USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 691 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 Single : A 12 THR OG1 : rot 160:sc= 1.26 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0481) USER MOD Single : A 24 ASN : amide:sc= 1.76 K(o=1.8,f=-5!) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0296) USER MOD Single : A 28 GLN : amide:sc= -0.02 K(o=-0.02,f=-1) USER MOD Single : A 29 TYR OH : rot 141:sc= 1.31 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.401 X(o=0.4,f=-0.0073) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -6:sc= -0.0735 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0944) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0471) USER MOD Single : A 45 THR OG1 : rot -82:sc= 0.274 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0275) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.828 USER MOD Single : A 61 GLN : amide:sc= -1.03 X(o=-1,f=-0.68) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -86:sc= 1.26 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0363) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.707 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0.72 (180deg=0.706) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.215 F(o=-0.76,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 3.967 -11.732 -2.267 1.00 0.00 N ATOM 50 CA GLU A 4 3.537 -12.469 -1.085 1.00 0.00 C ATOM 51 C GLU A 4 2.563 -11.600 -0.293 1.00 0.00 C ATOM 52 O GLU A 4 2.551 -10.379 -0.464 1.00 0.00 O ATOM 53 CB GLU A 4 4.765 -12.881 -0.261 1.00 0.00 C ATOM 54 CG GLU A 4 4.439 -13.844 0.890 1.00 0.00 C ATOM 55 CD GLU A 4 5.704 -14.423 1.517 1.00 0.00 C ATOM 56 OE1 GLU A 4 6.649 -13.633 1.731 1.00 0.00 O ATOM 57 OE2 GLU A 4 5.704 -15.647 1.771 1.00 0.00 O ATOM 0 HA GLU A 4 3.017 -13.386 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.494 -13.351 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.235 -11.986 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.863 -13.319 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.812 -14.655 0.519 1.00 0.00 H new ATOM 64 N ILE A 5 1.738 -12.238 0.543 1.00 0.00 N ATOM 65 CA ILE A 5 0.767 -11.575 1.400 1.00 0.00 C ATOM 66 C ILE A 5 1.476 -11.198 2.701 1.00 0.00 C ATOM 67 O ILE A 5 2.264 -11.990 3.217 1.00 0.00 O ATOM 68 CB ILE A 5 -0.461 -12.468 1.663 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.001 -13.155 0.393 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.604 -11.653 2.286 1.00 0.00 C ATOM 71 CD1 ILE A 5 -0.468 -14.582 0.213 1.00 0.00 C ATOM 0 H ILE A 5 1.732 -13.253 0.640 1.00 0.00 H new ATOM 0 HA ILE A 5 0.387 -10.679 0.909 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.115 -13.241 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.090 -13.182 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.731 -12.559 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.460 -12.304 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.272 -11.225 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.892 -10.851 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.883 -15.013 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.619 -14.558 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.761 -15.190 1.069 1.00 0.00 H new ATOM 83 N ILE A 6 1.211 -10.002 3.223 1.00 0.00 N ATOM 84 CA ILE A 6 1.785 -9.509 4.466 1.00 0.00 C ATOM 85 C ILE A 6 0.778 -9.643 5.611 1.00 0.00 C ATOM 86 O ILE A 6 -0.431 -9.699 5.393 1.00 0.00 O ATOM 87 CB ILE A 6 2.254 -8.056 4.292 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.136 -7.133 3.783 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.459 -7.998 3.346 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.350 -5.697 4.256 1.00 0.00 C ATOM 0 H ILE A 6 0.577 -9.337 2.781 1.00 0.00 H new ATOM 0 HA ILE A 6 2.655 -10.114 4.722 1.00 0.00 H new ATOM 0 HB ILE A 6 2.545 -7.694 5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.106 -7.160 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.171 -7.496 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.782 -6.963 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.276 -8.589 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.177 -8.401 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.544 -5.066 