USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 47 LYS NZ :NH3+ -137:sc= -13.3! (180deg=-15.2!) USER MOD Set 1.2: A 51 TYR OH : rot -136:sc= -1.15 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 142:sc= -2.63 (180deg=-0.415) USER MOD Set 2.2: A 84 MET CE :methyl 174:sc= -9.35! (180deg=-7.08!) USER MOD Set 3.1: A 9 THR OG1 : rot -130:sc= -2.69! USER MOD Set 3.2: A 16 CYS SG : rot 6:sc= -1.49 USER MOD Set 4.1: A 10 SER OG : rot -113:sc= 1.88 USER MOD Set 4.2: A 12 THR OG1 : rot -82:sc= 0.201 USER MOD Set 4.3: A 13 CYS SG : rot 61:sc= 1.45 USER MOD Single : A 1 MET CE :methyl 159:sc= -5.86! (180deg=-7.85!) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.0235) USER MOD Single : A 4 ASN : amide:sc= -13.6! C(o=-14!,f=-12!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.91 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 0.903 (180deg=0.558) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.269 (180deg=-0.5) USER MOD Single : A 54 MET CE :methyl 149:sc= -0.0537 (180deg=-1.02) USER MOD Single : A 62 ASN : amide:sc= -14.4! C(o=-14!,f=-28!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -4.32! C(o=-4.3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.778 -3.154 9.870 1.00 0.00 N ATOM 2 CA MET A 1 -10.934 -2.421 8.580 1.00 0.00 C ATOM 3 C MET A 1 -11.109 -3.411 7.428 1.00 0.00 C ATOM 4 O MET A 1 -10.648 -4.534 7.485 1.00 0.00 O ATOM 5 CB MET A 1 -9.638 -1.627 8.416 1.00 0.00 C ATOM 6 CG MET A 1 -8.691 -2.380 7.478 1.00 0.00 C ATOM 7 SD MET A 1 -6.979 -2.093 7.990 1.00 0.00 S ATOM 8 CE MET A 1 -7.195 -2.497 9.741 1.00 0.00 C ATOM 0 H1 MET A 1 -10.575 -2.476 10.632 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.657 -3.666 10.087 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.993 -3.831 9.792 1.00 0.00 H new ATOM 0 HA MET A 1 -11.810 -1.773 8.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.854 -0.637 8.014 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.164 -1.480 9.387 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.914 -3.447 7.499 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.836 -2.044 6.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.229 -2.750 10.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.616 -1.638 10.263 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.871 -3.347 9.838 1.00 0.00 H new ATOM 20 N VAL A 2 -11.766 -3.001 6.379 1.00 0.00 N ATOM 21 CA VAL A 2 -11.965 -3.920 5.224 1.00 0.00 C ATOM 22 C VAL A 2 -10.812 -3.774 4.239 1.00 0.00 C ATOM 23 O VAL A 2 -9.794 -4.427 4.343 1.00 0.00 O ATOM 24 CB VAL A 2 -13.265 -3.466 4.563 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.361 -1.941 4.623 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.266 -3.915 3.098 1.00 0.00 C ATOM 0 H VAL A 2 -12.173 -2.072 6.272 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.006 -4.963 5.538 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.115 -3.905 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.288 -1.616 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.350 -1.616 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.513 -1.502 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.191 -3.594 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.417 -3.469 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.191 -5.001 3.050 1.00 0.00 H new ATOM 36 N VAL A 3 -10.977 -2.918 3.279 1.00 0.00 N ATOM 37 CA VAL A 3 -9.910 -2.721 2.276 1.00 0.00 C ATOM 38 C VAL A 3 -8.933 -1.638 2.737 1.00 0.00 C ATOM 39 O VAL A 3 -9.272 -0.470 2.774 1.00 0.00 O ATOM 40 CB VAL A 3 -10.669 -2.274 1.016 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.688 -1.856 -0.081 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.525 -3.441 0.520 1.00 0.00 C ATOM 0 H VAL A 3 -11.810 -2.344 3.147 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.312 -3.617 2.110 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.300 -1.419 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.243 -1.543 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.075 -1.028 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.046 -2.699 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.070 -3.138 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.882 -4.289 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.234 -3.728 1.297 1.00 0.00 H new ATOM 52 N ASN A 4 -7.712 -1.987 3.041 1.00 0.00 N ATOM 53 CA ASN A 4 -6.749 -0.932 3.453 1.00 0.00 C ATOM 54 C ASN A 4 -5.448 -1.134 2.693 1.00 0.00 C ATOM 55 O ASN A 4 -4.664 -2.015 2.965 1.00 0.00 O ATOM 56 CB ASN A 4 -6.507 -1.199 4.942 1.00 0.00 C ATOM 57 CG ASN A 4 -7.430 -0.338 5.802 1.00 0.00 C ATOM 58 OD1 ASN A 4 -7.011 0.229 6.792 1.00 0.00 O ATOM 59 ND2 ASN A 4 -8.685 -0.229 5.470 1.00 0.00 N ATOM 0 H ASN A 4 -7.347 -2.939 3.022 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.112 0.077 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.678 -2.253 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.467 -0.986 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.317 0.333 6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.036 -0.705 4.639 1.00 0.00 H new ATOM 66 N ILE A 5 -5.238 -0.287 1.734 1.00 0.00 N ATOM 67 CA ILE A 5 -4.015 -0.347 0.900 1.00 0.00 C ATOM 68 C ILE A 5 -3.223 0.951 1.006 1.00 0.00 C ATOM 69 O ILE A 5 -3.777 2.024 0.932 1.00 0.00 O ATOM 70 CB ILE A 5 -4.499 -0.619 -0.527 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.948 -1.106 -0.474 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.623 -1.718 -1.143 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.382 -1.584 -1.861 1.00 0.00 C ATOM 0 H ILE A 5 -5.881 0.465 1.487 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.333 -1.131 1.229 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.435 0.289 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.043 -1.918 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.600 -0.301 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.957 -1.922 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.584 -1.388 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.705 -2.626 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.415 -1.930 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.303 -0.760 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.737 -2.402 -2.182 1.00 0.00 H new ATOM 85 N GLU A 6 -1.945 0.914 1.104 1.00 0.00 N ATOM 86 CA GLU A 6 -1.266 2.221 1.143 1.00 0.00 C ATOM 87 C GLU A 6 -0.135 2.158 0.138 1.00 0.00 C ATOM 88 O GLU A 6 0.747 1.329 0.229 1.00 0.00 O ATOM 89 CB GLU A 6 -0.711 2.310 2.585 1.00 0.00 C ATOM 90 CG GLU A 6 -0.423 3.756 3.004 1.00 0.00 C ATOM 91 CD GLU A 6 0.487 4.412 1.969 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.003 4.742 0.909 1.00 0.00 O ATOM 93 OE2 GLU A 6 1.667 4.561 2.257 1.00 0.00 O ATOM 0 H GLU A 6 -1.358 0.082 1.157 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.899 3.076 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.428 1.869 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.204 1.723 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.355 4.314 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.051 3.774 3.985 1.00 0.00 H new ATOM 100 N VAL A 7 -0.146 3.067 -0.805 1.00 0.00 N ATOM 101 CA VAL A 7 0.895 3.067 -1.856 1.00 0.00 C ATOM 102 C VAL A 7 1.794 4.250 -1.616 1.00 0.00 C ATOM 103 O VAL A 7 1.371 5.288 -1.190 1.00 0.00 O ATOM 104 CB VAL A 7 0.148 3.300 -3.192 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.747 2.112 -3.559 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.725 4.555 -3.077 1.00 0.00 C ATOM 0 H VAL A 7 -0.840 3.810 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 7 1.475 2.144 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 7 0.899 3.420 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.253 2.316 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.137 1.215 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.489 1.959 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.251 4.720 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.450 4.422 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.095 5.417 -2.858 1.00 0.00 H new ATOM 116 N PHE A 8 3.043 4.062 -1.845 1.00 0.00 N ATOM 117 CA PHE A 8 3.964 5.181 -1.604 1.00 0.00 C ATOM 118 C PHE A 8 5.062 5.300 -2.690 1.00 0.00 C ATOM 119 O PHE A 8 6.184 4.868 -2.504 1.00 0.00 O ATOM 120 CB PHE A 8 4.501 4.818 -0.214 1.00 0.00 C ATOM 121 CG PHE A 8 5.881 5.329 -0.024 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.086 6.654 0.363 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.956 4.469 -0.208 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.381 7.120 0.562 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.252 4.932 -0.007 1.00 0.00 C ATOM 126 CZ PHE A 8 8.464 6.261 0.379 1.00 0.00 C ATOM 0 H PHE A 8 3.465 3.197 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 8 3.502 6.167 -1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.847 5.235 0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.490 3.735 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.243 7.314 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.786 3.445 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.548 8.145 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.092 4.268 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.470 6.622 0.536 1.00 0.00 H new ATOM 136 N THR A 9 4.784 5.888 -3.831 1.00 0.00 N ATOM 137 CA THR A 9 5.891 5.982 -4.830 1.00 0.00 C ATOM 138 C THR A 9 6.223 7.445 -5.120 1.00 0.00 C ATOM 139 O THR A 9 7.276 7.941 -4.751 1.00 0.00 O ATOM 140 CB THR A 9 5.356 5.273 -6.073 1.00 0.00 C ATOM 141 OG1 THR A 9 4.650 4.108 -5.665 1.00 0.00 O ATOM 142 CG2 THR A 9 6.511 4.873 -6.993 1.00 0.00 C ATOM 0 H THR A 9 3.886 6.288 -4.103 1.00 0.00 H new ATOM 0 HA THR A 9 6.816 5.526 -4.476 1.00 0.00 H new ATOM 0 HB THR A 9 4.692 5.945 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.964 3.337 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.116 4.369 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.058 5.765 -7.299 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.184 4.200 -6.461 1.00 0.00 H new ATOM 