USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 585 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 74 MET CE :methyl -160:sc= -0.102 (180deg=-0.568) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -2.23! C(o=-4.4!,f=-2.9!) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.625 K(o=-2.9,f=-7.7!) USER MOD Single : A 11 SER OG : rot 31:sc= 0.0836 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 23 MET CE :methyl -161:sc= -1.59 (180deg=-1.76) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.077 F(o=-0.81!,f=-0.077) USER MOD Single : A 38 MET CE :methyl -159:sc= -0.124 (180deg=-0.632) USER MOD Single : A 40 ASN : amide:sc= 0.59 K(o=0.59,f=-1.5) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -105:sc= 1.29 (180deg=-0.252) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 53 SER OG : rot 180:sc= -0.236 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.931) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.459 F(o=-1.4,f=-0.46) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.217 F(o=-1.3,f=-0.22) USER MOD Single : A 83 THR OG1 : rot 67:sc= 1.04 USER MOD Single : A 84 MET CE :methyl 155:sc= -0.194 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 7.774 -9.614 -6.396 1.00 0.00 N ATOM 56 CA SER A 11 8.746 -8.937 -5.546 1.00 0.00 C ATOM 57 C SER A 11 8.308 -7.513 -5.226 1.00 0.00 C ATOM 58 O SER A 11 8.567 -7.009 -4.138 1.00 0.00 O ATOM 59 CB SER A 11 10.118 -8.939 -6.212 1.00 0.00 C ATOM 60 OG SER A 11 10.552 -10.267 -6.460 1.00 0.00 O ATOM 0 HA SER A 11 8.809 -9.482 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.074 -8.384 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.839 -8.429 -5.573 1.00 0.00 H new ATOM 0 HG SER A 11 9.774 -10.841 -6.620 1.00 0.00 H new ATOM 66 N GLU A 12 7.622 -6.884 -6.166 1.00 0.00 N ATOM 67 CA GLU A 12 7.120 -5.528 -5.976 1.00 0.00 C ATOM 68 C GLU A 12 6.035 -5.493 -4.894 1.00 0.00 C ATOM 69 O GLU A 12 5.782 -4.461 -4.289 1.00 0.00 O ATOM 70 CB GLU A 12 6.573 -4.989 -7.295 1.00 0.00 C ATOM 71 CG GLU A 12 7.629 -4.865 -8.381 1.00 0.00 C ATOM 72 CD GLU A 12 7.040 -4.612 -9.746 1.00 0.00 C ATOM 73 OE1 GLU A 12 6.620 -5.587 -10.408 1.00 0.00 O ATOM 74 OE2 GLU A 12 7.006 -3.442 -10.176 1.00 0.00 O ATOM 0 H GLU A 12 7.398 -7.291 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 12 7.944 -4.896 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.777 -5.647 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.125 -4.011 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.309 -4.052 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.222 -5.779 -8.410 1.00 0.00 H new ATOM 81 N THR A 13 5.404 -6.635 -4.669 1.00 0.00 N ATOM 82 CA THR A 13 4.361 -6.756 -3.665 1.00 0.00 C ATOM 83 C THR A 13 4.935 -7.280 -2.333 1.00 0.00 C ATOM 84 O THR A 13 4.369 -7.054 -1.263 1.00 0.00 O ATOM 85 CB THR A 13 3.265 -7.718 -4.161 1.00 0.00 C ATOM 86 OG1 THR A 13 2.964 -7.424 -5.534 1.00 0.00 O ATOM 87 CG2 THR A 13 1.998 -7.577 -3.332 1.00 0.00 C ATOM 0 H THR A 13 5.600 -7.499 -5.175 1.00 0.00 H new ATOM 0 HA THR A 13 3.936 -5.766 -3.497 1.00 0.00 H new ATOM 0 HB THR A 13 3.632 -8.740 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.268 -8.035 -5.854 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.241 -8.268 -3.704 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.218 -7.807 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.626 -6.555 -3.408 1.00 0.00 H new ATOM 95 N TYR A 14 6.065 -7.966 -2.417 1.00 0.00 N ATOM 96 CA TYR A 14 6.706 -8.559 -1.249 1.00 0.00 C ATOM 97 C TYR A 14 7.692 -7.586 -0.588 1.00 0.00 C ATOM 98 O TYR A 14 8.049 -7.742 0.584 1.00 0.00 O ATOM 99 CB TYR A 14 7.428 -9.859 -1.666 1.00 0.00 C ATOM 100 CG TYR A 14 8.455 -10.348 -0.668 1.00 0.00 C ATOM 101 CD1 TYR A 14 8.085 -11.108 0.432 1.00 0.00 C ATOM 102 CD2 TYR A 14 9.799 -10.031 -0.823 1.00 0.00 C ATOM 103 CE1 TYR A 14 9.024 -11.538 1.347 1.00 0.00 C ATOM 104 CE2 TYR A 14 10.741 -10.457 0.083 1.00 0.00 C ATOM 105 CZ TYR A 14 10.352 -11.208 1.168 1.00 0.00 C ATOM 106 OH TYR A 14 11.297 -11.636 2.079 1.00 0.00 O ATOM 0 H TYR A 14 6.563 -8.128 -3.292 1.00 0.00 H new ATOM 0 HA TYR A 14 5.935 -8.788 -0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.684 -10.641 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.919 -9.696 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.046 -11.367 0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.109 -9.439 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.721 -12.129 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.781 -10.203 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 14 12.183 -11.319 1.805 1.00 0.00 H new ATOM 116 N ILE A 15 8.105 -6.578 -1.326 1.00 0.00 N ATOM 117 CA ILE A 15 9.102 -5.639 -0.843 1.00 0.00 C ATOM 118 C ILE A 15 8.512 -4.738 0.262 1.00 0.00 C ATOM 119 O ILE A 15 7.299 -4.731 0.490 1.00 0.00 O ATOM 120 CB ILE A 15 9.657 -4.775 -2.020 1.00 0.00 C ATOM 121 CG1 ILE A 15 10.981 -4.099 -1.642 1.00 0.00 C ATOM 122 CG2 ILE A 15 8.637 -3.735 -2.467 1.00 0.00 C ATOM 123 CD1 ILE A 15 12.098 -5.070 -1.326 1.00 0.00 C ATOM 0 H ILE A 15 7.765 -6.385 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 15 9.928 -6.207 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 15 9.848 -5.449 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.295 -3.454 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.816 -3.457 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.051 -3.149 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.729 -4.236 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.401 -3.075 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 15 13.000 -4.515 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.806 -5.699 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.293 -5.696 -2.197 1.00 0.00 H new ATOM 135 N THR A 16 9.364 -3.999 0.952 1.00 0.00 N ATOM 136 CA THR A 16 8.912 -3.117 2.000 1.00 0.00 C ATOM 137 C THR A 16 8.289 -1.874 1.402 1.00 0.00 C ATOM 138 O THR A 16 8.667 -1.448 0.311 1.00 0.00 O ATOM 139 CB THR A 16 10.062 -2.730 2.951 1.00 0.00 C ATOM 140 OG1 THR A 16 11.256 -2.516 2.199 1.00 0.00 O ATOM 141 CG2 THR A 16 10.301 -3.811 3.994 1.00 0.00 C ATOM 0 H THR A 16 10.373 -3.996 0.801 1.00 0.00 H new ATOM 0 HA THR A 16 8.162 -3.650 2.584 1.00 0.00 H new ATOM 0 HB THR A 16 9.782 -1.813 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.985 -2.269 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.118 -3.510 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.396 -3.954 4.584 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.561 -4.745 3.497 1.00 0.00 H new ATOM 149 N CYS A 17 7.341 -1.295 2.111 1.00 0.00 N ATOM 150 CA CYS A 17 6.627 -0.131 1.620 1.00 0.00 C ATOM 151 C CYS A 17 7.583 1.030 1.314 1.00 0.00 C ATOM 152 O CYS A 17 7.458 1.679 0.283 1.00 0.00 O ATOM 153 CB CYS A 17 5.555 0.284 2.616 1.00 0.00 C ATOM 154 SG CYS A 17 6.177 0.559 4.295 1.00 0.00 S ATOM 0 H CYS A 17 7.045 -1.613 3.034 1.00 0.00 H new ATOM 0 HA CYS A 17 6.142 -0.400 0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.079 1.198 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.784 -0.486 2.647 1.00 0.00 H new ATOM 159 N ALA A 18 8.551 1.271 2.205 1.00 0.00 N ATOM 160 CA ALA A 18 9.549 2.322 1.996 1.00 0.00 C ATOM 161 C ALA A 18 10.273 2.136 0.664 1.00 0.00 C ATOM 162 O ALA A 18 10.430 3.085 -0.107 1.00 0.00 O ATOM 163 CB ALA A 18 10.557 2.332 3.137 1.00 0.00 C ATOM 0 H ALA A 18 8.663 0.752 3.076 1.00 0.00 H new ATOM 0 HA ALA A 18 9.027 3.279 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.292 3.119 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.039 2.517 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.063 1.367 3.184 1.00 0.00 H new ATOM 169 N GLU A 19 10.692 0.905 0.391 1.00 0.00 N ATOM 170 CA GLU A 19 11.399 0.597 -0.843 1.00 0.00 C ATOM 171 C GLU A 19 10.448 0.627 -2.038 1.00 0.00 C ATOM 172 O GLU A 19 10.872 0.781 -3.179 1.00 0.00 O ATOM 173 CB GLU A 19 12.089 -0.761 -0.749 1.00 0.00 C ATOM 174 CG GLU A 19 13.060 -0.889 0.418 1.00 0.00 C ATOM 175 CD GLU A 19 14.171 0.133 0.380 1.00 0.00 C ATOM 176 OE1 GLU A 19 15.167 -0.093 -0.339 1.00 0.00 O ATOM 177 OE2 GLU A 19 14.073 1.156 1.088 1.00 0.00 O ATOM 0 H GLU A 19 10.553 0.105 1.009 1.00 0.00 H new ATOM 0 HA GLU A 19 12.161 1.362 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.329 -1.537 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.628 -0.947 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.510 -0.784 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.494 -1.889 0.414 1.00 0.00 H new ATOM 184 N ALA A 20 9.160 0.484 -1.769 1.00 0.00 N ATOM 185 CA ALA A 20 8.170 0.535 -2.816 1.00 0.00 C ATOM 186 C ALA A 20 7.975 1.976 -3.269 1.00 0.00 C ATOM 187 O ALA A 20 7.808 2.254 -4.453 1.00 0.00 O ATOM 188 