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.355 -5.670 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.304 -5.328 3.880 1.00 0.00 H new ATOM 102 N ASP A 7 1.285 -9.681 6.845 1.00 0.00 N ATOM 103 CA ASP A 7 0.471 -9.768 8.043 1.00 0.00 C ATOM 104 C ASP A 7 -0.123 -8.400 8.351 1.00 0.00 C ATOM 105 O ASP A 7 0.608 -7.421 8.493 1.00 0.00 O ATOM 106 CB ASP A 7 1.322 -10.212 9.238 1.00 0.00 C ATOM 107 CG ASP A 7 1.951 -11.584 9.022 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.058 -11.609 8.441 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.312 -12.575 9.434 1.00 0.00 O ATOM 0 H ASP A 7 2.287 -9.651 7.035 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.321 -10.497 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.108 -9.478 9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.702 -10.236 10.134 1.00 0.00 H new ATOM 114 N ILE A 8 -1.443 -8.325 8.486 1.00 0.00 N ATOM 115 CA ILE A 8 -2.098 -7.176 9.063 1.00 0.00 C ATOM 116 C ILE A 8 -1.666 -7.094 10.535 1.00 0.00 C ATOM 117 O ILE A 8 -1.567 -8.115 11.214 1.00 0.00 O ATOM 118 CB ILE A 8 -3.618 -7.330 8.879 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.171 -8.710 9.294 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.998 -7.000 7.429 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.693 -8.702 9.469 1.00 0.00 C ATOM 0 H ILE A 8 -2.082 -9.065 8.195 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.818 -6.242 8.577 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.086 -6.620 9.561 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.899 -9.449 8.540 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.702 -9.020 10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.075 -7.110 7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.708 -5.974 7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.481 -7.681 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.031 -9.696 9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.967 -7.984 10.242 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.166 -8.420 8.528 1.00 0.00 H new ATOM 133 N GLY A 9 -1.340 -5.893 11.015 1.00 0.00 N ATOM 134 CA GLY A 9 -0.715 -5.677 12.307 1.00 0.00 C ATOM 135 C GLY A 9 -0.172 -4.249 12.326 1.00 0.00 C ATOM 136 O GLY A 9 -0.396 -3.521 11.356 1.00 0.00 O ATOM 0 H GLY A 9 -1.510 -5.029 10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.437 -5.823 13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.090 -6.395 12.468 1.00 0.00 H new ATOM 140 N PRO A 10 0.544 -3.837 13.385 1.00 0.00 N ATOM 141 CA PRO A 10 0.937 -2.451 13.607 1.00 0.00 C ATOM 142 C PRO A 10 1.668 -1.832 12.411 1.00 0.00 C ATOM 143 O PRO A 10 1.331 -0.726 11.998 1.00 0.00 O ATOM 144 CB PRO A 10 1.772 -2.444 14.894 1.00 0.00 C ATOM 145 CG PRO A 10 2.154 -3.909 15.113 1.00 0.00 C ATOM 146 CD PRO A 10 0.988 -4.672 14.487 1.00 0.00 C ATOM 0 HA PRO A 10 0.058 -1.817 13.717 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.656 -1.815 14.790 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.200 -2.053 15.736 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.101 -4.154 14.631 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.265 -4.142 16.172 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.302 -5.655 14.136 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.187 -4.832 15.209 1.00 0.00 H new ATOM 154 N PHE A 11 2.647 -2.538 11.839 1.00 0.00 N ATOM 155 CA PHE A 11 3.373 -2.098 10.649 1.00 0.00 C ATOM 156 C PHE A 11 2.399 -1.720 9.522 1.00 0.00 C ATOM 157 O PHE A 11 2.418 -0.625 8.961 1.00 0.00 O ATOM 158 CB PHE A 11 4.313 -3.233 10.207 1.00 0.00 C ATOM 159 CG PHE A 11 5.194 -2.904 9.018 1.00 0.00 C ATOM 160 CD1 PHE A 11 4.701 -3.048 7.706 1.00 0.00 C ATOM 161 CD2 PHE A 11 6.521 -2.481 9.222 1.00 0.00 C ATOM 162 CE1 PHE A 11 5.515 -2.721 6.608 1.00 0.00 C ATOM 163 CE2 PHE A 11 7.346 -2.191 8.121 1.00 0.00 C ATOM 164 CZ PHE A 11 6.839 -2.300 6.816 1.00 0.00 C ATOM 0 H PHE A 11 2.960 -3.441 12.195 1.00 0.00 H new ATOM 0 HA PHE A 11 3.957 -1.207 10.881 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.950 -3.506 11.048 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.712 -4.109 9.964 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.696 -3.410 7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.906 -2.379 