150 N SER A 10 5.336 8.135 -5.760 1.00 0.00 N ATOM 151 CA SER A 10 5.592 9.564 -6.059 1.00 0.00 C ATOM 152 C SER A 10 4.414 10.167 -6.829 1.00 0.00 C ATOM 153 O SER A 10 3.578 9.457 -7.353 1.00 0.00 O ATOM 154 CB SER A 10 6.858 9.575 -6.912 1.00 0.00 C ATOM 155 OG SER A 10 6.500 9.599 -8.286 1.00 0.00 O ATOM 0 H SER A 10 4.442 7.773 -6.091 1.00 0.00 H new ATOM 0 HA SER A 10 5.711 10.158 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.467 10.446 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.462 8.693 -6.697 1.00 0.00 H new ATOM 0 HG SER A 10 6.763 8.754 -8.707 1.00 0.00 H new ATOM 161 N PRO A 11 4.394 11.471 -6.862 1.00 0.00 N ATOM 162 CA PRO A 11 3.319 12.204 -7.563 1.00 0.00 C ATOM 163 C PRO A 11 3.591 12.240 -9.068 1.00 0.00 C ATOM 164 O PRO A 11 2.684 12.309 -9.873 1.00 0.00 O ATOM 165 CB PRO A 11 3.398 13.605 -6.967 1.00 0.00 C ATOM 166 CG PRO A 11 4.810 13.756 -6.486 1.00 0.00 C ATOM 167 CD PRO A 11 5.368 12.374 -6.245 1.00 0.00 C ATOM 0 HA PRO A 11 2.337 11.746 -7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.154 14.363 -7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.689 13.723 -6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.410 14.286 -7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.840 14.345 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.354 12.261 -6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.478 12.171 -5.180 1.00 0.00 H new ATOM 175 N THR A 12 4.838 12.194 -9.456 1.00 0.00 N ATOM 176 CA THR A 12 5.167 12.225 -10.910 1.00 0.00 C ATOM 177 C THR A 12 4.943 10.841 -11.520 1.00 0.00 C ATOM 178 O THR A 12 4.822 10.689 -12.720 1.00 0.00 O ATOM 179 CB THR A 12 6.644 12.612 -10.975 1.00 0.00 C ATOM 180 OG1 THR A 12 7.214 12.520 -9.675 1.00 0.00 O ATOM 181 CG2 THR A 12 6.774 14.047 -11.490 1.00 0.00 C ATOM 0 H THR A 12 5.641 12.136 -8.830 1.00 0.00 H new ATOM 0 HA THR A 12 4.543 12.925 -11.465 1.00 0.00 H new ATOM 0 HB THR A 12 7.168 11.936 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.011 13.335 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.827 14.323 -11.536 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.336 14.117 -12.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.251 14.725 -10.815 1.00 0.00 H new ATOM 189 N CYS A 13 4.886 9.831 -10.698 1.00 0.00 N ATOM 190 CA CYS A 13 4.665 8.453 -11.216 1.00 0.00 C ATOM 191 C CYS A 13 3.453 7.829 -10.521 1.00 0.00 C ATOM 192 O CYS A 13 2.890 8.410 -9.615 1.00 0.00 O ATOM 193 CB CYS A 13 5.938 7.684 -10.865 1.00 0.00 C ATOM 194 SG CYS A 13 7.348 8.821 -10.857 1.00 0.00 S ATOM 0 H CYS A 13 4.983 9.901 -9.685 1.00 0.00 H new ATOM 0 HA CYS A 13 4.468 8.438 -12.288 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.833 7.212 -9.888 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.105 6.886 -11.589 1.00 0.00 H new ATOM 0 HG CYS A 13 7.158 9.741 -9.958 1.00 0.00 H new ATOM 200 N PRO A 14 3.089 6.662 -10.974 1.00 0.00 N ATOM 201 CA PRO A 14 1.932 5.951 -10.392 1.00 0.00 C ATOM 202 C PRO A 14 2.351 5.192 -9.130 1.00 0.00 C ATOM 203 O PRO A 14 3.126 4.257 -9.188 1.00 0.00 O ATOM 204 CB PRO A 14 1.527 4.980 -11.494 1.00 0.00 C ATOM 205 CG PRO A 14 2.768 4.748 -12.305 1.00 0.00 C ATOM 206 CD PRO A 14 3.713 5.902 -12.059 1.00 0.00 C ATOM 0 HA PRO A 14 1.123 6.618 -10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.152 4.046 -11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.729 5.396 -12.109 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.237 3.805 -12.022 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.522 4.677 -13.365 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.705 5.549 -11.777 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.834 6.513 -12.953 1.00 0.00 H new ATOM 214 N TYR A 15 1.842 5.577 -7.993 1.00 0.00 N ATOM 215 CA TYR A 15 2.214 4.863 -6.739 1.00 0.00 C ATOM 216 C TYR A 15 2.061 3.353 -6.943 1.00 0.00 C ATOM 217 O TYR A 15 2.789 2.744 -7.702 1.00 0.00 O ATOM 218 CB TYR A 15 1.228 5.368 -5.682 1.00 0.00 C ATOM 219 CG TYR A 15 1.063 6.865 -5.819 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.125 7.719 -5.498 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.150 7.396 -6.272 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.973 9.105 -5.630 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.302 8.782 -6.405 1.00 0.00 C ATOM 224 CZ TYR A 15 0.760 9.637 -6.084 1.00 0.00 C ATOM 225 OH TYR A 15 0.609 11.002 -6.212 1.00 0.00 O ATOM 0 H TYR A 15 1.188 6.351 -7.877 1.00 0.00 H new ATOM 0 HA TYR A 15 3.247 5.047 -6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.264 4.873 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.591 5.121 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.061 7.309 -5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.969 6.737 -6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.792 9.764 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.238 9.191 -6.755 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.293 11.202 -6.540 1.00 0.00 H new ATOM 235 N CYS A 16 1.119 2.744 -6.275 1.00 0.00 N ATOM 236 CA CYS A 16 0.914 1.272 -6.436 1.00 0.00 C ATOM 237 C CYS A 16 -0.558 0.917 -6.201 1.00 0.00 C ATOM 238 O CYS A 16 -0.865 -0.108 -5.625 1.00 0.00 O ATOM 239 CB CYS A 16 1.797 0.626 -5.365 1.00 0.00 C ATOM 240 SG CYS A 16 3.541 0.880 -5.780 1.00 0.00 S ATOM 0 H CYS A 16 0.481 3.201 -5.624 1.00 0.00 H new ATOM 0 HA CYS A 16 1.171 0.927 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.578 1.060 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.581 -0.440 -5.296 1.00 0.00 H new ATOM 0 HG CYS A 16 3.632 1.665 -6.813 1.00 0.00 H new ATOM 246 N PRO A 17 -1.422 1.784 -6.656 1.00 0.00 N ATOM 247 CA PRO A 17 -2.882 1.568 -6.493 1.00 0.00 C ATOM 248 C PRO A 17 -3.399 0.525 -7.492 1.00 0.00 C ATOM 249 O PRO A 17 -4.584 0.434 -7.744 1.00 0.00 O ATOM 250 CB PRO A 17 -3.480 2.935 -6.805 1.00 0.00 C ATOM 251 CG PRO A 17 -2.479 3.604 -7.694 1.00 0.00 C ATOM 252 CD PRO A 17 -1.123 3.041 -7.351 1.00 0.00 C ATOM 0 HA PRO A 17 -3.143 1.196 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.446 2.839 -7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.645 3.510 -5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.716 3.423 -8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.495 4.684 -7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.525 2.869 -8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.557 3.723 -6.716 1.00 0.00 H new ATOM 260 N MET A 18 -2.526 -0.252 -8.071 1.00 0.00 N ATOM 261 CA MET A 18 -2.984 -1.273 -9.059 1.00 0.00 C ATOM 262 C MET A 18 -3.179 -2.631 -8.385 1.00 0.00 C ATOM 263 O MET A 18 -4.286 -3.118 -8.258 1.00 0.00 O ATOM 264 CB MET A 18 -1.861 -1.349 -10.092 1.00 0.00 C ATOM 265 CG MET A 18 -1.773 -2.772 -10.647 1.00 0.00 C ATOM 266 SD MET A 18 -1.352 -2.709 -12.406 1.00 0.00 S ATOM 267 CE MET A 18 -2.803 -3.603 -13.017 1.00 0.00 C ATOM 0 H MET A 18 -1.520 -0.226 -7.905 1.00 0.00 H new ATOM 0 HA MET A 18 -3.942 -1.007 -9.506 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.048 -0.643 -10.901 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.913 -1.066 -9.635 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.019 -3.340 -10.102 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.723 -3.287 -10.508 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.750 -3.683 -14.103 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.826 -4.601 -12.580 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.708 -3.064 -12.736 1.00 0.00 H new ATOM 277 N ALA A 19 -2.116 -3.248 -7.952 1.00 0.00 N ATOM 278 CA ALA A 19 -2.250 -4.572 -7.288 1.00 0.00 C ATOM 279 C ALA A 19 -3.242 -4.465 -6.133 1.00 0.00 C ATOM 280 O ALA A 19 -3.833 -5.440 -5.714 1.00 0.00 O ATOM 281 CB ALA A 19 -0.853 -4.892 -6.764 1.00 0.00 C ATOM 0 H ALA A 19 -1.163 -2.893 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.617 -5.346 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.866 -5.858 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.151 -4.929 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.542 -4.119 -6.061 1.00 0.00 H new ATOM 287 N ILE A 20 -3.439 -3.280 -5.627 1.00 0.00 N ATOM 288 CA ILE A 20 -4.402 -3.103 -4.505 1.00 0.00 C ATOM 289 C ILE A 20 -5.828 -3.296 -5.016 1.00 0.00 C ATOM 290 O ILE A 20 -6.660 -3.895 -4.364 1.00 0.00 O ATOM 291 CB ILE A 20 -4.194 -1.669 -4.025 1.00 0.00 C ATOM 292 CG1 ILE A 20 -4.930 -0.707 -4.960 1.00 0.00 C ATOM 293 CG2 ILE A 20 -2.701 -1.344 -4.029 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.088 0.648 -4.272 1.00 0.00 C ATOM 0 H ILE A 20 -2.976 -2.427 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.245 -3.823 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.586 -1.562 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.375 -0.592 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.908 -1.112 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.551 -0.320 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.178 -2.030 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.308 -1.450 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.612 1.335 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.661 0.525 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.104 1.053 -4.035 1.00 0.00 H new ATOM 306 N GLU A 21 -6.110 -2.809 -6.193 1.00 0.00 N ATOM 307 CA GLU A 21 -7.473 -2.986 -6.756 1.00 0.00 C ATOM 308 C GLU A 21 -7.863 -4.457 -6.617 1.00 0.00 C ATOM 309 O GLU A 21 -9.007 -4.792 -6.389 1.00 0.00 O ATOM 310 CB GLU A 21 -7.356 -2.574 -8.225 1.00 0.00 C ATOM 311 CG GLU A 21 -8.672 -2.871 -8.947 1.00 0.00 C ATOM 312 CD GLU A 21 -8.914 -1.815 -10.028 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.630 -0.657 -9.772 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.380 -2.185 -11.094 1.00 0.00 O ATOM 0 H GLU A 21 -5.456 -2.298 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.235 -2.394 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.121 -1.512 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.538 -3.115 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.636 -3.864 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.497 -2.873 -8.235 1.00 