CB ALA A 20 6.854 -0.067 -2.343 1.00 0.00 C ATOM 0 H ALA A 20 8.783 0.332 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 20 8.520 -0.055 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.121 -0.018 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.011 -1.107 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.486 0.493 -1.483 1.00 0.00 H new ATOM 194 N ASN A 21 8.032 2.895 -2.312 1.00 0.00 N ATOM 195 CA ASN A 21 7.877 4.315 -2.603 1.00 0.00 C ATOM 196 C ASN A 21 9.054 4.829 -3.412 1.00 0.00 C ATOM 197 O ASN A 21 8.875 5.529 -4.409 1.00 0.00 O ATOM 198 CB ASN A 21 7.705 5.135 -1.321 1.00 0.00 C ATOM 199 CG ASN A 21 6.317 4.994 -0.719 1.00 0.00 C ATOM 200 OD1 ASN A 21 5.409 5.872 -1.112 1.00 0.00 O flip ATOM 201 ND2 ASN A 21 6.066 4.113 0.097 1.00 0.00 N flip ATOM 0 H ASN A 21 8.185 2.681 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 21 6.970 4.433 -3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.448 4.818 -0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.898 6.186 -1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.793 3.454 0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.130 4.040 0.497 1.00 0.00 H new ATOM 208 N GLU A 22 10.268 4.508 -2.967 1.00 0.00 N ATOM 209 CA GLU A 22 11.462 4.880 -3.723 1.00 0.00 C ATOM 210 C GLU A 22 11.422 4.291 -5.138 1.00 0.00 C ATOM 211 O GLU A 22 11.886 4.917 -6.092 1.00 0.00 O ATOM 212 CB GLU A 22 12.759 4.496 -2.973 1.00 0.00 C ATOM 213 CG GLU A 22 12.959 3.006 -2.752 1.00 0.00 C ATOM 214 CD GLU A 22 13.980 2.397 -3.693 1.00 0.00 C ATOM 215 OE1 GLU A 22 13.627 2.074 -4.839 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.148 2.235 -3.281 1.00 0.00 O ATOM 0 H GLU A 22 10.449 4.000 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 22 11.468 5.966 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.611 4.882 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.761 4.995 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.276 2.837 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.005 2.494 -2.880 1.00 0.00 H new ATOM 223 N MET A 23 10.858 3.090 -5.271 1.00 0.00 N ATOM 224 CA MET A 23 10.689 2.463 -6.578 1.00 0.00 C ATOM 225 C MET A 23 9.692 3.258 -7.427 1.00 0.00 C ATOM 226 O MET A 23 9.884 3.425 -8.616 1.00 0.00 O ATOM 227 CB MET A 23 10.231 1.008 -6.424 1.00 0.00 C ATOM 228 CG MET A 23 10.043 0.274 -7.743 1.00 0.00 C ATOM 229 SD MET A 23 9.729 -1.494 -7.528 1.00 0.00 S ATOM 230 CE MET A 23 8.218 -1.471 -6.568 1.00 0.00 C ATOM 0 H MET A 23 10.511 2.534 -4.489 1.00 0.00 H new ATOM 0 HA MET A 23 11.652 2.464 -7.088 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.963 0.470 -5.822 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.290 0.991 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.211 0.722 -8.287 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.934 0.407 -8.357 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.084 -2.435 -6.078 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.278 -0.686 -5.814 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.371 -1.278 -7.227 1.00 0.00 H new ATOM 240 N ALA A 24 8.619 3.722 -6.792 1.00 0.00 N ATOM 241 CA ALA A 24 7.614 4.574 -7.447 1.00 0.00 C ATOM 242 C ALA A 24 8.249 5.787 -8.134 1.00 0.00 C ATOM 243 O ALA A 24 7.680 6.349 -9.061 1.00 0.00 O ATOM 244 CB ALA A 24 6.560 5.028 -6.444 1.00 0.00 C ATOM 0 H ALA A 24 8.416 3.522 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 24 7.135 3.972 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.826 5.657 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.061 4.156 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.038 5.596 -5.646 1.00 0.00 H new ATOM 250 N LYS A 25 9.425 6.189 -7.672 1.00 0.00 N ATOM 251 CA LYS A 25 10.143 7.303 -8.285 1.00 0.00 C ATOM 252 C LYS A 25 10.611 6.936 -9.698 1.00 0.00 C ATOM 253 O LYS A 25 10.867 7.812 -10.529 1.00 0.00 O ATOM 254 CB LYS A 25 11.332 7.719 -7.422 1.00 0.00 C ATOM 255 CG LYS A 25 10.941 8.191 -6.029 1.00 0.00 C ATOM 256 CD LYS A 25 12.166 8.539 -5.202 1.00 0.00 C ATOM 257 CE LYS A 25 11.780 9.025 -3.815 1.00 0.00 C ATOM 258 NZ LYS A 25 12.973 9.355 -2.997 1.00 0.00 N ATOM 0 H LYS A 25 9.903 5.763 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 25 9.458 8.147 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.017 6.876 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.875 8.518 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.292 9.063 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.369 7.412 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.809 7.663 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.744 9.310 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.144 9.906 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.194 8.257 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.670 9.683 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.568 8.508 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.519 10.106 -3.466 1.00 0.00 H new ATOM 272 N THR A 26 10.714 5.639 -9.962 1.00 0.00 N ATOM 273 CA THR A 26 11.103 5.156 -11.275 1.00 0.00 C ATOM 274 C THR A 26 9.909 4.492 -11.958 1.00 0.00 C ATOM 275 O THR A 26 9.725 4.608 -13.166 1.00 0.00 O ATOM 276 CB THR A 26 12.281 4.144 -11.203 1.00 0.00 C ATOM 277 OG1 THR A 26 11.881 2.952 -10.508 1.00 0.00 O ATOM 278 CG2 THR A 26 13.480 4.762 -10.496 1.00 0.00 C ATOM 0 H THR A 26 10.532 4.903 -9.280 1.00 0.00 H new ATOM 0 HA THR A 26 11.437 6.019 -11.852 1.00 0.00 H new ATOM 0 HB THR A 26 12.563 3.887 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.375 2.373 -11.116 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.293 4.037 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.809 5.646 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.198 5.046 -9.482 1.00 0.00 H new ATOM 286 N ASP A 27 9.095 3.808 -11.160 1.00 0.00 N ATOM 287 CA ASP A 27 7.917 3.105 -11.654 1.00 0.00 C ATOM 288 C ASP A 27 6.714 3.405 -10.772 1.00 0.00 C ATOM 289 O ASP A 27 6.283 2.564 -9.979 1.00 0.00 O ATOM 290 CB ASP A 27 8.164 1.596 -11.689 1.00 0.00 C ATOM 291 CG ASP A 27 9.281 1.197 -12.623 1.00 0.00 C ATOM 292 OD1 ASP A 27 10.464 1.335 -12.237 1.00 0.00 O ATOM 293 OD2 ASP A 27 8.987 0.731 -13.746 1.00 0.00 O ATOM 0 H ASP A 27 9.234 3.726 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 27 7.715 3.453 -12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.400 1.250 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.247 1.091 -11.993 1.00 0.00 H new ATOM 298 N SER A 28 6.200 4.614 -10.892 1.00 0.00 N ATOM 299 CA SER A 28 5.061 5.074 -10.108 1.00 0.00 C ATOM 300 C SER A 28 3.830 4.180 -10.302 1.00 0.00 C ATOM 301 O SER A 28 3.237 3.710 -9.325 1.00 0.00 O ATOM 302 CB SER A 28 4.734 6.529 -10.485 1.00 0.00 C ATOM 303 OG SER A 28 3.714 7.069 -9.658 1.00 0.00 O ATOM 0 H SER A 28 6.561 5.313 -11.541 1.00 0.00 H new ATOM 0 HA SER A 28 5.332 5.019 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.634 7.138 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.419 6.573 -11.527 1.00 0.00 H new ATOM 0 HG SER A 28 3.533 7.995 -9.924 1.00 0.00 H new ATOM 309 N ALA A 29 3.465 3.930 -11.558 1.00 0.00 N ATOM 310 CA ALA A 29 2.283 3.128 -11.877 1.00 0.00 C ATOM 311 C ALA A 29 2.369 1.736 -11.264 1.00 0.00 C ATOM 312 O ALA A 29 1.388 1.225 -10.731 1.00 0.00 O ATOM 313 CB ALA A 29 2.099 3.033 -13.383 1.00 0.00 C ATOM 0 H ALA A 29 3.972 4.272 -12.374 1.00 0.00 H new ATOM 0 HA ALA A 29 1.416 3.628 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.216 2.434 -13.605 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.972 4.033 -13.798 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.977 2.564 -13.828 1.00 0.00 H new ATOM 319 N GLN A 30 3.555 1.141 -11.319 1.00 0.00 N ATOM 320 CA GLN A 30 3.778 -0.200 -10.782 1.00 0.00 C ATOM 321 C GLN A 30 3.433 -0.272 -9.303 1.00 0.00 C ATOM 322 O GLN A 30 2.815 -1.222 -8.852 1.00 0.00 O ATOM 323 CB GLN A 30 5.231 -0.622 -10.997 1.00 0.00 C ATOM 324 CG GLN A 30 5.565 -0.925 -12.446 1.00 0.00 C ATOM 325 CD GLN A 30 4.963 -2.233 -12.927 1.00 0.00 C ATOM 326 OE1 GLN A 30 4.926 -3.227 -12.059 1.00 0.00 O flip ATOM 327 NE2 GLN A 30 4.574 -2.360 -14.083 1.00 0.00 N flip ATOM 0 H GLN A 30 4.384 1.568 -11.733 1.00 0.00 H new ATOM 0 HA GLN A 30 3.120 -0.884 -11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.888 0.171 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.438 -1.505 -10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.204 -0.111 -13.075 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.648 -0.963 -12.564 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.618 -1.569 -14.726 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.206 -3.256 -14.402 1.00 0.00 H new ATOM 336 N VAL A 31 3.799 0.754 -8.568 1.00 0.00 N ATOM 337 CA VAL A 31 3.579 0.775 -7.137 1.00 0.00 C ATOM 338 C VAL A 31 2.141 1.154 -6.812 1.00 0.00 C ATOM 339 O VAL A 31 1.539 0.609 -5.885 1.00 0.00 O ATOM 340 CB VAL A 31 4.543 1.755 -6.442 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.351 1.734 -4.931 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.975 1.417 -6.806 1.00 0.00 C ATOM 0 H VAL A 31 4.253 1.589 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 31 3.772 -0.231 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 31 4.320 2.764 -6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.044 2.435 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.328 2.022 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.543 0.730 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.651 2.114 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.202 0.401 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.103 1.492 -7.886 1.00 0.00 H new ATOM 352 N ALA A 32 1.579 2.047 -7.612 1.00 0.00 N ATOM 353 CA ALA A 32 0.230 2.527 -7.377 1.00 0.00 C ATOM 354 C ALA A 32 -0.790 1.448 -7.693 1.00 0.00 C ATOM 355 O ALA A 32 -1.833 1.370 -7.061 1.00 0.00 O ATOM 356 CB ALA A 32 -0.052 3.787 -8.186 1.00 0.00 C ATOM 0 H ALA A 32 2.037 2.452 -8.428 1.00 0.00 H new ATOM 0 HA ALA A 32 0.145 2.779 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.070 4.125 -7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.651 4.569 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.061 3.570 -9.248 1.00 0.00 H new ATOM 362 N GLU A 33 -0.479 0.604 -8.668 1.00 0.00 N ATOM 363 CA GLU A 33 -1.384 -0.469 -9.038 1.00 0.00 C ATOM 364 C GLU A 33 -1.304 -1.634 -8.061 1.00 0.00 C ATOM 365 O GLU A 33 -2.310 -2.278 -7.787 1.00 0.00 O ATOM 366 CB GLU A 33 -1.133 -0.944 -10.470 1.00 0.00 C ATOM 367 CG GLU A 33 -1.489 0.093 -11.521 1.00 0.00 C ATOM 368 CD GLU A 33 -1.502 -0.473 -12.922 1.00 0.00 C ATOM 369 OE1 GLU A 33 -2.515 -1.103 -13.300 1.00 0.00 O ATOM 370 OE2 GLU A 33 -0.528 -0.280 -13.656 1.00 0.00 O ATOM 0 H GLU A 33 0.384 0.642 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.395 -0.064 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.082 -1.213 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.713 -1.849 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.470 0.512 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.773 0.914 -11.472 1.00 0.00 H new ATOM 377 N ILE A 34 -0.120 -1.891 -7.515 1.00 0.00 N ATOM 378 CA ILE A 34 0.048 -2.994 -6.576 1.00 0.00 C ATOM 379 C ILE A 34 -0.715 -2.707 -5.293 1.00 0.00 C ATOM 380 O ILE A 34 -1.479 -3.551 -4.803 1.00 0.00 O ATOM 381 CB ILE A 34 1.546 -3.267 -6.251 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.282 -3.808 -7.486 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.685 -4.234 -5.082 1.00 0.00 C ATOM 384 CD1 ILE A 34 1.716 -5.108 -8.032 1.00 0.00 C ATOM 0 H ILE A 34 0.729 -1.357 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.353 -3.889 -7.051 1.00 0.00 H new ATOM 0 HB ILE A 34 2.003 -2.320 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.251 -3.054 -8.272 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.331 -3.961 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.741 -4.407 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.209 -3.808 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.205 -5.180 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.294 -5.419 -8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.772 -5.880 -7.264 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.676 -4.959 -8.321 1.00 0.00 H new ATOM 396 N VAL A 35 -0.524 -1.507 -4.763 1.00 0.00 N ATOM 397 CA VAL A 35 -1.216 -1.091 -3.555 1.00 0.00 C ATOM 398 C VAL A 35 -2.723 -0.962 -3.797 1.00 0.00 C ATOM 399 O VAL A 35 -3.522 -1.075 -2.874 1.00 0.00 O ATOM 400 CB VAL A 35 -0.659 0.242 -3.003 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.807 0.099 -2.628 1.00 0.00 C ATOM 402 CG2 VAL A 35 -0.849 1.376 -3.998 1.00 0.00 C ATOM 0 H VAL A 35 0.105 -0.805 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.042 -1.868 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.223 0.489 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.178 1.048 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.914 -0.670 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.382 -0.184 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.447 2.299 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.325 1.139 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.911 1.504 -4.205 1.00 0.00 H new ATOM 412 N ALA A 36 -3.095 -0.736 -5.047 1.00 0.00 N ATOM 413 CA ALA A 36 -4.490 -0.589 -5.423 1.00 0.00 C ATOM 414 C ALA A 36 -5.185 -1.936 -5.516 1.00 0.00 C ATOM 415 O ALA A 36 -6.173 -2.175 -4.828 1.00 0.00 O ATOM 416 CB ALA A 36 -4.611 0.146 -6.747 1.00 0.00 C ATOM 0 H ALA A 36 -2.441 -0.650 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.980 -0.005 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.663 0.247 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.163 1.136 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.093 -0.416 -7.524 1.00 0.00 H new ATOM 422 N VAL A 37 -4.651 -2.820 -6.367 1.00 0.00 N ATOM 423 CA VAL A 37 -5.250 -4.137 -6.610 1.00 0.00 C ATOM 424 C VAL A 37 -5.553 -4.884 -5.313 1.00 0.00 C ATOM 425 O VAL A 37 -6.713 -5.165 -5.015 1.00 0.00 O ATOM 426 CB VAL A 37 -4.358 -5.025 -7.527 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.941 -6.429 -7.658 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.213 -4.392 -8.904 1.00 0.00 C ATOM 0 H VAL A 37 -3.800 -2.645 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.192 -3.942 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.373 -5.100 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.300 -7.030 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.000 -6.892 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.939 -6.369 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.587 -5.026 -9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.197 -4.287 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.752 -3.409 -8.806 1.00 0.00 H new ATOM 438 N MET A 38 -4.528 -5.211 -4.544 1.00 0.00 N ATOM 439 CA MET A 38 -4.730 -5.942 -3.305 1.00 0.00 C ATOM 440 C MET A 38 -5.280 -5.032 -2.210 1.00 0.00 C ATOM 441 O MET A 38 -6.160 -5.428 -1.464 1.00 0.00 O ATOM 442 CB MET A 38 -3.404 -6.597 -2.859 1.00 0.00 C ATOM 443 CG MET A 38 -3.543 -7.659 -1.761 1.00 0.00 C ATOM 444 SD MET A 38 -3.836 -6.977 -0.111 1.00 0.00 S ATOM 445 CE MET A 38 -2.291 -6.122 0.194 1.00 0.00 C ATOM 0 H MET A 38 -3.556 -4.984 -4.753 1.00 0.00 H new ATOM 0 HA MET A 38 -5.468 -6.724 -3.482 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.932 -7.054 -3.728 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.731 -5.816 -2.505 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.365 -8.327 -2.018 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.636 -8.263 -1.737 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.161 -5.977 1.266 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.464 -6.716 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.307 -5.153 -0.304 1.00 0.00 H new ATOM 455 N GLY A 39 -4.778 -3.805 -2.149 1.00 0.00 N ATOM 456 CA GLY A 39 -5.188 -2.871 -1.108 1.00 0.00 C ATOM 457 C GLY A 39 -6.686 -2.626 -1.067 1.00 0.00 C ATOM 458 O GLY A 39 -7.323 -2.821 -0.027 1.00 0.00 O ATOM 0 H GLY A 39 -4.090 -3.435 -2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.864 -3.254 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.677 -1.921 -1.262 1.00 0.00 H new ATOM 462 N ASN A 40 -7.245 -2.186 -2.192 1.00 0.00 N ATOM 463 CA ASN A 40 -8.684 -1.906 -2.287 1.00 0.00 C ATOM 464 C ASN A 40 -9.521 -3.135 -1.908 1.00 0.00 C ATOM 465 O ASN A 40 -10.589 -3.007 -1.312 1.00 0.00 O ATOM 466 CB ASN A 40 -9.056 -1.400 -3.697 1.00 0.00 C ATOM 467 CG ASN A 40 -9.580 -2.486 -4.626 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.778 -2.744 -4.689 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.688 -3.125 -5.345 1.00 0.00 N ATOM 0 H ASN A 40 -6.727 -2.014 -3.054 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.914 -1.117 -1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.812 -0.620 -3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.178 -0.941 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.982 -3.864 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.700 -2.883 -5.266 1.00 0.00 H new ATOM 476 N ALA A 41 -9.026 -4.320 -2.247 1.00 0.00 N ATOM 477 CA ALA A 41 -9.718 -5.554 -1.909 1.00 0.00 C ATOM 478 C ALA A 41 -9.542 -5.879 -0.429 1.00 0.00 C ATOM 479 O ALA A 41 -10.472 -6.329 0.232 1.00 0.00 O ATOM 480 CB ALA A 41 -9.211 -6.699 -2.773 1.00 0.00 C ATOM 0 H ALA A 41 -8.151 -4.450 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.782 -5.419 