10.226 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.123 -2.793 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.369 -1.884 8.279 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.468 -2.060 5.971 1.00 0.00 H new ATOM 174 N THR A 12 1.531 -2.666 9.187 1.00 0.00 N ATOM 175 CA THR A 12 0.604 -2.567 8.079 1.00 0.00 C ATOM 176 C THR A 12 -0.430 -1.475 8.352 1.00 0.00 C ATOM 177 O THR A 12 -0.734 -0.661 7.479 1.00 0.00 O ATOM 178 CB THR A 12 0.027 -3.964 7.872 1.00 0.00 C ATOM 179 OG1 THR A 12 1.129 -4.840 7.736 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.883 -4.054 6.646 1.00 0.00 C ATOM 0 H THR A 12 1.454 -3.546 9.696 1.00 0.00 H new ATOM 0 HA THR A 12 1.081 -2.257 7.149 1.00 0.00 H new ATOM 0 HB THR A 12 -0.601 -4.229 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.841 -5.759 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.264 -5.071 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.718 -3.363 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.316 -3.793 5.752 1.00 0.00 H new ATOM 188 N GLN A 13 -0.935 -1.419 9.587 1.00 0.00 N ATOM 189 CA GLN A 13 -1.808 -0.362 10.042 1.00 0.00 C ATOM 190 C GLN A 13 -1.126 0.993 9.867 1.00 0.00 C ATOM 191 O GLN A 13 -1.730 1.902 9.310 1.00 0.00 O ATOM 192 CB GLN A 13 -2.193 -0.619 11.499 1.00 0.00 C ATOM 193 CG GLN A 13 -3.168 -1.794 11.628 1.00 0.00 C ATOM 194 CD GLN A 13 -3.370 -2.171 13.089 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.769 -3.123 13.578 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.209 -1.427 13.802 1.00 0.00 N ATOM 0 H GLN A 13 -0.739 -2.122 10.300 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.720 -0.348 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.295 -0.825 12.082 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.647 0.278 11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.126 -1.528 11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.785 -2.652 11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.693 -0.643 13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.369 -1.640 14.786 1.00 0.00 H new ATOM 205 N ASN A 14 0.126 1.132 10.314 1.00 0.00 N ATOM 206 CA ASN A 14 0.896 2.360 10.158 1.00 0.00 C ATOM 207 C ASN A 14 0.938 2.792 8.696 1.00 0.00 C ATOM 208 O ASN A 14 0.684 3.955 8.391 1.00 0.00 O ATOM 209 CB ASN A 14 2.318 2.194 10.707 1.00 0.00 C ATOM 210 CG ASN A 14 3.140 3.459 10.486 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.836 3.586 9.485 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.073 4.409 11.414 1.00 0.00 N ATOM 0 H ASN A 14 0.632 0.389 10.796 1.00 0.00 H new ATOM 0 HA ASN A 14 0.398 3.139 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.276 1.965 11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.804 1.350 10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.609 5.270 11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.486 4.277 12.237 1.00 0.00 H new ATOM 219 N LEU A 15 1.239 1.867 7.783 1.00 0.00 N ATOM 220 CA LEU A 15 1.258 2.216 6.368 1.00 0.00 C ATOM 221 C LEU A 15 -0.124 2.603 5.851 1.00 0.00 C ATOM 222 O LEU A 15 -0.243 3.564 5.093 1.00 0.00 O ATOM 223 CB LEU A 15 1.881 1.117 5.512 1.00 0.00 C ATOM 224 CG LEU A 15 3.409 1.076 5.642 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.903 -0.024 4.704 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.088 2.400 5.242 1.00 0.00 C ATOM 0 H LEU A 15 1.467 0.895 7.993 1.00 0.00 H new ATOM 0 HA LEU A 15 1.895 3.096 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.467 0.152 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.611 1.275 4.468 1.00 0.00 H new ATOM 0 HG LEU A 15 3.662 0.895 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.989 -0.091 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.464 -0.977 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.608 0.211 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.168 2.304 5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.852 2.630 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.725 3.203 5.883 1.00 0.00 H new ATOM 238 N GLY A 16 -1.170 1.886 6.263 1.00 0.00 N ATOM 239 CA GLY A 16 -2.537 2.297 5.965 1.00 0.00 C ATOM 240 C GLY A 16 -2.767 3.748 6.391 1.00 0.00 C ATOM 241 O GLY A 16 -3.208 4.588 5.607 1.00 0.00 O ATOM 0 H GLY A 