0.00 H new ATOM 321 N VAL A 22 -6.902 -5.334 -6.723 1.00 0.00 N ATOM 322 CA VAL A 22 -7.194 -6.787 -6.567 1.00 0.00 C ATOM 323 C VAL A 22 -7.499 -7.074 -5.095 1.00 0.00 C ATOM 324 O VAL A 22 -8.481 -7.709 -4.761 1.00 0.00 O ATOM 325 CB VAL A 22 -5.917 -7.496 -7.023 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.843 -8.878 -6.378 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.941 -7.644 -8.548 1.00 0.00 C ATOM 0 H VAL A 22 -5.926 -5.106 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.054 -7.123 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.047 -6.912 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.933 -9.383 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.832 -8.773 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.711 -9.466 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.033 -8.149 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.811 -8.231 -8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.996 -6.658 -9.008 1.00 0.00 H new ATOM 337 N VAL A 23 -6.672 -6.573 -4.215 1.00 0.00 N ATOM 338 CA VAL A 23 -6.916 -6.765 -2.758 1.00 0.00 C ATOM 339 C VAL A 23 -8.252 -6.114 -2.394 1.00 0.00 C ATOM 340 O VAL A 23 -8.966 -6.575 -1.526 1.00 0.00 O ATOM 341 CB VAL A 23 -5.734 -6.103 -2.041 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.199 -4.836 -1.323 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.177 -7.096 -1.016 1.00 0.00 C ATOM 0 H VAL A 23 -5.835 -6.037 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.982 -7.814 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.966 -5.832 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.352 -4.373 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.613 -4.137 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.964 -5.093 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.334 -6.645 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.955 -7.351 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.845 -7.999 -1.528 1.00 0.00 H new ATOM 353 N ASP A 24 -8.589 -5.040 -3.065 1.00 0.00 N ATOM 354 CA ASP A 24 -9.885 -4.356 -2.791 1.00 0.00 C ATOM 355 C ASP A 24 -11.030 -5.254 -3.245 1.00 0.00 C ATOM 356 O ASP A 24 -12.052 -5.372 -2.597 1.00 0.00 O ATOM 357 CB ASP A 24 -9.835 -3.071 -3.617 1.00 0.00 C ATOM 358 CG ASP A 24 -10.778 -2.038 -3.003 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.965 -2.116 -3.268 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.295 -1.185 -2.276 1.00 0.00 O ATOM 0 H ASP A 24 -8.019 -4.608 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.041 -4.142 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.817 -2.681 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.124 -3.276 -4.648 1.00 0.00 H new ATOM 365 N GLU A 25 -10.847 -5.887 -4.369 1.00 0.00 N ATOM 366 CA GLU A 25 -11.884 -6.798 -4.910 1.00 0.00 C ATOM 367 C GLU A 25 -12.198 -7.883 -3.885 1.00 0.00 C ATOM 368 O GLU A 25 -13.343 -8.188 -3.608 1.00 0.00 O ATOM 369 CB GLU A 25 -11.239 -7.387 -6.164 1.00 0.00 C ATOM 370 CG GLU A 25 -12.036 -6.966 -7.399 1.00 0.00 C ATOM 371 CD GLU A 25 -12.399 -8.204 -8.219 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.881 -9.158 -7.631 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.189 -8.178 -9.420 1.00 0.00 O ATOM 0 H GLU A 25 -10.007 -5.808 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.828 -6.301 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.208 -7.044 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.208 -8.474 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.941 -6.438 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.450 -6.275 -8.005 1.00 0.00 H new ATOM 380 N ALA A 26 -11.178 -8.470 -3.321 1.00 0.00 N ATOM 381 CA ALA A 26 -11.395 -9.536 -2.301 1.00 0.00 C ATOM 382 C ALA A 26 -11.786 -8.926 -0.957 1.00 0.00 C ATOM 383 O ALA A 26 -12.631 -9.445 -0.253 1.00 0.00 O ATOM 384 CB ALA A 26 -10.051 -10.250 -2.179 1.00 0.00 C ATOM 0 H ALA A 26 -10.201 -8.257 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.200 -10.212 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.130 -11.051 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.773 -10.670 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.289 -9.539 -1.860 1.00 0.00 H new ATOM 390 N LYS A 27 -11.180 -7.828 -0.582 1.00 0.00 N ATOM 391 CA LYS A 27 -11.526 -7.220 0.732 1.00 0.00 C ATOM 392 C LYS A 27 -12.925 -6.625 0.659 1.00 0.00 C ATOM 393 O LYS A 27 -13.585 -6.425 1.661 1.00 0.00 O ATOM 394 CB LYS A 27 -10.497 -6.108 0.918 1.00 0.00 C ATOM 395 CG LYS A 27 -9.211 -6.680 1.517 1.00 0.00 C ATOM 396 CD LYS A 27 -9.558 -7.831 2.461 1.00 0.00 C ATOM 397 CE LYS A 27 -9.703 -9.125 1.655 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.306 -9.568 1.390 1.00 0.00 N ATOM 0 H LYS A 27 -10.470 -7.334 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.513 -7.940 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.283 -5.636 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.900 -5.334 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.552 -7.032 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.671 -5.902 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.779 -7.945 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.485 -7.614 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.258 -9.879 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.246 -8.953 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.252 -10.604 1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.021 -9.267 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.668 -9.142 2.092 1.00 0.00 H new ATOM 412 N LYS A 28 -13.406 -6.407 -0.531 1.00 0.00 N ATOM 413 CA LYS A 28 -14.783 -5.888 -0.685 1.00 0.00 C ATOM 414 C LYS A 28 -15.730 -7.040 -0.363 1.00 0.00 C ATOM 415 O LYS A 28 -16.685 -6.893 0.369 1.00 0.00 O ATOM 416 CB LYS A 28 -14.901 -5.494 -2.160 1.00 0.00 C ATOM 417 CG LYS A 28 -15.217 -4.003 -2.274 1.00 0.00 C ATOM 418 CD LYS A 28 -16.597 -3.826 -2.908 1.00 0.00 C ATOM 419 CE LYS A 28 -16.490 -2.881 -4.106 1.00 0.00 C ATOM 420 NZ LYS A 28 -16.537 -3.768 -5.302 1.00 0.00 N ATOM 0 H LYS A 28 -12.901 -6.567 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.015 -5.042 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.971 -5.719 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.685 -6.079 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.195 -3.538 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.460 -3.504 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.989 -4.792 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.297 -3.424 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.309 -2.162 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.563 -2.308 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.469 -3.191 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.742 -4.437 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.433 -4.295 -5.308 1.00 0.00 H new ATOM 434 N GLU A 29 -15.431 -8.193 -0.898 1.00 0.00 N ATOM 435 CA GLU A 29 -16.274 -9.401 -0.652 1.00 0.00 C ATOM 436 C GLU A 29 -16.521 -9.583 0.839 1.00 0.00 C ATOM 437 O GLU A 29 -17.559 -10.038 1.266 1.00 0.00 O ATOM 438 CB GLU A 29 -15.418 -10.543 -1.176 1.00 0.00 C ATOM 439 CG GLU A 29 -15.009 -11.454 -0.017 1.00 0.00 C ATOM 440 CD GLU A 29 -16.102 -12.497 0.221 1.00 0.00 C ATOM 441 OE1 GLU A 29 -16.101 -13.496 -0.476 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.925 -12.274 1.094 1.00 0.00 O ATOM 0 H GLU A 29 -14.626 -8.352 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.252 -9.338 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.972 -11.113 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.531 -10.148 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.064 -11.947 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.852 -10.864 0.886 1.00 0.00 H new ATOM 449 N PHE A 30 -15.561 -9.206 1.627 1.00 0.00 N ATOM 450 CA PHE A 30 -15.705 -9.320 3.093 1.00 0.00 C ATOM 451 C PHE A 30 -16.143 -7.947 3.585 1.00 0.00 C ATOM 452 O PHE A 30 -17.263 -7.770 4.016 1.00 0.00 O ATOM 453 CB PHE A 30 -14.292 -9.683 3.621 1.00 0.00 C ATOM 454 CG PHE A 30 -13.867 -8.683 4.677 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.700 -8.424 5.771 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.646 -8.011 4.557 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.314 -7.492 6.740 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.259 -7.080 5.529 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.093 -6.821 6.620 1.00 0.00 C ATOM 0 H PHE A 30 -14.672 -8.819 1.311 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.427 -10.067 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.298 -10.689 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.576 -9.685 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.642 -8.944 5.867 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.001 -8.210 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.960 -7.290 7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.316 -6.562 5.435 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.795 -6.103 7.370 1.00 0.00 H new ATOM 469 N GLY A 31 -15.282 -6.958 3.477 1.00 0.00 N ATOM 470 CA GLY A 31 -15.730 -5.585 3.900 1.00 0.00 C ATOM 471 C GLY A 31 -16.474 -4.882 2.733 1.00 0.00 C ATOM 472 O GLY A 31 -15.902 -4.071 2.030 1.00 0.00 O ATOM 0 H GLY A 31 -14.326 -7.033 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.386 -5.659 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.868 -4.990 4.203 1.00 0.00 H new ATOM 476 N ASP A 32 -17.759 -5.067 2.550 1.00 0.00 N ATOM 477 CA ASP A 32 -18.431 -4.317 1.431 1.00 0.00 C ATOM 478 C ASP A 32 -17.838 -2.889 1.312 1.00 0.00 C ATOM 479 O ASP A 32 -17.793 -2.301 0.249 1.00 0.00 O ATOM 480 CB ASP A 32 -19.895 -4.275 1.860 1.00 0.00 C ATOM 481 CG ASP A 32 -20.493 -2.898 1.577 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.158 -2.324 0.556 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.281 -2.440 2.390 1.00 0.00 O ATOM 0 H ASP A 32 -18.358 -5.681 3.102 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.296 -4.781 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.459 -5.040 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.976 -4.502 2.923 1.00 0.00 H new ATOM 488 N LYS A 33 -17.382 -2.357 2.412 1.00 0.00 N ATOM 489 CA LYS A 33 -16.744 -0.992 2.426 1.00 0.00 C ATOM 490 C LYS A 33 -15.294 -1.035 1.917 1.00 0.00 C ATOM 491 O LYS A 33 -14.627 -2.048 2.004 1.00 0.00 O ATOM 492 CB LYS A 33 -16.831 -0.504 3.870 1.00 0.00 C ATOM 493 CG LYS A 33 -17.875 -1.334 4.602 1.00 0.00 C ATOM 494 CD LYS A 33 -18.611 -0.447 5.604 1.00 0.00 C ATOM 495 CE LYS A 33 -19.638 0.419 4.868 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.573 1.745 5.545 1.00 0.00 N ATOM 0 H LYS A 33 -17.421 -2.813 3.324 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.259 -0.308 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.862 -0.598 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.101 0.552 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.581 -1.762 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.398 -2.167 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.110 -1.063 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.900 0.186 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.397 0.504 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.638 -0.010 4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.249 2.397 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.813 1.633 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.611 2.132 5.460 1.00 0.00 H new ATOM 510 N ILE A 34 -14.777 0.053 1.417 1.00 0.00 N ATOM 511 CA ILE A 34 -13.367 0.021 0.953 1.00 0.00 C ATOM 512 C ILE A 34 -12.596 1.201 1.548 1.00 0.00 C ATOM 513 O ILE A 34 -13.146 2.247 1.822 1.00 0.00 O ATOM 514 CB ILE A 34 -13.434 0.152 -0.565 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.638 -0.981 -1.210 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.842 1.497 -0.994 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.587 -2.132 -1.544 1.00 0.00 C ATOM 0 H ILE A 34 -15.260 0.945 1.312 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.858 -0.893 1.259 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.474 0.096 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.144 -0.626 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.855 -1.323 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.892 1.587 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.410 2.307 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.802 1.556 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.025 -2.945 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.060 -2.491 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.353 -1.783 -2.236 1.00 0.00 H new ATOM 529 N ASP A 35 -11.318 1.034 1.732 1.00 0.00 N ATOM 530 CA ASP A 35 -10.482 2.128 2.298 1.00 0.00 C ATOM 531 C ASP A 35 -9.064 1.967 1.772 1.00 0.00 C ATOM 532 O ASP A 35 -8.181 1.510 2.465 1.00 0.00 O ATOM 533 CB ASP A 35 -10.508 1.922 3.820 1.00 0.00 C ATOM 534 CG ASP A 35 -11.234 3.093 4.487 1.00 0.00 C ATOM 535 OD1 ASP A 35 -12.439 3.189 4.322 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.573 3.876 5.154 1.00 0.00 O ATOM 0 H ASP A 35 -10.811 0.177 1.512 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.842 3.121 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.010 0.985 4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.491 1.846 4.204 1.00 0.00 H new ATOM 541 N VAL A 36 -8.818 2.359 0.562 1.00 0.00 N ATOM 542 CA VAL A 36 -7.452 2.199 0.028 1.00 0.00 C ATOM 543 C VAL A 36 -6.743 3.532 0.208 1.00 0.00 C ATOM 544 O VAL A 36 -7.252 4.568 -0.174 1.00 0.00 O ATOM 545 CB VAL A 36 -7.665 1.883 -1.465 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.340 1.941 -2.233 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.280 0.486 -1.645 1.00 0.00 C ATOM 0 H VAL A 36 -9.497 2.779 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.858 1.424 0.513 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.346 2.636 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.518 1.714 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.912 2.939 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.646 1.211 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.421 0.285 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.612 -0.263 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.243 0.444 -1.136 1.00 0.00 H new ATOM 557 N GLU A 37 -5.567 3.511 0.791 1.00 0.00 N ATOM 558 CA GLU A 37 -4.834 4.782 1.046 1.00 0.00 C ATOM 559 C GLU A 37 -3.584 4.791 0.182 1.00 0.00 C ATOM 560 O GLU A 37 -2.891 3.806 0.051 1.00 0.00 O ATOM 561 CB GLU A 37 -4.395 4.709 2.514 1.00 0.00 C ATOM 562 CG GLU A 37 -5.574 4.847 3.485 1.00 0.00 C ATOM 563 CD GLU A 37 -5.034 5.125 4.898 1.00 0.00 C ATOM 564 OE1 GLU A 37 -3.842 4.950 5.108 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.822 5.506 5.750 1.00 0.00 O ATOM 0 H GLU A 37 -5.087 2.665 1.100 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.440 5.662 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.890 3.760 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.670 5.498 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.230 5.658 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.171 3.935 3.483 1.00 0.00 H new ATOM 572 N LYS A 38 -3.392 5.908 -0.460 1.00 0.00 N ATOM 573 CA LYS A 38 -2.246 6.102 -1.406 1.00 0.00 C ATOM 574 C LYS A 38 -1.391 7.347 -1.133 1.00 0.00 C ATOM 575 O LYS A 38 -1.894 8.447 -1.039 1.00 0.00 O ATOM 576 CB LYS A 38 -2.896 6.130 -2.765 1.00 0.00 C ATOM 577 CG LYS A 38 -3.940 7.220 -2.792 1.00 0.00 C ATOM 578 CD LYS A 38 -5.209 6.720 -2.102 1.00 0.00 C ATOM 579 CE LYS A 38 -6.361 6.745 -3.099 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.035 5.427 -2.945 1.00 0.00 N ATOM 0 H LYS A 38 -3.999 6.723 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.515 5.301 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.147 6.308 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.354 5.165 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.565 8.111 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.159 7.504 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.059 5.708 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.442 7.348 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.047 7.566 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.998 6.886 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.002 5.485 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.502 4.702 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.073 5.172 -1.937 1.00 0.00 H new ATOM 594 N ILE A 39 -0.107 7.215 -1.038 1.00 0.00 N ATOM 595 CA ILE A 39 0.733 8.436 -0.817 1.00 0.00 C ATOM 596 C ILE A 39 1.959 8.460 -1.743 1.00 0.00 C ATOM 597 O ILE A 39 2.273 7.492 -2.404 1.00 0.00 O ATOM 598 CB ILE A 39 1.182 8.347 0.609 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.825 6.964 1.132 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.477 9.422 1.431 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.783 7.006 2.652 1.00 0.00 C ATOM 0 H ILE A 39 0.402 6.333 -1.101 1.00 0.00 H new ATOM 0 HA ILE A 39 0.166 9.342 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 39 2.258 8.504 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.141 6.650 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.560 6.233 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.803 9.358 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.725 10.406 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.601 9.271 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.528 6.018 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.759 7.303 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.032 7.727 2.975 1.00 0.00 H new ATOM 613 N ASP A 40 2.651 9.574 -1.781 1.00 0.00 N ATOM 614 CA ASP A 40 3.884 9.659 -2.626 1.00 0.00 C ATOM 615 C ASP A 40 5.175 9.495 -1.781 1.00 0.00 C ATOM 616 O ASP A 40 5.144 9.490 -0.562 1.00 0.00 O ATOM 617 CB ASP A 40 3.806 11.043 -3.278 1.00 0.00 C ATOM 618 CG ASP A 40 5.147 11.760 -3.152 1.00 0.00 C ATOM 619 OD1 ASP A 40 6.130 11.221 -3.630 1.00 0.00 O ATOM 620 OD2 ASP A 40 5.165 12.845 -2.596 1.00 0.00 O ATOM 0 H ASP A 40 2.417 10.423 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 40 3.930 8.858 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.536 10.943 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.023 11.634 -2.802 1.00 0.00 H new ATOM 625 N ILE A 41 6.315 9.390 -2.423 1.00 0.00 N ATOM 626 CA ILE A 41 7.596 9.262 -1.663 1.00 0.00 C ATOM 627 C ILE A 41 7.819 10.528 -0.825 1.00 0.00 C ATOM 628 O ILE A 41 8.293 10.466 0.291 1.00 0.00 O ATOM 629 CB ILE A 41 8.686 9.146 -2.735 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.064 9.171 -2.069 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.575 10.327 -3.703 1.00 0.00 C ATOM 632 CD1 ILE A 41 9.996 8.432 -0.733 1.00 0.00 C ATOM 0 H ILE A 41 6.412 9.388 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 41 7.597 8.408 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 41 8.559 8.210 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.803 8.702 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.385 10.201 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.349 10.246 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.594 10.317 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.702 11.260 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.977 8.449 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.269 8.920 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.693 7.399 -0.904 1.00 0.00 H new ATOM 644 N MET A 42 7.477 11.678 -1.347 1.00 0.00 N ATOM 645 CA MET A 42 7.666 12.930 -0.551 1.00 0.00 C ATOM 646 C MET A 42 6.522 13.138 0.454 1.00 0.00 C ATOM 647 O MET A 42 6.542 14.063 1.241 1.00 0.00 O ATOM 648 CB MET A 42 7.677 14.053 -1.581 1.00 0.00 C ATOM 649 CG MET A 42 6.335 14.784 -1.553 1.00 0.00 C ATOM 650 SD MET A 42 6.480 16.278 -0.541 1.00 0.00 S ATOM 651 CE MET A 42 4.804 16.257 0.140 1.00 0.00 C ATOM 0 H MET A 42 7.080 11.805 -2.278 1.00 0.00 H new ATOM 0 HA MET A 42 8.583 12.893 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.487 14.750 -1.366 