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.738 -7.616 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.389 -6.469 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.142 -6.834 -2.607 1.00 0.00 H new ATOM 486 N SER A 42 -8.340 -5.641 0.075 1.00 0.00 N ATOM 487 CA SER A 42 -8.015 -5.877 1.473 1.00 0.00 C ATOM 488 C SER A 42 -8.934 -5.067 2.388 1.00 0.00 C ATOM 489 O SER A 42 -9.576 -5.621 3.288 1.00 0.00 O ATOM 490 CB SER A 42 -6.544 -5.521 1.741 1.00 0.00 C ATOM 491 OG SER A 42 -6.176 -5.793 3.085 1.00 0.00 O ATOM 0 H SER A 42 -7.562 -5.278 -0.475 1.00 0.00 H new ATOM 0 HA SER A 42 -8.167 -6.935 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.903 -6.088 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.379 -4.465 1.525 1.00 0.00 H new ATOM 0 HG SER A 42 -5.235 -5.557 3.221 1.00 0.00 H new ATOM 497 N VAL A 43 -9.022 -3.761 2.141 1.00 0.00 N ATOM 498 CA VAL A 43 -9.865 -2.894 2.958 1.00 0.00 C ATOM 499 C VAL A 43 -11.335 -3.263 2.801 1.00 0.00 C ATOM 500 O VAL A 43 -12.115 -3.177 3.749 1.00 0.00 O ATOM 501 CB VAL A 43 -9.654 -1.387 2.628 1.00 0.00 C ATOM 502 CG1 VAL A 43 -8.207 -0.985 2.858 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.072 -1.065 1.202 1.00 0.00 C ATOM 0 H VAL A 43 -8.524 -3.285 1.389 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.567 -3.050 3.995 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.289 -0.811 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.081 0.072 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.943 -1.157 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.558 -1.580 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.911 -0.005 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.477 -1.657 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.128 -1.302 1.070 1.00 0.00 H new ATOM 513 N ALA A 44 -11.698 -3.717 1.617 1.00 0.00 N ATOM 514 CA ALA A 44 -13.055 -4.112 1.333 1.00 0.00 C ATOM 515 C ALA A 44 -13.371 -5.474 1.928 1.00 0.00 C ATOM 516 O ALA A 44 -14.515 -5.888 1.952 1.00 0.00 O ATOM 517 CB ALA A 44 -13.294 -4.123 -0.167 1.00 0.00 C ATOM 0 H ALA A 44 -11.058 -3.821 0.829 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.722 -3.383 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.322 -4.423 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.121 -3.125 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.611 -4.829 -0.639 1.00 0.00 H new ATOM 523 N SER A 45 -12.356 -6.161 2.415 1.00 0.00 N ATOM 524 CA SER A 45 -12.544 -7.498 2.941 1.00 0.00 C ATOM 525 C SER A 45 -12.973 -7.430 4.394 1.00 0.00 C ATOM 526 O SER A 45 -13.794 -8.226 4.852 1.00 0.00 O ATOM 527 CB SER A 45 -11.256 -8.325 2.788 1.00 0.00 C ATOM 528 OG SER A 45 -11.466 -9.691 3.126 1.00 0.00 O ATOM 0 H SER A 45 -11.397 -5.817 2.457 1.00 0.00 H new ATOM 0 HA SER A 45 -13.331 -7.992 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.898 -8.255 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.477 -7.908 3.426 1.00 0.00 H new ATOM 0 HG SER A 45 -10.628 -10.188 3.016 1.00 0.00 H new ATOM 534 N ARG A 46 -12.438 -6.456 5.109 1.00 0.00 N ATOM 535 CA ARG A 46 -12.742 -6.295 6.518 1.00 0.00 C ATOM 536 C ARG A 46 -14.009 -5.455 6.717 1.00 0.00 C ATOM 537 O ARG A 46 -14.677 -5.544 7.751 1.00 0.00 O ATOM 538 CB ARG A 46 -11.558 -5.631 7.215 1.00 0.00 C ATOM 539 CG ARG A 46 -11.817 -5.263 8.657 1.00 0.00 C ATOM 540 CD ARG A 46 -10.758 -4.318 9.176 1.00 0.00 C ATOM 541 NE ARG A 46 -11.210 -3.611 10.362 1.00 0.00 N ATOM 542 CZ ARG A 46 -12.006 -2.541 10.327 1.00 0.00 C ATOM 543 NH1 ARG A 46 -12.447 -2.067 9.155 1.00 0.00 N ATOM 544 NH2 ARG A 46 -12.371 -1.949 11.458 1.00 0.00 N ATOM 0 H ARG A 46 -11.789 -5.763 4.735 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.921 -7.279 6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.701 -6.303 7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.285 -4.730 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.799 -4.798 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.835 -6.165 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.852 -4.878 9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.498 -3.599 8.399 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.901 -3.952 11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.175 -2.524 8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.055 -1.249 9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.043 -2.312 12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.980 -1.131 11.432 1.00 0.00 H new ATOM 558 N ASP A 47 -14.340 -4.651 5.728 1.00 0.00 N ATOM 559 CA ASP A 47 -15.531 -3.816 5.810 1.00 0.00 C ATOM 560 C ASP A 47 -16.667 -4.361 4.979 1.00 0.00 C ATOM 561 O ASP A 47 -17.823 -4.296 5.391 1.00 0.00 O ATOM 562 CB ASP A 47 -15.225 -2.378 5.398 1.00 0.00 C ATOM 563 CG ASP A 47 -14.560 -1.594 6.502 1.00 0.00 C ATOM 564 OD1 ASP A 47 -13.330 -1.673 6.630 1.00 0.00 O ATOM 565 OD2 ASP A 47 -15.283 -0.904 7.262 1.00 0.00 O ATOM 0 H ASP A 47 -13.809 -4.555 4.862 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.847 -3.825 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.579 -2.384 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.151 -1.881 5.109 1.00 0.00 H new ATOM 570 N LEU A 48 -16.336 -4.887 3.800 1.00 0.00 N ATOM 571 CA LEU A 48 -17.334 -5.436 2.859 1.00 0.00 C ATOM 572 C LEU A 48 -18.265 -4.339 2.332 1.00 0.00 C ATOM 573 O LEU A 48 -19.280 -4.619 1.697 1.00 0.00 O ATOM 574 CB LEU A 48 -18.151 -6.567 3.514 1.00 0.00 C ATOM 575 CG LEU A 48 -17.350 -7.790 3.977 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.255 -8.777 4.698 1.00 0.00 C ATOM 577 CD2 LEU A 48 -16.665 -8.464 2.797 1.00 0.00 C ATOM 0 H LEU A 48 -15.375 -4.948 3.464 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.789 -5.853 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.679 -6.156 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.908 -6.900 2.804 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.582 -7.451 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.670 -9.639 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.699 -8.294 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.045 -9.106 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.102 -9.329 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.416 -8.788 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.985 -7.759 2.320 1.00 0.00 H new ATOM 589 N LYS A 49 -17.902 -3.088 2.592 1.00 0.00 N ATOM 590 CA LYS A 49 -18.701 -1.954 2.156 1.00 0.00 C ATOM 591 C LYS A 49 -17.830 -0.883 1.515 1.00 0.00 C ATOM 592 O LYS A 49 -18.271 0.241 1.304 1.00 0.00 O ATOM 593 CB LYS A 49 -19.497 -1.365 3.331 1.00 0.00 C ATOM 594 CG LYS A 49 -18.663 -1.048 4.568 1.00 0.00 C ATOM 595 CD LYS A 49 -19.522 -0.420 5.655 1.00 0.00 C ATOM 596 CE LYS A 49 -18.773 -0.294 6.978 1.00 0.00 C ATOM 597 NZ LYS A 49 -17.584 0.589 6.882 1.00 0.00 N ATOM 0 H LYS A 49 -17.057 -2.835 3.104 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.405 -2.312 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.990 -0.452 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.283 -2.068 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.203 -1.961 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.853 -0.369 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.852 0.567 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.418 -1.023 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.450 0.096 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.459 -1.284 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.721 0.009 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.636 1.147 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.561 1.231 7.700 1.00 0.00 H new ATOM 611 N ILE A 50 -16.602 -1.240 1.198 1.00 0.00 N ATOM 612 CA ILE A 50 -15.685 -0.303 0.576 1.00 0.00 C ATOM 613 C ILE A 50 -15.573 -0.585 -0.918 1.00 0.00 C ATOM 614 O ILE A 50 -15.476 -1.738 -1.334 1.00 0.00 O ATOM 615 CB ILE A 50 -14.280 -0.337 1.243 1.00 0.00 C ATOM 616 CG1 ILE A 50 -14.392 0.068 2.720 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.311 0.588 0.512 1.00 0.00 C ATOM 618 CD1 ILE A 50 -13.072 0.068 3.464 1.00 0.00 C ATOM 0 H ILE A 50 -16.215 -2.170 1.360 1.00 0.00 H new ATOM 0 HA ILE A 50 -16.090 0.699 0.720 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.891 -1.353 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.831 1.064 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.079 -0.614 3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.335 0.548 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.215 0.268 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.690 1.610 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.238 0.365 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.640 -0.932 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.387 