16 -1.095 1.023 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.730 2.191 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.240 1.644 6.483 1.00 0.00 H new ATOM 245 N LYS A 17 -2.422 4.038 7.644 1.00 0.00 N ATOM 246 CA LYS A 17 -2.479 5.365 8.221 1.00 0.00 C ATOM 247 C LYS A 17 -1.755 6.362 7.321 1.00 0.00 C ATOM 248 O LYS A 17 -2.342 7.359 6.919 1.00 0.00 O ATOM 249 CB LYS A 17 -1.872 5.355 9.638 1.00 0.00 C ATOM 250 CG LYS A 17 -2.587 6.288 10.621 1.00 0.00 C ATOM 251 CD LYS A 17 -2.787 7.674 10.004 1.00 0.00 C ATOM 252 CE LYS A 17 -3.318 8.702 11.008 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.312 9.054 12.026 1.00 0.00 N ATOM 0 H LYS A 17 -2.087 3.331 8.298 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.521 5.674 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.902 4.338 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.822 5.642 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.553 5.864 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.004 6.373 11.538 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.838 8.026 9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.482 7.597 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.625 9.602 10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.206 8.303 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.655 9.858 12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.149 8.238 12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.421 9.315 11.558 1.00 0.00 H new ATOM 267 N PHE A 18 -0.488 6.093 7.005 1.00 0.00 N ATOM 268 CA PHE A 18 0.319 6.918 6.114 1.00 0.00 C ATOM 269 C PHE A 18 -0.424 7.173 4.804 1.00 0.00 C ATOM 270 O PHE A 18 -0.501 8.310 4.348 1.00 0.00 O ATOM 271 CB PHE A 18 1.695 6.285 5.847 1.00 0.00 C ATOM 272 CG PHE A 18 2.386 6.853 4.619 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.830 8.189 4.633 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.265 6.177 3.387 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.095 8.859 3.426 1.00 0.00 C ATOM 276 CE2 PHE A 18 2.511 6.854 2.180 1.00 0.00 C ATOM 277 CZ PHE A 18 2.893 8.206 2.198 1.00 0.00 C ATOM 0 H PHE A 18 0.012 5.282 7.368 1.00 0.00 H new ATOM 0 HA PHE A 18 0.490 7.874 6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.333 6.437 6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.575 5.209 5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.967 8.701 5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.982 5.135 3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.454 9.877 3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.406 6.335 1.239 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.031 8.742 1.271 1.00 0.00 H new ATOM 287 N ALA A 19 -0.978 6.118 4.207 1.00 0.00 N ATOM 288 CA ALA A 19 -1.699 6.234 2.951 1.00 0.00 C ATOM 289 C ALA A 19 -2.809 7.269 3.093 1.00 0.00 C ATOM 290 O ALA A 19 -2.899 8.206 2.299 1.00 0.00 O ATOM 291 CB ALA A 19 -2.238 4.871 2.508 1.00 0.00 C ATOM 0 H ALA A 19 -0.938 5.170 4.580 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.018 6.574 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.774 4.981 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.408 4.177 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.916 4.483 3.268 1.00 0.00 H new ATOM 297 N VAL A 20 -3.624 7.127 4.139 1.00 0.00 N ATOM 298 CA VAL A 20 -4.695 8.082 4.398 1.00 0.00 C ATOM 299 C VAL A 20 -4.129 9.469 4.704 1.00 0.00 C ATOM 300 O VAL A 20 -4.676 10.461 4.243 1.00 0.00 O ATOM 301 CB VAL A 20 -5.627 7.585 5.510 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.727 8.614 5.809 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.291 6.276 5.074 1.00 0.00 C ATOM 0 H VAL A 20 -3.562 6.365 4.814 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.297 8.169 3.493 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.029 7.432 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.373 8.236 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.271 9.551 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.318 8.786 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.953 5.923 5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.869 6.446 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.524 5.526 4.881 1.00 0.00 H new ATOM 313 N