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.861 13.647 -2.576 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.031 15.047 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.562 14.131 -1.148 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.795 16.774 1.100 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.125 16.759 -0.549 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.481 15.225 0.280 1.00 0.00 H new ATOM 661 N VAL A 43 5.528 12.291 0.438 1.00 0.00 N ATOM 662 CA VAL A 43 4.392 12.463 1.396 1.00 0.00 C ATOM 663 C VAL A 43 4.361 11.302 2.383 1.00 0.00 C ATOM 664 O VAL A 43 4.224 11.489 3.574 1.00 0.00 O ATOM 665 CB VAL A 43 3.119 12.472 0.540 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.483 12.526 -0.944 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.313 11.202 0.820 1.00 0.00 C ATOM 0 H VAL A 43 5.451 11.492 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 43 4.488 13.381 1.976 1.00 0.00 H new ATOM 0 HB VAL A 43 2.525 13.351 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.572 12.532 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.055 13.432 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.082 11.653 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.407 11.205 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.914 10.327 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.043 11.168 1.875 1.00 0.00 H new ATOM 677 N ASP A 44 4.495 10.103 1.897 1.00 0.00 N ATOM 678 CA ASP A 44 4.480 8.939 2.816 1.00 0.00 C ATOM 679 C ASP A 44 5.903 8.400 2.981 1.00 0.00 C ATOM 680 O ASP A 44 6.119 7.205 2.985 1.00 0.00 O ATOM 681 CB ASP A 44 3.600 7.895 2.120 1.00 0.00 C ATOM 682 CG ASP A 44 3.895 6.503 2.691 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.296 6.156 3.695 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.711 5.806 2.110 1.00 0.00 O ATOM 0 H ASP A 44 4.614 9.880 0.909 1.00 0.00 H new ATOM 0 HA ASP A 44 4.105 9.194 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.548 8.141 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.788 7.905 1.046 1.00 0.00 H new ATOM 689 N ARG A 45 6.889 9.244 3.115 1.00 0.00 N ATOM 690 CA ARG A 45 8.280 8.725 3.262 1.00 0.00 C ATOM 691 C ARG A 45 8.399 7.951 4.571 1.00 0.00 C ATOM 692 O ARG A 45 9.419 7.366 4.886 1.00 0.00 O ATOM 693 CB ARG A 45 9.126 9.981 3.336 1.00 0.00 C ATOM 694 CG ARG A 45 10.561 9.626 3.734 1.00 0.00 C ATOM 695 CD ARG A 45 10.909 10.290 5.073 1.00 0.00 C ATOM 696 NE ARG A 45 12.145 9.595 5.534 1.00 0.00 N ATOM 697 CZ ARG A 45 12.071 8.659 6.442 1.00 0.00 C ATOM 698 NH1 ARG A 45 10.960 7.995 6.603 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.108 8.387 7.186 1.00 0.00 N ATOM 0 H ARG A 45 6.795 10.260 3.129 1.00 0.00 H new ATOM 0 HA ARG A 45 8.576 8.056 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.123 10.488 2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.700 10.674 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.668 8.544 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.255 9.958 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.079 11.360 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.099 10.176 5.793 1.00 0.00 H new ATOM 0 HE ARG A 45 13.050 9.851 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.150 8.207 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.901 7.264 7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.977 8.905 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.049 7.656 7.895 1.00 0.00 H new ATOM 713 N GLU A 46 7.325 7.921 5.297 1.00 0.00 N ATOM 714 CA GLU A 46 7.290 7.168 6.574 1.00 0.00 C ATOM 715 C GLU A 46 7.511 5.674 6.288 1.00 0.00 C ATOM 716 O GLU A 46 7.924 4.925 7.144 1.00 0.00 O ATOM 717 CB GLU A 46 5.911 7.426 7.190 1.00 0.00 C ATOM 718 CG GLU A 46 5.837 8.899 7.614 1.00 0.00 C ATOM 719 CD GLU A 46 5.962 9.008 9.136 1.00 0.00 C ATOM 720 OE1 GLU A 46 5.056 8.570 9.822 1.00 0.00 O ATOM 721 OE2 GLU A 46 6.967 9.537 9.590 1.00 0.00 O ATOM 0 H GLU A 46 6.454 8.394 5.056 1.00 0.00 H new ATOM 0 HA GLU A 46 8.073 7.484 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.125 7.199 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.752 6.775 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.634 9.466 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.893 9.334 7.285 1.00 0.00 H new ATOM 728 N LYS A 47 7.222 5.237 5.084 1.00 0.00 N ATOM 729 CA LYS A 47 7.427 3.805 4.743 1.00 0.00 C ATOM 730 C LYS A 47 8.776 3.370 5.284 1.00 0.00 C ATOM 731 O LYS A 47 8.877 2.576 6.206 1.00 0.00 O ATOM 732 CB LYS A 47 7.425 3.727 3.210 1.00 0.00 C ATOM 733 CG LYS A 47 8.493 2.729 2.767 1.00 0.00 C ATOM 734 CD LYS A 47 8.153 1.352 3.340 1.00 0.00 C ATOM 735 CE LYS A 47 9.431 0.521 3.483 1.00 0.00 C ATOM 736 NZ LYS A 47 10.145 0.693 2.187 1.00 0.00 N ATOM 0 H LYS A 47 6.854 5.815 4.328 1.00 0.00 H new ATOM 0 HA LYS A 47 6.656 3.162 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.445 3.416 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.625 4.709 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.538 2.684 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.475 3.049 3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.668 1.461 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.446 0.840 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.038 0.870 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.202 -0.528 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.520 -0.225 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.484 1.060 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.930 1.364 2.309 1.00 0.00 H new ATOM 750 N ALA A 48 9.804 3.902 4.682 1.00 0.00 N ATOM 751 CA ALA A 48 11.190 3.564 5.099 1.00 0.00 C ATOM 752 C ALA A 48 11.387 3.846 6.603 1.00 0.00 C ATOM 753 O ALA A 48 12.372 3.480 7.169 1.00 0.00 O ATOM 754 CB ALA A 48 12.138 4.388 4.187 1.00 0.00 C ATOM 0 H ALA A 48 9.739 4.565 3.909 1.00 0.00 H new ATOM 0 HA ALA A 48 11.409 2.503 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.174 4.176 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.968 4.116 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.939 5.451 4.322 1.00 0.00 H new ATOM 760 N ILE A 49 10.465 4.502 7.271 1.00 0.00 N ATOM 761 CA ILE A 49 10.701 4.753 8.722 1.00 0.00 C ATOM 762 C ILE A 49 11.663 3.683 9.177 1.00 0.00 C ATOM 763 O ILE A 49 12.605 3.924 9.904 1.00 0.00 O ATOM 764 CB ILE A 49 9.349 4.628 9.436 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.610 3.368 8.980 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.493 5.855 9.131 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.192 2.146 9.691 1.00 0.00 C ATOM 0 H ILE A 49 9.591 4.862 6.888 1.00 0.00 H new ATOM 0 HA ILE A 49 11.115 5.739 8.934 1.00 0.00 H new ATOM 0 HB ILE A 49 9.530 4.559 10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.547 3.458 9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.702 3.251 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.533 5.764 9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.005 6.752 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.329 5.926 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.664 1.250 9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.250 2.053 9.447 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.077 2.263 10.769 1.00 0.00 H new ATOM 779 N GLU A 50 11.441 2.497 8.704 1.00 0.00 N ATOM 780 CA GLU A 50 12.339 1.365 9.048 1.00 0.00 C ATOM 781 C GLU A 50 13.784 1.757 8.708 1.00 0.00 C ATOM 782 O GLU A 50 14.672 1.688 9.539 1.00 0.00 O ATOM 783 CB GLU A 50 11.855 0.217 8.156 1.00 0.00 C ATOM 784 CG GLU A 50 11.059 -0.786 8.997 1.00 0.00 C ATOM 785 CD GLU A 50 11.501 -2.205 8.646 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.490 -2.339 7.944 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.844 -3.134 9.083 1.00 0.00 O ATOM 0 H GLU A 50 10.666 2.258 8.085 1.00 0.00 H new ATOM 0 HA GLU A 50 12.318 1.092 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.233 0.606 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.706 -0.279 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.219 -0.595 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.992 -0.669 8.809 1.00 0.00 H new ATOM 794 N TYR A 51 14.022 2.189 7.489 1.00 0.00 N ATOM 795 CA TYR A 51 15.398 2.623 7.086 1.00 0.00 C ATOM 796 C TYR A 51 15.381 4.099 6.643 1.00 0.00 C ATOM 797 O TYR A 51 16.323 4.832 6.861 1.00 0.00 O ATOM 798 CB TYR A 51 15.777 1.725 5.904 1.00 0.00 C ATOM 799 CG TYR A 51 14.762 1.872 4.795 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.524 1.233 4.889 1.00 0.00 C ATOM 801 CD2 TYR A 51 15.065 2.642 3.668 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.588 1.363 3.858 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.127 2.773 2.636 1.00 0.00 C ATOM 804 CZ TYR A 51 12.889 2.133 2.732 1.00 0.00 C ATOM 805 OH TYR A 51 11.966 2.257 1.713 1.00 0.00 O ATOM 0 H TYR A 51 13.318 2.259 6.754 1.00 0.00 H new ATOM 0 HA TYR A 51 16.108 2.538 7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.768 1.991 5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.826 0.685 6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.289 0.638 5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.023 3.136 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.631 0.867 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.361 3.369 1.766 1.00 0.00 H new ATOM 0 HH TYR A 51 12.418 2.159 0.849 1.00 0.00 H new ATOM 815 N GLY A 52 14.293 4.540 6.065 1.00 0.00 N ATOM 816 CA GLY A 52 14.179 5.967 5.620 1.00 0.00 C ATOM 817 C GLY A 52 15.466 6.450 4.939 1.00 0.00 C ATOM 818 O GLY A 52 15.612 7.604 4.562 1.00 0.00 O ATOM 0 H GLY A 52 13.469 3.968 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.341 6.068 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.962 6.601 6.480 1.00 0.00 H new ATOM 822 N LEU A 53 16.376 5.548 4.739 1.00 0.00 N ATOM 823 CA LEU A 53 17.641 5.868 4.003 1.00 0.00 C ATOM 824 C LEU A 53 17.282 5.980 2.527 1.00 0.00 C ATOM 825 O LEU A 53 17.082 7.051 1.996 1.00 0.00 O ATOM 826 CB LEU A 53 18.644 4.748 4.323 1.00 0.00 C ATOM 827 CG LEU A 53 18.622 4.532 5.841 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.942 