 1.00 0.00 C ATOM 1220 CZ TYR A 77 -7.749 -4.780 8.174 1.00 0.00 C ATOM 1221 OH TYR A 77 -8.914 -5.483 7.973 1.00 0.00 O ATOM 0 H TYR A 77 -1.981 -4.421 8.196 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.517 -2.378 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.661 -2.912 9.740 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.362 -1.525 8.930 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.447 -5.277 8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.646 -1.626 8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.527 -6.530 8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.725 -2.881 8.186 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.588 -5.193 8.623 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.561 -0.908 7.126 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.434 -0.009 7.358 1.00 0.00 C ATOM 1233 C PHE A 78 -0.755 1.420 6.933 1.00 0.00 C ATOM 1234 O PHE A 78 -1.632 1.657 6.103 1.00 0.00 O ATOM 1235 CB PHE A 78 0.845 -0.522 6.675 1.00 0.00 C ATOM 1236 CG PHE A 78 0.736 -0.804 5.198 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -0.397 -0.473 4.471 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.794 -1.408 4.535 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -0.470 -0.739 3.117 1.00 0.00 C ATOM 1240 CE2 PHE A 78 1.725 -1.677 3.182 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.591 -1.342 2.473 1.00 0.00 C ATOM 0 H PHE A 78 -2.061 -0.752 6.251 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.250 0.006 8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.635 0.214 6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.160 -1.437 7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.232 -0.002 4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.685 -1.672 5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.358 -0.475 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.557 -2.149 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.533 -1.551 1.415 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.055 2.374 7.539 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.280 3.785 7.253 1.00 0.00 C ATOM 1253 C TYR A 79 0.937 4.424 6.594 1.00 0.00 C ATOM 1254 O TYR A 79 2.048 3.894 6.653 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.613 4.536 8.545 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.817 3.989 9.282 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -1.827 2.688 9.772 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -2.942 4.775 9.490 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -2.926 2.188 10.445 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -4.044 4.282 10.162 1.00 0.00 C ATOM 1261 CZ TYR A 79 -4.030 2.989 10.638 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.125 2.496 11.310 1.00 0.00 O ATOM 0 H TYR A 79 0.673 2.195 8.231 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.119 3.852 6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.252 4.501 9.207 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.791 5.585 8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.962 2.058 9.624 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.956 5.790 9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.919 1.174 10.818 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.912 4.907 10.313 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.817 3.189 11.361 1.00 0.00 H new ATOM 1272 N LEU A 80 0.714 5.581 5.985 1.00 0.00 N ATOM 1273 CA LEU A 80 1.767 6.331 5.324 1.00 0.00 C ATOM 1274 C LEU A 80 1.531 7.824 5.512 1.00 0.00 C ATOM 1275 O LEU A 80 0.843 8.466 4.717 1.00 0.00 O ATOM 1276 CB LEU A 80 1.846 5.977 3.832 1.00 0.00 C ATOM 1277 CG LEU A 80 0.534 6.086 3.052 1.00 0.00 C ATOM 1278 CD1 LEU A 80 0.794 5.963 1.559 1.00 0.00 C ATOM 1279 CD2 LEU A 80 -0.447 5.014 3.504 1.00 0.00 C ATOM 0 H LEU A 80 -0.204 6.024 5.937 1.00 0.00 H new ATOM 0 HA LEU A 80 2.722 6.063 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.582 6.629 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.219 4.957 3.739 1.00 0.00 H new ATOM 0 HG LEU A 80 0.096 7.064 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.149 6.042 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.464 6.761 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.253 4.997 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.374 5.107 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.014 4.029 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.656 5.137 4.567 1.00 0.00 H new ATOM 1291 N GLY A 81 2.088 8.359 6.591 1.00 0.00 N ATOM 1292 CA GLY A 81 1.921 9.768 6.894 1.00 0.00 C ATOM 1293 C GLY A 81 0.554 10.061 7.476 1.00 0.00 C ATOM 1294 O GLY A 81 0.393 10.140 8.694 1.00 0.00 O ATOM 0 H GLY A 81 2.654 7.841 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.691 10.082 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.062 10.354 5.986 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.435 10.208 6.603 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.800 10.474 7.033 1.00 0.00 C ATOM 1300 C GLN A 82 -2.785 