ASP A 21 -3.047 9.561 5.476 1.00 0.00 N ATOM 314 CA ASP A 21 -2.435 10.824 5.850 1.00 0.00 C ATOM 315 C ASP A 21 -2.002 11.588 4.599 1.00 0.00 C ATOM 316 O ASP A 21 -2.308 12.765 4.449 1.00 0.00 O ATOM 317 CB ASP A 21 -1.260 10.570 6.801 1.00 0.00 C ATOM 318 CG ASP A 21 -0.518 11.864 7.116 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.013 12.598 7.999 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.525 12.095 6.466 1.00 0.00 O ATOM 0 H ASP A 21 -2.569 8.747 5.861 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.161 11.443 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.626 10.123 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.573 9.853 6.351 1.00 0.00 H new ATOM 325 N GLU A 22 -1.311 10.904 3.690 1.00 0.00 N ATOM 326 CA GLU A 22 -0.865 11.455 2.423 1.00 0.00 C ATOM 327 C GLU A 22 -2.076 11.845 1.576 1.00 0.00 C ATOM 328 O GLU A 22 -2.149 12.956 1.052 1.00 0.00 O ATOM 329 CB GLU A 22 0.018 10.414 1.717 1.00 0.00 C ATOM 330 CG GLU A 22 0.693 10.961 0.452 1.00 0.00 C ATOM 331 CD GLU A 22 1.689 12.072 0.769 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.778 11.722 1.273 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.343 13.244 0.507 1.00 0.00 O ATOM 0 H GLU A 22 -1.042 9.929 3.822 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.274 12.357 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.784 10.066 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.590 9.549 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.207 10.150 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.068 11.341 -0.230 1.00 0.00 H new ATOM 340 N GLU A 23 -3.040 10.929 1.446 1.00 0.00 N ATOM 341 CA GLU A 23 -4.253 11.176 0.686 1.00 0.00 C ATOM 342 C GLU A 23 -4.937 12.444 1.206 1.00 0.00 C ATOM 343 O GLU A 23 -5.315 13.304 0.417 1.00 0.00 O ATOM 344 CB GLU A 23 -5.157 9.939 0.760 1.00 0.00 C ATOM 345 CG GLU A 23 -6.238 9.923 -0.325 1.00 0.00 C ATOM 346 CD GLU A 23 -7.279 11.022 -0.155 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.843 11.100 0.956 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.489 11.772 -1.131 1.00 0.00 O ATOM 0 H GLU A 23 -2.995 10.001 1.866 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.021 11.348 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.545 9.042 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.633 9.901 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.765 10.028 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.738 8.954 -0.316 1.00 0.00 H new ATOM 355 N ASN A 24 -5.065 12.566 2.527 1.00 0.00 N ATOM 356 CA ASN A 24 -5.654 13.693 3.216 1.00 0.00 C ATOM 357 C ASN A 24 -4.829 14.953 2.963 1.00 0.00 C ATOM 358 O ASN A 24 -5.391 16.012 2.694 1.00 0.00 O ATOM 359 CB ASN A 24 -5.710 13.388 4.719 1.00 0.00 C ATOM 360 CG ASN A 24 -6.805 12.410 5.143 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.531 11.846 4.330 1.00 0.00 O ATOM 362 ND2 ASN A 24 -6.973 12.227 6.450 1.00 0.00 N ATOM 0 H ASN A 24 -4.742 11.842 3.169 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.664 13.862 2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.745 12.985 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.852 14.324 5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.713 11.611 6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.362 12.702 7.114 1.00 0.00 H new ATOM 369 N LYS A 25 -3.499 14.847 3.060 1.00 0.00 N ATOM 370 CA LYS A 25 -2.583 15.955 2.820 1.00 0.00 C ATOM 371 C LYS A 25 -2.817 16.535 1.424 1.00 0.00 C ATOM 372 O LYS A 25 -2.881 17.752 1.260 1.00 0.00 O ATOM 373 CB LYS A 25 -1.135 15.474 3.010 1.00 0.00 C ATOM 374 CG LYS A 25 -0.107 16.610 2.964 1.00 0.00 C ATOM 375 CD LYS A 25 1.304 16.010 3.064 1.00 0.00 C ATOM 376 CE LYS A 25 2.397 17.084 2.998 1.00 0.00 C ATOM 377 NZ LYS A 25 2.363 17.977 4.169 1.00 0.00 N ATOM 0 H LYS A 25 -3.028 13.977 3.310 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.767 16.754 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.054 14.958 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.897 14.746 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.211 17.175 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.279 17.307 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.396 15.457 