0.771 2.990 1.00 0.00 H new ATOM 630 N GLU A 51 -15.589 0.470 -1.710 1.00 0.00 N ATOM 631 CA GLU A 51 -15.532 0.348 -3.156 1.00 0.00 C ATOM 632 C GLU A 51 -14.164 0.736 -3.671 1.00 0.00 C ATOM 633 O GLU A 51 -13.444 1.508 -3.019 1.00 0.00 O ATOM 634 CB GLU A 51 -16.594 1.229 -3.806 1.00 0.00 C ATOM 635 CG GLU A 51 -18.009 0.858 -3.425 1.00 0.00 C ATOM 636 CD GLU A 51 -19.031 1.784 -4.032 1.00 0.00 C ATOM 637 OE1 GLU A 51 -19.378 1.604 -5.214 1.00 0.00 O ATOM 638 OE2 GLU A 51 -19.494 2.707 -3.333 1.00 0.00 O ATOM 0 H GLU A 51 -15.642 1.431 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.724 -0.693 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.413 2.267 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.491 1.167 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.213 -0.163 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.106 0.876 -2.339 1.00 0.00 H new ATOM 645 N GLN A 52 -13.801 0.205 -4.832 1.00 0.00 N ATOM 646 CA GLN A 52 -12.528 0.527 -5.452 1.00 0.00 C ATOM 647 C GLN A 52 -12.514 1.978 -5.925 1.00 0.00 C ATOM 648 O GLN A 52 -12.915 2.299 -7.045 1.00 0.00 O ATOM 649 CB GLN A 52 -12.205 -0.440 -6.608 1.00 0.00 C ATOM 650 CG GLN A 52 -13.324 -0.596 -7.628 1.00 0.00 C ATOM 651 CD GLN A 52 -12.946 -1.496 -8.785 1.00 0.00 C ATOM 652 OE1 GLN A 52 -12.140 -2.421 -8.640 1.00 0.00 O ATOM 653 NE2 GLN A 52 -13.530 -1.244 -9.937 1.00 0.00 N ATOM 0 H GLN A 52 -14.374 -0.452 -5.362 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.747 0.406 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.309 -0.088 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.970 -1.420 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.206 -1.001 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.597 0.386 -8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.190 -0.470 -10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.323 -1.822 -10.751 1.00 0.00 H new ATOM 662 N SER A 53 -12.088 2.848 -5.047 1.00 0.00 N ATOM 663 CA SER A 53 -12.028 4.249 -5.344 1.00 0.00 C ATOM 664 C SER A 53 -10.579 4.711 -5.480 1.00 0.00 C ATOM 665 O SER A 53 -9.766 4.514 -4.574 1.00 0.00 O ATOM 666 CB SER A 53 -12.774 5.051 -4.273 1.00 0.00 C ATOM 667 OG SER A 53 -12.485 4.567 -2.968 1.00 0.00 O ATOM 0 H SER A 53 -11.774 2.602 -4.108 1.00 0.00 H new ATOM 0 HA SER A 53 -12.520 4.426 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.495 6.102 -4.343 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.847 4.994 -4.455 1.00 0.00 H new ATOM 0 HG SER A 53 -12.974 5.099 -2.306 1.00 0.00 H new ATOM 673 N PRO A 54 -10.239 5.318 -6.636 1.00 0.00 N ATOM 674 CA PRO A 54 -8.880 5.820 -6.927 1.00 0.00 C ATOM 675 C PRO A 54 -8.318 6.731 -5.830 1.00 0.00 C ATOM 676 O PRO A 54 -7.104 6.875 -5.701 1.00 0.00 O ATOM 677 CB PRO A 54 -9.071 6.615 -8.217 1.00 0.00 C ATOM 678 CG PRO A 54 -10.239 5.982 -8.879 1.00 0.00 C ATOM 679 CD PRO A 54 -11.154 5.537 -7.774 1.00 0.00 C ATOM 0 HA PRO A 54 -8.164 5.001 -6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.256 7.669 -8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.183 6.566 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.742 6.688 -9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.928 5.136 -9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.905 6.293 -7.546 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.690 4.626 -8.039 1.00 0.00 H new ATOM 687 N GLU A 55 -9.201 7.341 -5.047 1.00 0.00 N ATOM 688 CA GLU A 55 -8.773 8.221 -3.966 1.00 0.00 C ATOM 689 C GLU A 55 -8.087 7.430 -2.854 1.00 0.00 C ATOM 690 O GLU A 55 -7.252 7.965 -2.119 1.00 0.00 O ATOM 691 CB GLU A 55 -9.946 9.029 -3.419 1.00 0.00 C ATOM 692 CG GLU A 55 -10.501 10.031 -4.416 1.00 0.00 C ATOM 693 CD GLU A 55 -11.556 10.932 -3.819 1.00 0.00 C ATOM 694 OE1 GLU A 55 -11.192 11.863 -3.063 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.754 10.721 -4.108 1.00 0.00 O ATOM 0 H GLU A 55 -10.212 7.243 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.046 8.923 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.741 8.346 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.626 9.559 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.685 10.642 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.926 9.494 -5.264 1.00 0.00 H new ATOM 702 N LEU A 56 -8.434 6.159 -2.736 1.00 0.00 N ATOM 703 CA LEU A 56 -7.794 5.298 -1.763 1.00 0.00 C ATOM 704 C LEU A 56 -6.419 4.914 -2.269 1.00 0.00 C ATOM 705 O LEU A 56 -5.427 5.069 -1.569 1.00 0.00 O ATOM 706 CB LEU A 56 -8.628 4.041 -1.499 1.00 0.00 C ATOM 707 CG LEU A 56 -9.996 4.267 -0.852 1.00 0.00 C ATOM 708 CD1 LEU A 56 -10.718 2.944 -0.665 1.00 0.00 C ATOM 709 CD2 LEU A 56 -9.850 4.986 0.483 1.00 0.00 C ATOM 0 H LEU A 56 -9.152 5.705 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.705 5.840 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.777 3.523 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.051 3.374 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.588 4.897 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.689 3.122 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.859 2.466 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.125 2.293 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.835 5.136 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.238 4.384 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.372 5.953 0.325 1.00 0.00 H new ATOM 721 N SER A 57 -6.373 4.459 -3.518 1.00 0.00 N ATOM 722 CA SER A 57 -5.134 4.054 -4.185 1.00 0.00 C ATOM 723 C SER A 57 -4.152 5.232 -4.364 1.00 0.00 C ATOM 724 O SER A 57 -3.041 5.059 -4.856 1.00 0.00 O ATOM 725 CB SER A 57 -5.482 3.450 -5.537 1.00 0.00 C ATOM 726 OG SER A 57 -6.543 2.514 -5.399 1.00 0.00 O ATOM 0 H SER A 57 -7.202 4.359 -4.104 1.00 0.00 H new ATOM 0 HA SER A 57 -4.632 3.319 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.771 4.238 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.606 2.958 -5.960 1.00 0.00 H new ATOM 0 HG SER A 57 -6.759 2.133 -6.276 1.00 0.00 H new ATOM 732 N ALA A 58 -4.569 6.411 -3.948 1.00 0.00 N ATOM 733 CA ALA A 58 -3.747 7.598 -4.051 1.00 0.00 C ATOM 734 C ALA A 58 -3.131 7.924 -2.696 1.00 0.00 C ATOM 735 O ALA A 58 -1.977 8.338 -2.605 1.00 0.00 O ATOM 736 CB ALA A 58 -4.570 8.775 -4.557 1.00 0.00 C ATOM 0 H ALA A 58 -5.485 6.572 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.946 7.408 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.936 9.659 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.975 8.539 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.389 8.971 -3.865 1.00 0.00 H new ATOM 742 N LYS A 59 -3.905 7.702 -1.640 1.00 0.00 N ATOM 743 CA LYS A 59 -3.458 8.004 -0.285 1.00 0.00 C ATOM 744 C LYS A 59 -2.825 6.786 0.371 1.00 0.00 C ATOM 745 O LYS A 59 -2.004 6.918 1.283 1.00 0.00 O ATOM 746 CB LYS A 59 -4.620 8.515 0.573 1.00 0.00 C ATOM 747 CG LYS A 59 -5.212 9.833 0.092 1.00 0.00 C ATOM 748 CD LYS A 59 -6.196 10.413 1.103 1.00 0.00 C ATOM 749 CE LYS A 59 -7.446 9.551 1.251 1.00 0.00 C ATOM 750 NZ LYS A 59 -8.246 9.507 0.003 1.00 0.00 N ATOM 0 H LYS A 59 -4.846 7.313 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.704 8.788 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.406 7.760 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.274 8.637 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.409 10.549 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.718 9.678 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.705 10.508 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.484 11.417 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.156 8.538 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.061 9.942 2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.205 9.166 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.302 10.461 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.793 8.863 -0.677 1.00 0.00 H new ATOM 764 N VAL A 60 -3.201 5.602 -0.105 1.00 0.00 N ATOM 765 CA VAL A 60 -2.708 4.342 0.448 1.00 0.00 C ATOM 766 C VAL A 60 -1.196 4.195 0.260 1.00 0.00 C ATOM 767 O VAL A 60 -0.569 3.416 0.937 1.00 0.00 O ATOM 768 CB VAL A 60 -3.440 3.115 -0.176 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.026 2.904 -1.621 1.00 0.00 C ATOM 770 CG2 VAL A 60 -3.205 1.853 0.651 1.00 0.00 C ATOM 0 H VAL A 60 -3.853 5.488 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.923 4.367 1.516 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.509 3.328 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.553 2.041 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.276 3.790 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.951 2.729 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.728 1.014 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.137 