9.513 6.373 1.00 0.00 C ATOM 1301 O GLN A 82 -3.978 9.534 6.680 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.206 11.917 6.721 1.00 0.00 C ATOM 1303 CG GLN A 82 -2.090 12.295 5.253 1.00 0.00 C ATOM 1304 CD GLN A 82 -0.653 12.340 4.767 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -0.339 11.519 3.771 1.00 0.00 O flip ATOM 1306 NE2 GLN A 82 0.164 13.103 5.281 1.00 0.00 N flip ATOM 0 H GLN A 82 -0.316 10.147 5.592 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.831 10.323 8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.236 12.070 7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.584 12.592 7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.649 11.577 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.552 13.270 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.121 13.717 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.126 13.122 4.944 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.290 8.667 5.472 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.147 7.709 4.792 1.00 0.00 C ATOM 1317 C VAL A 83 -3.031 6.338 5.444 1.00 0.00 C ATOM 1318 O VAL A 83 -2.053 6.048 6.132 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.793 7.587 3.295 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.879 6.837 2.539 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.553 8.959 2.684 1.00 0.00 C ATOM 0 H VAL A 83 -1.308 8.628 5.200 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.170 8.076 4.877 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.870 7.014 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.606 6.765 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.987 5.836 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.824 7.373 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.305 8.849 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.454 9.564 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.728 9.448 3.201 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.031 5.500 5.222 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.042 4.159 5.781 1.00 0.00 C ATOM 1333 C ALA A 84 -4.623 3.176 4.777 1.00 0.00 C ATOM 1334 O ALA A 84 -5.791 3.278 4.402 1.00 0.00 O ATOM 1335 CB ALA A 84 -4.836 4.134 7.078 1.00 0.00 C ATOM 0 H ALA A 84 -4.849 5.727 4.656 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.017 3.862 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.836 3.123 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.380 4.815 7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.862 4.446 6.883 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.807 2.223 4.341 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.256 1.232 3.379 1.00 0.00 C ATOM 1343 C ILE A 85 -4.432 -0.124 4.029 1.00 0.00 C ATOM 1344 O ILE A 85 -3.734 -0.472 4.983 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.300 1.124 2.169 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.562 2.280 1.210 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.464 -0.210 1.444 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.668 2.271 -0.012 1.00 0.00 C ATOM 0 H ILE A 85 -2.837 2.118 4.638 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.224 1.570 3.010 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.275 1.176 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.603 2.245 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.425 3.221 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.777 -0.252 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.244 -1.027 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.488 -0.305 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.912 3.122 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.626 2.338 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.822 1.347 -0.569 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.382 -0.878 3.509 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.678 -2.200 4.033 1.00 0.00 C ATOM 1362 C LEU A 86 -5.690 -3.233 2.914 1.00 0.00 C ATOM 1363 O LEU A 86 -6.609 -3.260 2.096 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.041 -2.196 4.726 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.346 -0.957 5.570 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -7.532 0.269 4.683 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.581 -1.191 6.425 1.00 0.00 C ATOM 0 H LEU A 86 -5.965 -0.597 2.721 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.901 -2.462 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.816 -2.297 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.106 -3.076 5.366 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.498 -0.773 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.748 1.138 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.620 0.448 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.361 0.099 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.786 -0.301 7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.435 -1.401 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.409 -2.039 7.088 1.00 0.00 H new ATOM 1379 N