3.915 6.292 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.427 5.880 6.565 1.00 0.00 C ATOM 0 H LEU A 53 16.303 4.582 5.057 1.00 0.00 H new ATOM 0 HA LEU A 53 18.105 6.810 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.374 3.830 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.645 5.022 3.989 1.00 0.00 H new ATOM 0 HG LEU A 53 17.797 3.864 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.923 3.763 7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.085 2.956 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.763 4.584 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.413 5.716 7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.247 6.551 6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.483 6.327 6.254 1.00 0.00 H new ATOM 841 N MET A 54 17.175 4.843 1.888 1.00 0.00 N ATOM 842 CA MET A 54 16.786 4.800 0.456 1.00 0.00 C ATOM 843 C MET A 54 15.264 4.566 0.352 1.00 0.00 C ATOM 844 O MET A 54 14.818 3.536 -0.128 1.00 0.00 O ATOM 845 CB MET A 54 17.542 3.573 -0.060 1.00 0.00 C ATOM 846 CG MET A 54 19.010 3.954 -0.149 1.00 0.00 C ATOM 847 SD MET A 54 20.022 2.649 0.592 1.00 0.00 S ATOM 848 CE MET A 54 19.443 1.311 -0.471 1.00 0.00 C ATOM 0 H MET A 54 17.345 3.930 2.310 1.00 0.00 H new ATOM 0 HA MET A 54 17.013 5.712 -0.097 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.405 2.726 0.612 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.163 3.270 -1.036 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.295 4.102 -1.191 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.183 4.899 0.366 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.242 0.582 -0.607 1.00 0.00 H new ATOM 0 HE2 MET A 54 18.584 0.825 -0.009 1.00 0.00 H new ATOM 0 HE3 MET A 54 19.153 1.716 -1.440 1.00 0.00 H new ATOM 858 N ALA A 55 14.438 5.502 0.763 1.00 0.00 N ATOM 859 CA ALA A 55 12.976 5.230 0.681 1.00 0.00 C ATOM 860 C ALA A 55 12.350 6.087 -0.407 1.00 0.00 C ATOM 861 O ALA A 55 12.399 7.297 -0.366 1.00 0.00 O ATOM 862 CB ALA A 55 12.450 5.684 2.043 1.00 0.00 C ATOM 0 H ALA A 55 14.706 6.412 1.139 1.00 0.00 H new ATOM 0 HA ALA A 55 12.751 4.189 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.373 5.525 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.935 5.108 2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.667 6.743 2.182 1.00 0.00 H new ATOM 868 N VAL A 56 11.757 5.433 -1.382 1.00 0.00 N ATOM 869 CA VAL A 56 11.126 6.159 -2.530 1.00 0.00 C ATOM 870 C VAL A 56 9.926 5.397 -3.090 1.00 0.00 C ATOM 871 O VAL A 56 8.823 5.908 -3.090 1.00 0.00 O ATOM 872 CB VAL A 56 12.207 6.255 -3.587 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.455 7.724 -3.896 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.507 5.606 -3.092 1.00 0.00 C ATOM 0 H VAL A 56 11.684 4.417 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 56 10.756 7.134 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 56 11.882 5.729 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.232 7.810 -4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.535 8.179 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.776 8.237 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.271 5.685 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.848 6.116 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.326 4.555 -2.867 1.00 0.00 H new ATOM 884 N PRO A 57 10.141 4.167 -3.486 1.00 0.00 N ATOM 885 CA PRO A 57 9.012 3.345 -3.977 1.00 0.00 C ATOM 886 C PRO A 57 8.719 2.212 -2.999 1.00 0.00 C ATOM 887 O PRO A 57 9.472 1.277 -2.848 1.00 0.00 O ATOM 888 CB PRO A 57 9.640 2.685 -5.202 1.00 0.00 C ATOM 889 CG PRO A 57 11.138 2.644 -4.921 1.00 0.00 C ATOM 890 CD PRO A 57 11.417 3.483 -3.680 1.00 0.00 C ATOM 0 HA PRO A 57 8.100 3.921 -4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.242 1.682 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.426 3.254 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.467 1.616 -4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.695 3.032 -5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.685 2.867 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.237 4.184 -3.837 1.00 0.00 H new ATOM 898 N ALA A 58 7.606 2.354 -2.335 1.00 0.00 N ATOM 899 CA ALA A 58 7.175 1.368 -1.315 1.00 0.00 C ATOM 900 C ALA A 58 5.674 1.500 -1.026 1.00 0.00 C ATOM 901 O ALA A 58 5.001 2.401 -1.493 1.00 0.00 O ATOM 902 CB ALA A 58 7.983 1.738 -0.073 1.00 0.00 C ATOM 0 H ALA A 58 6.963 3.135 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 58 7.339 0.340 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.730 1.059 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.047 1.659 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.749 2.761 0.222 1.00 0.00 H new ATOM 908 N ILE A 59 5.152 0.629 -0.227 1.00 0.00 N ATOM 909 CA ILE A 59 3.714 0.701 0.108 1.00 0.00 C ATOM 910 C ILE A 59 3.596 0.504 1.599 1.00 0.00 C ATOM 911 O ILE A 59 4.427 -0.149 2.201 1.00 0.00 O ATOM 912 CB ILE A 59 3.092 -0.472 -0.665 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.453 0.045 -1.955 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.025 -1.184 0.172 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.242 1.255 -2.448 1.00 0.00 C ATOM 0 H ILE A 59 5.662 -0.137 0.213 1.00 0.00 H new ATOM 0 HA ILE A 59 3.226 1.641 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 59 3.885 -1.183 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.450 -0.737 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.413 0.320 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.603 -2.009 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.477 -1.571 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.234 -0.479 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.794 1.631 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.222 2.037 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.274 0.963 -2.640 1.00 0.00 H new ATOM 927 N ALA A 60 2.584 0.983 2.232 1.00 0.00 N ATOM 928 CA ALA A 60 2.542 0.749 3.670 1.00 0.00 C ATOM 929 C ALA A 60 1.741 -0.497 3.775 1.00 0.00 C ATOM 930 O ALA A 60 1.006 -0.820 2.851 1.00 0.00 O ATOM 931 CB ALA A 60 1.766 1.965 4.234 1.00 0.00 C ATOM 0 H ALA A 60 1.809 1.510 1.829 1.00 0.00 H new ATOM 0 HA ALA A 60 3.495 0.649 4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.685 1.874 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.298 2.883 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.768 1.995 3.797 1.00 0.00 H new ATOM 937 N ILE A 61 1.854 -1.236 4.811 1.00 0.00 N ATOM 938 CA ILE A 61 1.121 -2.470 4.831 1.00 0.00 C ATOM 939 C ILE A 61 -0.059 -2.205 5.692 1.00 0.00 C ATOM 940 O ILE A 61 -0.003 -2.334 6.896 1.00 0.00 O ATOM 941 CB ILE A 61 2.085 -3.459 5.490 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.559 -3.124 5.167 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.826 -4.925 5.131 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.480 -4.315 5.527 1.00 0.00 C ATOM 0 H ILE A 61 2.420 -1.033 5.634 1.00 0.00 H new ATOM 0 HA ILE A 61 0.786 -2.850 3.866 1.00 0.00 H new ATOM 0 HB ILE A 61 1.896 -3.344 6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.660 -2.886 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.867 -2.238 5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.553 -5.558 5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.820 -5.204 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.921 -5.058 4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.513 -4.060 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.393 -4.534 6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.183 -5.192 4.951 1.00 0.00 H new ATOM 956 N ASN A 62 -1.105 -1.799 5.043 1.00 0.00 N ATOM 957 CA ASN A 62 -2.344 -1.450 5.726 1.00 0.00 C ATOM 958 C ASN A 62 -2.722 -2.624 6.579 1.00 0.00 C ATOM 959 O ASN A 62 -3.492 -3.477 6.198 1.00 0.00 O ATOM 960 CB ASN A 62 -3.348 -1.184 4.594 1.00 0.00 C ATOM 961 CG ASN A 62 -3.840 0.278 4.668 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.944 0.577 4.260 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.065 1.202 5.167 1.00 0.00 N ATOM 0 H ASN A 62 -1.140 -1.695 4.029 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.287 -0.579 6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.880 -1.372 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.193 -1.867 4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.388 2.169 5.213 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.137 0.958 5.511 1.00 0.00 H new ATOM 970 N GLY A 63 -2.132 -2.667 7.718 1.00 0.00 N ATOM 971 CA GLY A 63 -2.380 -3.788 8.637 1.00 0.00 C ATOM 972 C GLY A 63 -1.254 -3.803 9.661 1.00 0.00 C ATOM 973 O GLY A 63 -1.479 -3.971 10.841 1.00 0.00 O ATOM 0 H GLY A 63 -1.477 -1.964 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.345 -3.672 9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.413 -4.731 8.091 1.00 0.00 H new ATOM 977 N VAL A 64 -0.043 -3.620 9.210 1.00 0.00 N ATOM 978 CA VAL A 64 1.112 -3.614 10.146 1.00 0.00 C ATOM 979 C VAL A 64 1.960 -2.340 9.972 1.00 0.00 C ATOM 980 O VAL A 64 2.130 -1.585 10.908 1.00 0.00 O ATOM 981 CB VAL A 64 1.904 -4.874 9.791 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.960 -6.079 9.814 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.506 -4.730 8.392 1.00 0.00 C ATOM 0 H VAL A 64 0.195 -3.474 8.229 1.00 0.00 H new ATOM 0 HA VAL A 64 0.800 -3.614 11.190 1.00 0.00 H new ATOM 0 HB VAL A 64 2.707 -5.016 10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.516 -6.982 9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.529 -6.184 10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.162 -5.930 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.069 -5.630 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.706 -4.590 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.172 -3.867 8.370 1.00 0.00 H new ATOM 993 N VAL A 65 2.496 -2.076 8.800 1.00 0.00 N ATOM 994 CA VAL A 65 3.325 -0.833 8.648 1.00 0.00 C ATOM 995 C VAL A 65 3.557 -0.433 7.181 1.00 0.00 C ATOM 996 O VAL A 65 2.719 0.185 6.560 1.00 0.00 O ATOM 997 CB VAL A 65 4.662 -1.166 9.304 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.640 -0.008 9.088 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.454 -1.381 10.803 1.00 0.00 C ATOM 0 H VAL A 65 2.400 -2.650 7.963 1.00 0.00 H new ATOM 0 HA VAL A 65 2.813 0.014 9.104 1.00 0.00 H new ATOM 0 HB VAL A 65 5.068 -2.074 8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.595 -0.246 9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.789 0.148 8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.233 0.900 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.409 -1.619 11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.047 -0.473 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.758 -2.205 10.959 1.00 0.00 H new ATOM 1009 N ARG A 66 4.714 -0.748 6.647 1.00 0.00 N ATOM 1010 CA ARG A 66 5.050 -0.349 5.239 1.00 0.00 C ATOM 1011 C ARG A 66 6.318 -1.085 4.790 1.00 0.00 C ATOM 1012 O ARG A 66 7.063 -1.593 5.604 1.00 0.00 O ATOM 1013 CB ARG A 66 5.311 1.164 5.289 1.00 0.00 C ATOM 1014 CG ARG A 66 5.175 1.765 3.886 1.00 0.00 C ATOM 1015 CD ARG A 66 4.457 3.116 3.967 1.00 0.00 C ATOM 1016 NE ARG A 66 4.514 3.505 5.405 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.594 4.284 5.909 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.705 5.580 5.800 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.563 3.768 6.520 1.00 0.00 N ATOM 0 H ARG A 66 5.447 -1.269 7.129 1.00 0.00 H new ATOM 0 HA ARG A 66 4.252 -0.596 4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.605 1.641 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.310 1.357 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.161 1.893 3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.618 1.085 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.946 3.860 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.426 3.035 3.622 1.00 0.00 H new ATOM 0 HE ARG A 66 5.272 3.163 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.510 5.984 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.987 6.188 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.475 2.755 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.846 4.377 6.913 1.00 0.00 H new ATOM 1033 N PHE A 67 6.543 -1.196 3.502 1.00 0.00 N ATOM 1034 CA PHE A 67 7.737 -1.958 3.011 1.00 0.00 C ATOM 1035 C PHE A 67 8.308 -1.356 1.726 1.00 0.00 C ATOM 1036 O PHE A 67 7.766 -0.433 1.155 1.00 0.00 O ATOM 1037 CB PHE A 67 7.190 -3.352 2.692 1.00 0.00 C ATOM 1038 CG PHE A 67 6.882 -3.439 1.208 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.402 -2.315 0.521 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.087 -4.640 0.517 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.129 -2.393 -0.851 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.811 -4.716 -0.854 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.334 -3.595 -1.538 1.00 0.00 C ATOM 0 H PHE A 67 5.955 -0.794 2.772 1.00 0.00 H new ATOM 0 HA PHE A 67 8.538 -1.949 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.918 -4.114 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.289 -3.544 3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.242 -1.387 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.458 -5.508 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.760 -1.526 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.967 -5.644 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.124 -3.656 -2.596 1.00 0.00 H new ATOM 1053 N VAL A 68 9.412 -1.890 1.273 1.00 0.00 N ATOM 1054 CA VAL A 68 10.028 -1.390 0.011 1.00 0.00 C ATOM 1055 C VAL A 68 9.341 -2.032 -1.203 1.00 0.00 C ATOM 1056 O VAL A 68 9.369 -3.236 -1.373 1.00 0.00 O ATOM 1057 CB VAL A 68 11.506 -1.790 0.096 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.190 -1.486 -1.238 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.171 -0.976 1.207 1.00 0.00 C ATOM 0 H VAL A 68 9.914 -2.654 1.725 1.00 0.00 H new ATOM 0 HA VAL A 68 9.918 -0.312 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 68 11.594 -2.855 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.241 -1.769 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.704 -2.052 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.113 -0.420 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.223 -1.250 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.088 0.087 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.676 -1.183 2.156 1.00 0.00 H new ATOM 1069 N GLY A 69 8.739 -1.261 -2.070 1.00 0.00 N ATOM 1070 CA GLY A 69 8.099 -1.889 -3.263 1.00 0.00 C ATOM 1071 C GLY A 69 7.834 -0.841 -4.345 1.00 0.00 C ATOM 1072 O GLY A 69 6.947 -0.026 -4.224 1.00 0.00 O ATOM 0 H GLY A 69 8.663 -0.246 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.745 -2.673 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.162 -2.364 -2.972 1.00 0.00 H new ATOM 1076 N ALA A 70 8.586 -0.865 -5.414 1.00 0.00 N ATOM 1077 CA ALA A 70 8.344 0.123 -6.502 1.00 0.00 C ATOM 1078 C ALA A 70 7.314 -0.460 -7.467 1.00 0.00 C ATOM 1079 O ALA A 70 6.137 -0.170 -7.357 1.00 0.00 O ATOM 1080 CB ALA A 70 9.692 0.340 -7.183 1.00 0.00 C ATOM 0 H ALA A 70 9.350 -1.520 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 70 7.953 1.073 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.578 1.059 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.409 0.723 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.053 -0.607 -7.585 1.00 0.00 H new ATOM 1086 N PRO A 71 7.767 -1.306 -8.355 1.00 0.00 N ATOM 1087 CA PRO A 71 6.820 -1.955 -9.291 1.00 0.00 C ATOM 1088 C PRO A 71 6.212 -3.185 -8.612 1.00 0.00 C ATOM 1089 O PRO A 71 5.655 -4.046 -9.259 1.00 0.00 O ATOM 1090 CB PRO A 71 7.723 -2.426 -10.423 1.00 0.00 C ATOM 1091 CG PRO A 71 9.077 -2.609 -9.795 1.00 0.00 C ATOM 1092 CD PRO A 71 9.157 -1.701 -8.594 1.00 0.00 C ATOM 0 HA PRO A 71 6.010 -1.301 -9.613 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.360 -3.359 -10.855 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.758 -1.694 -11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.223 -3.648 -9.498 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.865 -2.368 -10.509 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.579 -2.216 -7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.790 -0.835 -8.790 1.00 0.00 H new ATOM 1100 N SER A 72 6.294 -3.253 -7.307 1.00 0.00 N ATOM 1101 CA SER A 72 5.727 -4.428 -6.583 1.00 0.00 C ATOM 1102 C SER A 72 4.411 -4.051 -5.897 1.00 0.00 C ATOM 1103 O SER A 72 4.289 -4.127 -4.691 1.00 0.00 O ATOM 1104 CB SER A 72 6.774 -4.812 -5.539 1.00 0.00 C ATOM 1105 OG SER A 72 7.559 -5.887 -6.039 1.00 0.00 O ATOM 0 H SER A 72 6.729 -2.546 -6.714 1.00 0.00 H new ATOM 0 HA SER A 72 5.510 -5.252 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.410 -3.956 -5.312 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.287 -5.103 -4.608 1.00 0.00 H new ATOM 0 HG SER A 72 8.234 -6.136 -5.374 1.00 0.00 H new ATOM 1111 N ARG A 73 3.429 -3.662 -6.658 1.00 0.00 N ATOM 1112 CA ARG A 73 2.115 -3.302 -6.049 1.00 0.00 C ATOM 1113 C ARG A 73 1.458 -4.562 -5.485 1.00 0.00 C ATOM 1114 O ARG A 73 0.756 -4.516 -4.497 1.00 0.00 O ATOM 1115 CB ARG A 73 1.286 -2.693 -7.181 1.00 0.00 C ATOM 1116 CG ARG A 73 2.029 -1.480 -7.738 1.00 0.00 C ATOM 1117 CD ARG A 73 1.551 -1.198 -9.162 1.00 0.00 C ATOM 1118 NE ARG A 73 2.726 -0.598 -9.851 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.925 -0.829 -11.118 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.110 -0.330 -12.008 1.00 0.00 N ATOM 1121 NH2 ARG A 73 3.936 -1.562 -11.498 1.00 0.00 N ATOM 0 H ARG A 73 3.476 -3.577 -7.673 1.00 0.00 H new ATOM 0 HA ARG A 73 2.212 -2.596 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.123 -3.430 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.304 -2.397 -6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.853 -0.610 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.103 -1.665 -7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.227 -2.113 -9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.701 -0.516 -9.165 1.00 0.00 H new ATOM 0 HE ARG A 73 3.375 -0.007 -9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.318 0.240 -11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.265 -0.511 -13.000 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.571 -1.955 -10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.091 -1.742 -12.490 1.00 0.00 H new ATOM 1135 N GLU A 74 1.688 -5.693 -6.105 1.00 0.00 N ATOM 1136 CA GLU A 74 1.091 -6.963 -5.602 1.00 0.00 C ATOM 1137 C GLU A 74 1.312 -7.071 -4.098 1.00 0.00 C ATOM 1138 O GLU A 74 0.417 -7.409 -3.347 1.00 0.00 O ATOM 1139 CB GLU A 74 1.821 -8.085 -6.342 1.00 0.00 C ATOM 1140 CG GLU A 74 0.798 -8.934 -7.101 1.00 0.00 C ATOM 1141 CD GLU A 74 0.191 -9.973 -6.156 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.940 -10.561 -5.392 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.013 -10.165 -6.214 1.00 0.00 O ATOM 0 H GLU A 74 2.266 -5.789 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 74 0.016 -7.013 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.550 -7.666 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.373 -8.704 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.013 -8.297 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.277 -9.431 -7.945 1.00 0.00 H new ATOM 1150 N GLU A 75 2.503 -6.786 -3.652 1.00 0.00 N ATOM 1151 CA GLU A 75 2.783 -6.867 -2.193 1.00 0.00 C ATOM 1152 C GLU A 75 1.642 -6.202 -1.429 1.00 0.00 C ATOM 1153 O GLU A 75 1.319 -6.569 -0.317 1.00 0.00 O ATOM 1154 CB GLU A 75 4.085 -6.089 -2.003 1.00 0.00 C ATOM 1155 CG GLU A 75 5.178 -7.025 -1.489 1.00 0.00 C ATOM 1156 CD GLU A 75 5.447 -6.728 -0.014 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.741 -5.902 0.542 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.355 -7.329 0.535 1.00 0.00 O ATOM 0 H GLU A 75 3.292 -6.501 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 75 2.869 -7.891 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.392 -5.641 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.932 -5.272 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.871 -8.063 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.090 -6.891 -2.071 1.00 0.00 H new ATOM 1165 N LEU