1.638 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.582 2.005 1.662 1.00 0.00 H new ATOM 780 N VAL A 61 -0.629 4.939 -0.684 1.00 0.00 N ATOM 781 CA VAL A 61 0.815 4.906 -0.909 1.00 0.00 C ATOM 782 C VAL A 61 1.486 6.153 -0.300 1.00 0.00 C ATOM 783 O VAL A 61 2.695 6.175 -0.056 1.00 0.00 O ATOM 784 CB VAL A 61 1.156 4.792 -2.424 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.770 6.059 -3.178 1.00 0.00 C ATOM 786 CG2 VAL A 61 2.633 4.453 -2.633 1.00 0.00 C ATOM 0 H VAL A 61 -1.141 5.568 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 61 1.206 4.018 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 61 0.565 3.973 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.022 5.946 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.302 6.230 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.314 6.908 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.842 4.380 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.252 5.236 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.859 3.501 -2.153 1.00 0.00 H new ATOM 796 N GLU A 62 0.675 7.170 -0.034 1.00 0.00 N ATOM 797 CA GLU A 62 1.169 8.438 0.503 1.00 0.00 C ATOM 798 C GLU A 62 1.373 8.356 2.015 1.00 0.00 C ATOM 799 O GLU A 62 2.472 8.560 2.510 1.00 0.00 O ATOM 800 CB GLU A 62 0.217 9.586 0.155 1.00 0.00 C ATOM 801 CG GLU A 62 0.687 10.942 0.668 1.00 0.00 C ATOM 802 CD GLU A 62 -0.247 12.069 0.294 1.00 0.00 C ATOM 803 OE1 GLU A 62 -1.345 12.151 0.870 1.00 0.00 O ATOM 804 OE2 GLU A 62 0.123 12.892 -0.568 1.00 0.00 O ATOM 0 H GLU A 62 -0.334 7.143 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 62 2.135 8.638 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.101 9.636 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.767 9.370 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.782 10.901 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.679 11.152 0.269 1.00 0.00 H new ATOM 811 N LYS A 63 0.307 8.050 2.742 1.00 0.00 N ATOM 812 CA LYS A 63 0.388 7.946 4.197 1.00 0.00 C ATOM 813 C LYS A 63 1.127 6.677 4.586 1.00 0.00 C ATOM 814 O LYS A 63 1.646 6.551 5.693 1.00 0.00 O ATOM 815 CB LYS A 63 -1.009 7.978 4.817 1.00 0.00 C ATOM 816 CG LYS A 63 -1.768 9.260 4.510 1.00 0.00 C ATOM 817 CD LYS A 63 -3.125 9.295 5.189 1.00 0.00 C ATOM 818 CE LYS A 63 -3.859 10.585 4.864 1.00 0.00 C ATOM 819 NZ LYS A 63 -5.169 10.679 5.553 1.00 0.00 N ATOM 0 H LYS A 63 -0.619 7.870 2.354 1.00 0.00 H new ATOM 0 HA LYS A 63 0.944 8.801 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.582 7.127 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.923 7.863 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.178 10.117 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.900 9.354 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.720 8.441 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.999 9.205 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.239 11.435 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.012 10.651 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.631 11.576 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.773 9.884 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.023 10.643 6.582 1.00 0.00 H new ATOM 833 N LEU A 64 1.165 5.755 3.648 1.00 0.00 N ATOM 834 CA LEU A 64 1.862 4.494 3.808 1.00 0.00 C ATOM 835 C LEU A 64 3.334 4.729 4.122 1.00 0.00 C ATOM 836 O LEU A 64 3.841 4.247 5.134 1.00 0.00 O ATOM 837 CB LEU A 64 1.734 3.687 2.532 1.00 0.00 C ATOM 838 CG LEU A 64 2.362 2.309 2.523 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.467 1.332 3.250 1.00 0.00 C ATOM 840 CD2 LEU A 64 2.616 1.849 1.096 1.00 0.00 C ATOM 0 H LEU A 64 0.708 5.860 2.742 1.00 0.00 H new ATOM 0 HA LEU A 64 1.416 3.947 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.673 3.577 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.175 4.265 1.720 1.00 0.00 H new ATOM 0 HG LEU A 64 3.321 2.354 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.924 0.343 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.333 1.659 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.497 1.288 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.068 0.857 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.672 1.811 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.291 2.549 0.603 1.00 0.00 H new ATOM 852 N ASN A 65 4.018 5.492 3.255 1.00 0.00 N ATOM 853 CA ASN A 65 5.447 5.766 3.426 1.00 0.00 C ATOM 854 C ASN A 65 5.746 6.460 4.744 1.00 0.00 C ATOM 855 O ASN A 65 6.875 6.420 5.227 1.00 0.00 O ATOM 856 CB ASN A 65 6.031 6.556 2.226 1.00 0.00 C ATOM 857 CG ASN A 65 5.537 8.002 2.091 1.00 0.00 C ATOM 858 OD1 ASN A 65 5.309 8.706 3.075 1.00 0.00 O ATOM 859 ND2 ASN A 65 5.376 8.449 0.859 1.00 0.00 N ATOM 0 H ASN A 65 3.603 5.928 2.432 1.00 0.00 H new ATOM 0 HA ASN A 65 5.947 4.798 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.117 6.567 2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.791 6.020 1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.054 9.404 0.701 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.574 7.840 0.065 1.00 0.00 H new ATOM 866 N GLN A 66 4.732 7.083 5.329 1.00 0.00 N ATOM 867 CA GLN A 66 4.890 7.737 6.606 1.00 0.00 C ATOM 868 C GLN A 66 5.146 6.688 7.670 1.00 0.00 C ATOM 869 O GLN A 66 6.024 6.836 8.510 1.00 0.00 O ATOM 870 CB GLN A 66 3.640 8.548 6.946 1.00 0.00 C ATOM 871 CG GLN A 66 3.937 9.866 7.631 1.00 0.00 C ATOM 872 CD GLN A 66 4.806 10.770 6.777 1.00 0.00 C ATOM 873 OE1 GLN A 66 4.678 10.651 5.462 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 5.588 11.566 7.295 1.00 0.00 N flip ATOM 0 H GLN A 66 3.794 7.145 4.934 1.00 0.00 H new ATOM 0 HA GLN A 66 5.736 8.423 6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.083 8.742 6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.995 7.951 7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.000 10.375 7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.436 9.676 8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.656 11.626 8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.168 12.166 6.709 1.00 0.00 H new ATOM 883 N VAL A 67 4.354 5.625 7.615 1.00 0.00 N ATOM 884 CA VAL A 67 4.515 4.488 8.506 1.00 0.00 C ATOM 885 C VAL A 67 5.908 3.882 8.340 1.00 0.00 C ATOM 886 O VAL A 67 6.604 3.628 9.317 1.00 0.00 O ATOM 887 CB VAL A 67 3.455 3.395 8.222 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.512 2.298 9.277 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.060 4.000 8.145 1.00 0.00 C ATOM 0 H VAL A 67 3.584 5.529 6.953 1.00 0.00 H new ATOM 0 HA VAL A 67 4.384 4.849 9.526 1.00 0.00 H new ATOM 0 HB VAL A 67 3.683 2.947 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.759 1.542 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.500 1.838 9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.318 2.728 10.260 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.333 3.213 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.820 4.483 9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.027 4.737 7.343 1.00 0.00 H new ATOM 899 N CYS A 68 6.303 3.661 7.089 1.00 0.00 N ATOM 900 CA CYS A 68 7.619 3.098 6.768 1.00 0.00 C ATOM 901 C CYS A 68 8.742 3.989 7.284 1.00 0.00 C ATOM 902 O CYS A 68 9.762 3.504 7.756 1.00 0.00 O ATOM 903 CB CYS A 68 7.750 2.945 5.268 1.00 0.00 C ATOM 904 SG CYS A 68 6.189 2.568 4.436 1.00 0.00 S ATOM 0 H CYS A 68 5.727 3.864 6.272 1.00 0.00 H new ATOM 0 HA CYS A 68 7.701 2.126 7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.160 3.865 4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.466 2.152 5.054 1.00 0.00 H new ATOM 909 N ALA A 69 8.556 5.293 7.156 1.00 0.00 N ATOM 910 CA ALA A 69 9.528 6.259 7.661 1.00 0.00 C ATOM 911 C ALA A 69 9.741 6.079 9.162 1.00 0.00 C ATOM 912 O ALA A 69 10.828 6.336 9.682 1.00 0.00 O ATOM 913 CB ALA A 69 9.077 7.679 7.353 1.00 0.00 C ATOM 0 H ALA A 69 7.741 5.711 6.707 1.00 0.00 H new ATOM 0 HA ALA A 69 10.479 6.081 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.813 8.386 7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.981 7.804 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.113 7.866 7.827 1.00 0.00 H new ATOM 919 N LYS A 70 8.697 5.627 9.848 1.00 0.00 N ATOM 920 CA LYS A 70 8.753 5.397 11.285 1.00 0.00 C ATOM 921 C LYS A 70 9.296 3.998 11.591 1.00 0.00 C ATOM 922 O LYS A 70 9.919 3.777 12.637 1.00 0.00 O ATOM 923 CB LYS A 70 7.355 5.545 11.898 1.00 0.00 C ATOM 924 CG LYS A 70 6.660 6.851 11.558 1.00 0.00 C ATOM 925 CD LYS A 70 5.248 6.887 12.120 1.00 0.00 C ATOM 926 CE LYS A 70 4.496 8.120 11.650 1.00 0.00 C ATOM 927 NZ LYS A 70 3.130 8.188 12.225 1.00 0.00 N ATOM 0 H LYS A 70 7.794 5.411 9.426 1.00 0.00 H new ATOM 0 HA LYS A 70 9.423 6.138 11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.733 4.717 