LEU A 87 -4.677 -4.086 2.886 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.585 -5.124 1.866 1.00 0.00 C ATOM 1381 C LEU A 87 -4.839 -6.491 2.495 1.00 0.00 C ATOM 1382 O LEU A 87 -4.236 -6.832 3.511 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.205 -5.080 1.199 1.00 0.00 C ATOM 1384 CG LEU A 87 -2.991 -6.065 0.045 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -1.730 -5.708 -0.731 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -2.901 -7.492 0.565 1.00 0.00 C ATOM 0 H LEU A 87 -3.908 -4.081 3.556 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.342 -4.949 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.034 -4.070 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.448 -5.271 1.960 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.847 -5.995 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.592 -6.417 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.826 -4.701 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.869 -5.750 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.749 -8.175 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.064 -7.575 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.826 -7.750 1.081 1.00 0.00 H new ATOM 1398 N PHE A 88 -5.746 -7.265 1.905 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.068 -8.581 2.444 1.00 0.00 C ATOM 1400 C PHE A 88 -6.797 -9.451 1.425 1.00 0.00 C ATOM 1401 O PHE A 88 -7.163 -8.994 0.342 1.00 0.00 O ATOM 1402 CB PHE A 88 -6.920 -8.424 3.703 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.269 -7.817 3.445 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.266 -8.547 2.814 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -8.539 -6.514 3.827 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.506 -7.987 2.572 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -9.776 -5.948 3.588 1.00 0.00 C ATOM 1408 CZ PHE A 88 -10.761 -6.686 2.961 1.00 0.00 C ATOM 0 H PHE A 88 -6.264 -7.008 1.065 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.131 -9.081 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.054 -9.402 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.383 -7.803 4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.071 -9.564 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.773 -5.933 4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.274 -8.565 2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.973 -4.930 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.730 -6.246 2.775 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.002 -10.714 1.793 1.00 0.00 N ATOM 1419 CA LYS A 89 -7.683 -11.674 0.941 1.00 0.00 C ATOM 1420 C LYS A 89 -8.887 -12.269 1.666 1.00 0.00 C ATOM 1421 O LYS A 89 -8.734 -13.103 2.558 1.00 0.00 O ATOM 1422 CB LYS A 89 -6.709 -12.787 0.548 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.341 -13.927 -0.219 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.718 -13.479 -1.610 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.482 -13.100 -2.414 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.517 -14.229 -2.513 1.00 0.00 N ATOM 0 H LYS A 89 -6.700 -11.096 2.689 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.036 -11.165 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.910 -12.357 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.247 -13.185 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.646 -14.765 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.226 -14.282 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.257 -14.278 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.394 -12.626 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.781 -12.789 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.993 -12.245 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.845 -14.044 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.998 -14.322 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.033 -15.111 -2.707 1.00 0.00 H new ATOM 1440 N SER A 90 -10.082 -11.835 1.283 1.00 0.00 N ATOM 1441 CA SER A 90 -11.310 -12.326 1.906 1.00 0.00 C ATOM 1442 C SER A 90 -11.923 -13.462 1.100 1.00 0.00 C ATOM 1443 O SER A 90 -13.133 -13.683 1.131 1.00 0.00 O ATOM 1444 CB SER A 90 -12.322 -11.194 2.047 1.00 0.00 C ATOM 1445 OG SER A 90 -12.668 -10.657 0.782 1.00 0.00 O ATOM 0 H SER A 90 -10.229 -11.146 0.546 1.00 0.00 H new ATOM 0 HA SER A 90 -11.051 -12.706 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.218 -11.563 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.907 -10.408 2.678 1.00 0.00 H new ATOM 0 HG SER A 90 -11.852 -10.437 0.286 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.074 -14.178 0.383 1.00 0.00 N ATOM 1452 CA GLY A 91 -11.533 -15.290 -0.428 1.00 0.00 C ATOM 1453 C GLY A 91 -11.334 -16.629 0.257 1.00 0.00 C ATOM 1454 O GLY A 91 -12.308 -17.147 0.844 1.00 0.00 O ATOM 1455 OXT GLY A 91 -10.204 -17.159 0.206 1.00 0.00 O ATOM 0 H GLY A 91 -10.069 -14.010 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.590 -15.156 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.998 -15.288 -1.378 1.00 0.00 H new