A 76 1.011 -5.240 -2.038 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.134 -4.561 -1.377 1.00 0.00 C ATOM 1167 C LEU A 76 -1.322 -5.526 -1.319 1.00 0.00 C ATOM 1168 O LEU A 76 -2.032 -5.602 -0.338 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.465 -3.369 -2.277 1.00 0.00 C ATOM 1170 CG LEU A 76 0.622 -2.302 -2.144 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.001 -2.961 -2.197 1.00 0.00 C ATOM 1172 CD2 LEU A 76 0.491 -1.301 -3.293 1.00 0.00 C ATOM 0 H LEU A 76 1.240 -4.893 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 76 0.093 -4.246 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.542 -3.695 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.433 -2.951 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 76 0.507 -1.784 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.773 -2.197 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.095 -3.675 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.120 -3.481 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.265 -0.539 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.605 -1.822 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.490 -0.828 -3.254 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.528 -6.275 -2.370 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.661 -7.246 -2.392 1.00 0.00 C ATOM 1186 C PHE A 77 -2.511 -8.247 -1.239 1.00 0.00 C ATOM 1187 O PHE A 77 -3.461 -8.587 -0.560 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.545 -7.944 -3.753 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.767 -9.426 -3.588 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.685 -10.268 -3.320 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -4.056 -9.953 -3.693 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -1.893 -11.640 -3.155 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -4.265 -11.326 -3.531 1.00 0.00 C ATOM 1194 CZ PHE A 77 -3.183 -12.170 -3.261 1.00 0.00 C ATOM 0 H PHE A 77 -0.959 -6.256 -3.216 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.633 -6.770 -2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.278 -7.532 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.561 -7.760 -4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.689 -9.859 -3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.891 -9.300 -3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.057 -12.291 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.261 -11.734 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.343 -13.230 -3.134 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.307 -8.700 -1.018 1.00 0.00 N ATOM 1205 CA GLU A 78 -1.051 -9.660 0.093 1.00 0.00 C ATOM 1206 C GLU A 78 -1.047 -8.915 1.430 1.00 0.00 C ATOM 1207 O GLU A 78 -1.344 -9.476 2.464 1.00 0.00 O ATOM 1208 CB GLU A 78 0.307 -10.312 -0.219 1.00 0.00 C ATOM 1209 CG GLU A 78 0.500 -11.506 0.716 1.00 0.00 C ATOM 1210 CD GLU A 78 1.567 -11.168 1.752 1.00 0.00 C ATOM 1211 OE1 GLU A 78 1.915 -10.004 1.856 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.018 -12.078 2.427 1.00 0.00 O ATOM 0 H GLU A 78 -0.484 -8.444 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.823 -10.425 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.341 -10.636 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.113 -9.591 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.440 -11.750 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.797 -12.386 0.145 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.698 -7.660 1.423 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.676 -6.882 2.697 1.00 0.00 C ATOM 1221 C ALA A 79 -2.089 -6.649 3.229 1.00 0.00 C ATOM 1222 O ALA A 79 -2.341 -6.778 4.410 1.00 0.00 O ATOM 1223 CB ALA A 79 0.003 -5.560 2.326 1.00 0.00 C ATOM 0 H ALA A 79 -0.426 -7.137 0.591 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.148 -7.408 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.062 -4.922 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.008 -5.759 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.578 -5.057 1.552 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.017 -6.316 2.376 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.418 -6.090 2.850 1.00 0.00 C ATOM 1231 C ILE A 80 -4.950 -7.387 3.447 1.00 0.00 C ATOM 1232 O ILE A 80 -5.542 -7.399 4.511 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.202 -5.669 1.611 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.351 -4.146 1.609 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.585 -6.315 1.649 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -4.104 -3.509 0.991 1.00 0.00 C ATOM 0 H ILE A 80 -2.871 -6.190 1.374 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.495 -5.327 3.625 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.675 -5.988 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.237 -3.858 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.491 -3.783 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.150 -6.017 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.480 -7.400 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.114 -5.990 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.212 -2.424 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.226 -3.786 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.985 -3.862 -0.033 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.724 -8.474 2.758 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.164 -9.796 3.266 1.00 0.00 C ATOM 1250 C ASN A 81 -4.292 -10.202 4.438 1.00 0.00 C ATOM 1251 O ASN A 81 -4.695 -10.959 5.293 1.00 0.00 O ATOM 1252 CB ASN A 81 -5.061 -10.794 2.128 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.806 -11.638 2.323 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.723 -11.205 2.000 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.911 -12.838 2.832 1.00 0.00 N ATOM 0 H ASN A 81 -4.248 -8.497 1.856 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.195 -9.758 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.944 -11.432 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.020 -10.272 1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.078 -13.413 2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.826 -13.199 3.103 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.072 -9.749 4.521 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.218 -10.175 5.655 1.00 0.00 C ATOM 1264 C ASP A 82 -2.271 -9.096 6.702 1.00 0.00 C ATOM 1265 O ASP A 82 -1.613 -9.113 7.700 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.833 -10.175 5.088 1.00 0.00 C ATOM 1267 CG ASP A 82 0.182 -10.119 6.239 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.007 -9.330 7.133 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.185 -10.842 6.172 1.00 0.00 O ATOM 0 H ASP A 82 -2.636 -9.108 3.858 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.517 -11.132 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.672 -11.071 4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.698 -9.320 4.426 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.140 -8.189 6.445 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.344 -7.081 7.374 1.00 0.00 C ATOM 1276 C GLU A 83 -4.612 -7.470 8.133 1.00 0.00 C ATOM 1277 O GLU A 83 -4.563 -7.664 9.331 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.647 -5.830 6.524 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.947 -5.175 7.040 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.887 -5.031 8.565 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.949 -5.559 9.150 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.777 -4.417 9.119 1.00 0.00 O ATOM 0 H GLU A 83 -3.729 -8.169 5.613 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.498 -6.888 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.819 -5.123 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.754 -6.105 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.080 -4.197 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.808 -5.781 6.756 1.00 0.00 H new ATOM 1289 N MET A 84 -5.696 -7.684 7.443 1.00 0.00 N ATOM 1290 CA MET A 84 -6.932 -8.140 8.141 1.00 0.00 C ATOM 1291 C MET A 84 -6.759 -9.570 8.681 1.00 0.00 C ATOM 1292 O MET A 84 -7.530 -10.022 9.506 1.00 0.00 O ATOM 1293 CB MET A 84 -8.003 -8.118 7.064 1.00 0.00 C ATOM 1294 CG MET A 84 -7.813 -9.322 6.131 1.00 0.00 C ATOM 1295 SD MET A 84 -9.174 -9.388 4.940 1.00 0.00 S ATOM 1296 CE MET A 84 -8.558 -10.778 3.955 1.00 0.00 C ATOM 0 H MET A 84 -5.781 -7.565 6.434 1.00 0.00 H new ATOM 0 HA MET A 84 -7.177 -7.510 8.996 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.993 -8.150 7.519 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.943 -7.190 6.495 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.861 -9.242 5.606 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.780 -10.244 6.712 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.307 -11.060 3.216 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.639 -10.485 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.356 -11.626 4.609 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.767 -10.277 8.219 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.558 -11.668 8.713 1.00 0.00 C ATOM 1308 C GLU A 85 -4.113 -12.098 8.470 1.00 0.00 C ATOM 1309 O GLU A 85 -3.231 -11.507 9.073 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.521 -12.539 7.896 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.332 -14.008 8.289 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.651 -14.572 8.823 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.654 -13.886 8.712 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.637 -15.680 9.334 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.909 -13.006 7.682 1.00 0.00 O ATOM 0 H GLU A 85 -5.094 -9.955 7.524 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.745 -11.756 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.551 -12.232 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.333 -12.408 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.001 -14.586 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.554 -14.094 9.048 1.00 0.00 H new