11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.435 5.461 12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.235 7.686 11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.626 6.977 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.709 5.991 11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.288 6.876 13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.053 9.014 11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.432 8.113 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.650 9.044 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.590 7.348 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.191 8.220 13.263 1.00 0.00 H new ATOM 941 N ASP A 71 9.078 3.063 10.668 1.00 0.00 N ATOM 942 CA ASP A 71 9.484 1.665 10.833 1.00 0.00 C ATOM 943 C ASP A 71 9.758 1.063 9.453 1.00 0.00 C ATOM 944 O ASP A 71 8.825 0.699 8.737 1.00 0.00 O ATOM 945 CB ASP A 71 8.377 0.841 11.526 1.00 0.00 C ATOM 946 CG ASP A 71 8.225 1.139 13.005 1.00 0.00 C ATOM 947 OD1 ASP A 71 8.948 0.519 13.818 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.371 1.979 13.368 1.00 0.00 O ATOM 0 H ASP A 71 8.613 3.253 9.780 1.00 0.00 H new ATOM 0 HA ASP A 71 10.379 1.635 11.454 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.427 1.034 11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.594 -0.220 11.399 1.00 0.00 H new ATOM 953 N PRO A 72 11.037 0.956 9.049 1.00 0.00 N ATOM 954 CA PRO A 72 11.407 0.452 7.718 1.00 0.00 C ATOM 955 C PRO A 72 11.159 -1.041 7.582 1.00 0.00 C ATOM 956 O PRO A 72 11.158 -1.584 6.480 1.00 0.00 O ATOM 957 CB PRO A 72 12.914 0.755 7.618 1.00 0.00 C ATOM 958 CG PRO A 72 13.209 1.662 8.767 1.00 0.00 C ATOM 959 CD PRO A 72 12.221 1.306 9.832 1.00 0.00 C ATOM 0 HA PRO A 72 10.815 0.917 6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.504 -0.160 7.677 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.158 1.231 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.231 1.525 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.110 2.708 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.565 0.473 10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.031 2.141 10.507 1.00 0.00 H new ATOM 967 N GLN A 73 10.940 -1.695 8.709 1.00 0.00 N ATOM 968 CA GLN A 73 10.702 -3.129 8.735 1.00 0.00 C ATOM 969 C GLN A 73 9.263 -3.465 8.313 1.00 0.00 C ATOM 970 O GLN A 73 8.858 -4.631 8.306 1.00 0.00 O ATOM 971 CB GLN A 73 10.993 -3.679 10.133 1.00 0.00 C ATOM 972 CG GLN A 73 11.254 -5.175 10.158 1.00 0.00 C ATOM 973 CD GLN A 73 12.479 -5.562 9.346 1.00 0.00 C ATOM 974 OE1 GLN A 73 13.463 -4.673 9.291 1.00 0.00 O flip ATOM 975 NE2 GLN A 73 12.544 -6.655 8.781 1.00 0.00 N flip ATOM 0 H GLN A 73 10.922 -1.251 9.627 1.00 0.00 H new ATOM 0 HA GLN A 73 11.374 -3.600 8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.859 -3.161 10.545 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.149 -3.455 10.785 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.387 -5.501 11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.382 -5.700 9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.766 -7.311 8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.376 -6.904 8.247 1.00 0.00 H new ATOM 984 N MET A 74 8.498 -2.447 7.970 1.00 0.00 N ATOM 985 CA MET A 74 7.129 -2.641 7.531 1.00 0.00 C ATOM 986 C MET A 74 7.080 -3.083 6.073 1.00 0.00 C ATOM 987 O MET A 74 7.397 -2.307 5.164 1.00 0.00 O ATOM 988 CB MET A 74 6.309 -1.356 7.712 1.00 0.00 C ATOM 989 CG MET A 74 6.050 -0.981 9.164 1.00 0.00 C ATOM 990 SD MET A 74 4.989 -2.169 10.022 1.00 0.00 S ATOM 991 CE MET A 74 3.454 -1.981 9.115 1.00 0.00 C ATOM 0 H MET A 74 8.802 -1.474 7.987 1.00 0.00 H new ATOM 0 HA MET A 74 6.694 -3.426 8.149 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.831 -0.533 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.353 -1.474 7.203 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.002 -0.906 9.690 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.587 0.005 9.202 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.627 -2.357 9.717 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.290 -0.927 8.892 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.510 -2.545 8.184 1.00 0.00 H new ATOM 1001 N LEU A 75 6.709 -4.336 5.853 1.00 0.00 N ATOM 1002 CA LEU A 75 6.556 -4.850 4.505 1.00 0.00 C ATOM 1003 C LEU A 75 5.347 -4.209 3.857 1.00 0.00 C ATOM 1004 O LEU A 75 4.470 -3.705 4.554 1.00 0.00 O ATOM 1005 CB LEU A 75 6.410 -6.382 4.493 1.00 0.00 C ATOM 1006 CG LEU A 75 7.688 -7.190 4.764 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.103 -7.101 6.225 1.00 0.00 C ATOM 1008 CD2 LEU A 75 7.497 -8.639 4.345 1.00 0.00 C ATOM 0 H LEU A 75 6.509 -5.012 6.590 1.00 0.00 H new ATOM 0 HA LEU A 75 7.455 -4.601 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.665 -6.660 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.016 -6.680 3.521 1.00 0.00 H new ATOM 0 HG LEU A 75 8.491 -6.758 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.011 -7.684 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.291 -6.060 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.305 -7.495 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.411 -9.199 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.674 -9.076 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.269 -8.683 3.280 1.00 0.00 H new ATOM 1020 N LEU A 76 5.295 -4.222 2.534 1.00 0.00 N ATOM 1021 CA LEU A 76 4.184 -3.611 1.819 1.00 0.00 C ATOM 1022 C LEU A 76 2.857 -4.208 2.273 1.00 0.00 C ATOM 1023 O LEU A 76 1.925 -3.484 2.593 1.00 0.00 O ATOM 1024 CB LEU A 76 4.350 -3.785 0.310 1.00 0.00 C ATOM 1025 CG LEU A 76 3.355 -3.013 -0.558 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.526 -1.514 -0.366 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.518 -3.385 -2.018 1.00 0.00 C ATOM 0 H LEU A 76 6.004 -4.646 1.936 1.00 0.00 H new ATOM 0 HA LEU A 76 4.182 -2.545 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.359 -3.477 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.265 -4.846 0.073 1.00 0.00 H new ATOM 0 HG LEU A 76 2.347 -3.286 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.809 -0.983 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.353 -1.259 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.538 -1.224 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.801 -2.825 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.530 -3.145 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.340 -4.453 -2.143 1.00 0.00 H new ATOM 1039 N ILE A 77 2.800 -5.531 2.329 1.00 0.00 N ATOM 1040 CA ILE A 77 1.589 -6.240 2.740 1.00 0.00 C ATOM 1041 C ILE A 77 1.117 -5.800 4.134 1.00 0.00 C ATOM 1042 O ILE A 77 -0.034 -5.392 4.305 1.00 0.00 O ATOM 1043 CB ILE A 77 1.807 -7.774 2.731 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.183 -8.263 1.324 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.564 -8.498 3.232 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.114 -8.007 0.277 1.00 0.00 C ATOM 0 H ILE A 77 3.582 -6.142 2.094 1.00 0.00 H new ATOM 0 HA ILE A 77 0.816 -5.985 2.015 1.00 0.00 H new ATOM 0 HB ILE A 77 2.633 -8.002 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.106 -7.772 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.389 -9.333 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.739 -9.574 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.344 -8.180 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.281 -8.259 2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.454 -8.380 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.196 -8.520 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.924 -6.936 0.206 1.00 0.00 H new ATOM 1058 N THR A 78 2.019 -5.848 5.112 1.00 0.00 N ATOM 1059 CA THR A 78 1.669 -5.485 6.477 1.00 0.00 C ATOM 1060 C THR A 78 1.284 -4.015 6.561 1.00 0.00 C ATOM 1061 O THR A 78 0.309 -3.656 7.210 1.00 0.00 O ATOM 1062 CB THR A 78 2.818 -5.784 7.467 1.00 0.00 C ATOM 1063 OG1 THR A 78 4.027 -5.155 7.029 1.00 0.00 O ATOM 1064 CG2 THR A 78 3.046 -7.278 7.597 1.00 0.00 C ATOM 0 H THR A 78 2.990 -6.133 4.983 1.00 0.00 H new ATOM 0 HA THR A 78 0.813 -6.097 6.761 1.00 0.00 H new ATOM 0 HB THR A 78 2.533 -5.386 8.441 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.746 -5.351 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.859 -7.462 8.299 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.136 -7.754 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.307 -7.692 6.623 1.00 0.00 H new ATOM 1072 N ALA A 79 2.076 -3.172 5.914 1.00 0.00 N ATOM 1073 CA ALA A 79 1.806 -1.745 5.853 1.00 0.00 C ATOM 1074 C ALA A 79 0.423 -1.445 5.249 1.00 0.00 C ATOM 1075 O ALA A 79 -0.303 -0.585 5.752 1.00 0.00 O ATOM 1076 CB ALA A 79 2.904 -1.038 5.085 1.00 0.00 C ATOM 0 H ALA A 79 2.921 -3.458 5.419 1.00 0.00 H new ATOM 0 HA ALA A 79 1.792 -1.364 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.691 0.030 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.859 -1.199 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.953 -1.436 4.071 1.00 0.00 H new ATOM 1082 N ILE A 80 0.058 -2.154 4.178 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.263 -1.969 3.570 1.00 0.00 C ATOM 1084 C ILE A 80 -2.352 -2.430 4.540 1.00 0.00 C ATOM 1085 O ILE A 80 -3.374 -1.755 4.710 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.399 -2.712 2.206 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.381 -2.164 1.199 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.817 -2.565 1.649 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.404 -2.868 -0.143 1.00 0.00 C ATOM 0 H ILE A 80 0.646 -2.850 3.720 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.383 -0.905 3.365 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.199 -3.771 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.573 -1.102 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.619 -2.248 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.890 -3.091 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.531 -2.990 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.041 -1.509 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.344 -2.424 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.181 -3.926 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.391 -2.762 -0.593 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.118 -3.573 5.196 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.039 -4.073 6.227 1.00 0.00 C ATOM 1103 C ASP A 81 -3.177 -3.043 7.335 1.00 0.00 C ATOM 1104 O ASP A 81 -4.269 -2.796 7.849 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.533 -5.395 6.839 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.024 -6.637 6.115 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -4.233 -6.943 6.205 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -2.199 -7.341 5.500 1.00 0.00 O ATOM 0 H ASP A 81 -1.305 -4.167 5.034 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.004 -4.253 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.443 -5.392 6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.848 -5.446 7.881 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.057 -2.426 7.683 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.014 -1.431 8.740 1.00 0.00 C ATOM 1115 C ASP A 82 -2.762 -0.164 8.330 1.00 0.00 C ATOM 1116 O ASP A 82 -3.430 0.466 9.155 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.571 -1.109 9.114 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.469 -0.422 10.455 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -0.630 -1.107 11.487 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.215 0.796 10.489 1.00 0.00 O ATOM 0 H ASP A 82 -1.155 -2.602 7.240 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.512 -1.846 9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.011 -2.030 9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.132 -0.471 8.347 1.00 0.00 H new ATOM 1125 N THR A 83 -2.660 0.206 7.055 1.00 0.00 N ATOM 1126 CA THR A 83 -3.390 1.342 6.537 1.00 0.00 C ATOM 1127 C THR A 83 -4.893 1.059 6.613 1.00 0.00 C ATOM 1128 O THR A 83 -5.698 1.955 6.874 1.00 0.00 O ATOM 1129 CB THR A 83 -2.980 1.648 5.078 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.556 1.817 5.004 1.00 0.00 O ATOM 1131 CG2 THR A 83 -3.661 2.915 4.574 1.00 0.00 C ATOM 0 H THR A 83 -2.076 -0.270 6.368 1.00 0.00 H new ATOM 0 HA THR A 83 -3.151 2.216 7.143 1.00 0.00 H new ATOM 0 HB THR A 83 -3.292 0.811 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.115 0.961 5.188 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.356 3.108 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.743 2.787 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.372 3.758 5.202 1.00 0.00 H new ATOM 1139 N MET A 84 -5.261 -0.211 6.419 1.00 0.00 N ATOM 1140 CA MET A 84 -6.652 -0.624 6.532 1.00 0.00 C ATOM 1141 C MET A 84 -7.131 -0.438 7.964 1.00 0.00 C ATOM 1142 O MET A 84 -8.269 -0.067 8.195 1.00 0.00 O ATOM 1143 CB MET A 84 -6.842 -2.086 6.114 1.00 0.00 C ATOM 1144 CG MET A 84 -8.269 -2.583 6.286 1.00 0.00 C ATOM 1145 SD MET A 84 -8.418 -4.364 6.085 1.00 0.00 S ATOM 1146 CE MET A 84 -7.485 -4.928 7.506 1.00 0.00 C ATOM 0 H MET A 84 -4.614 -0.964 6.184 1.00 0.00 H new ATOM 0 HA MET A 84 -7.241 -0.000 5.859 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.549 -2.199 5.070 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.173 -2.714 6.702 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.629 -2.303 7.276 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.912 -2.085 5.560 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.825 -5.923 7.793 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.425 -4.965 7.254 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.636 -4.239 8.337 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.244 -0.701 8.926 1.00 0.00 N ATOM 1157 CA ARG A 85 -6.568 -0.523 10.342 1.00 0.00 C ATOM 1158 C ARG A 85 -6.926 0.931 10.608 1.00 0.00 C ATOM 1159 O ARG A 85 -7.863 1.224 11.346 1.00 0.00 O ATOM 1160 CB ARG A 85 -5.382 -0.925 11.224 1.00 0.00 C ATOM 1161 CG ARG A 85 -4.869 -2.334 10.974 1.00 0.00 C ATOM 1162 CD ARG A 85 -3.595 -2.608 11.756 1.00 0.00 C ATOM 1163 NE ARG A 85 -3.831 -2.689 13.196 1.00 0.00 N ATOM 1164 CZ ARG A 85 -2.880 -2.537 14.123 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -1.644 -2.181 13.773 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -3.171 -2.717 15.407 1.00 0.00 N ATOM 0 H ARG A 85 -5.297 -1.037 8.750 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.417 -1.162 10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.567 -0.220 11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.675 -0.837 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.634 -3.057 11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.680 -2.470 9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.154 -3.543 11.410 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.871 -1.819 11.553 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.782 -2.873 13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.418 -2.022 12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.925 -2.067 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.119 -2.971 15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.446 -2.601 16.115 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.146 1.833 10.021 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.404 3.263 10.125 1.00 0.00 C ATOM 1182 C ALA A 86 -7.765 3.614 9.529 1.00 0.00 C ATOM 1183 O ALA A 86 -8.538 4.355 10.129 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.301 4.052 9.437 1.00 0.00 C ATOM 0 H ALA A 86 -5.325 1.595 9.465 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.417 3.532 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.508 5.119 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.345 3.829 9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.258 3.775 8.384 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.053 3.075 8.344 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.351 3.303 7.690 1.00 0.00 C ATOM 1192 C ILE A 87 -10.482 2.678 8.511 1.00 0.00 C ATOM 1193 O ILE A 87 -11.592 3.205 8.570 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.374 2.705 6.261 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.263 3.318 5.410 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -10.733 2.925 5.603 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.159 2.710 4.029 1.00 0.00 C ATOM 0 H ILE A 87 -7.413 2.481 7.817 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.497 4.381 7.624 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.203 1.631 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.438 4.390 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.311 3.195 5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.725 2.497 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.508 2.442 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.938 3.994 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.350 3.192 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.953 1.643 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.098 2.856 3.495 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.169 1.553 9.150 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.124 0.844 9.991 1.00 0.00 C ATOM 1211 C GLY A 88 -11.563 1.636 11.215 1.00 0.00 C ATOM 1212 O GLY A 88 -12.355 1.149 12.028 1.00 0.00 O ATOM 0 H GLY A 88 -9.251 1.111 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.003 0.593 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.680 -0.097 10.317 1.00 0.00 H new