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.451 15.295 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.374 16.604 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.273 17.673 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.168 18.634 4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.475 18.518 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.422 17.411 5.039 1.00 0.00 H new ATOM 391 N ILE A 26 -2.934 15.666 0.415 1.00 0.00 N ATOM 392 CA ILE A 26 -3.225 16.086 -0.951 1.00 0.00 C ATOM 393 C ILE A 26 -4.663 16.622 -1.031 1.00 0.00 C ATOM 394 O ILE A 26 -4.904 17.678 -1.612 1.00 0.00 O ATOM 395 CB ILE A 26 -2.962 14.921 -1.925 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.479 14.498 -1.871 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.322 15.335 -3.361 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.220 13.159 -2.567 1.00 0.00 C ATOM 0 H ILE A 26 -2.829 14.657 0.526 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.563 16.900 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.586 14.079 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.868 15.270 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.163 14.429 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.131 14.503 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.377 15.607 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.714 16.190 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.161 12.912 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.807 12.378 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.508 13.232 -3.616 1.00 0.00 H new ATOM 410 N GLY A 27 -5.621 15.884 -0.467 1.00 0.00 N ATOM 411 CA GLY A 27 -7.014 16.277 -0.336 1.00 0.00 C ATOM 412 C GLY A 27 -7.883 15.813 -1.504 1.00 0.00 C ATOM 413 O GLY A 27 -9.012 16.285 -1.636 1.00 0.00 O ATOM 0 H GLY A 27 -5.434 14.961 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.415 15.868 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.073 17.363 -0.257 1.00 0.00 H new ATOM 417 N GLN A 28 -7.399 14.878 -2.332 1.00 0.00 N ATOM 418 CA GLN A 28 -8.138 14.367 -3.488 1.00 0.00 C ATOM 419 C GLN A 28 -9.553 13.926 -3.098 1.00 0.00 C ATOM 420 O GLN A 28 -10.517 14.253 -3.787 1.00 0.00 O ATOM 421 CB GLN A 28 -7.362 13.216 -4.153 1.00 0.00 C ATOM 422 CG GLN A 28 -6.336 13.714 -5.179 1.00 0.00 C ATOM 423 CD GLN A 28 -6.969 14.170 -6.494 1.00 0.00 C ATOM 424 OE1 GLN A 28 -8.183 14.149 -6.662 1.00 0.00 O ATOM 425 NE2 GLN A 28 -6.147 14.582 -7.454 1.00 0.00 N ATOM 0 H GLN A 28 -6.479 14.454 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.239 15.177 -4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.851 12.636 -3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.066 12.544 -4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.774 14.542 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.622 12.917 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.140 14.592 -7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.524 14.889 -8.351 1.00 0.00 H new ATOM 434 N TYR A 29 -9.677 13.207 -1.981 1.00 0.00 N ATOM 435 CA TYR A 29 -10.960 12.804 -1.410 1.00 0.00 C ATOM 436 C TYR A 29 -11.180 13.509 -0.065 1.00 0.00 C ATOM 437 O TYR A 29 -11.726 12.937 0.877 1.00 0.00 O ATOM 438 CB TYR A 29 -11.017 11.278 -1.274 1.00 0.00 C ATOM 439 CG TYR A 29 -11.214 10.500 -2.563 1.00 0.00 C ATOM 440 CD1 TYR A 29 -10.130 10.275 -3.432 1.00 0.00 C ATOM 441 CD2 TYR A 29 -12.455 9.889 -2.829 1.00 0.00 C ATOM 442 CE1 TYR A 29 -10.285 9.435 -4.549 1.00 0.00 C ATOM 443 CE2 TYR A 29 -12.604 9.034 -3.935 1.00 0.00 C ATOM 444 CZ TYR A 29 -11.509 8.788 -4.782 1.00 0.00 C ATOM 445 OH TYR A 29 -11.602 7.854 -5.770 1.00 0.00 O ATOM 0 H TYR A 29 -8.875 12.884 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.769 13.105 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.092 10.940 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.829 11.024 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.178 10.748 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -13.297 10.078 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.460 9.287 -5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.557 8.567 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.163 7.111 -5.466 1.00 0.00 H new ATOM 455 N GLY A 30 -10.769 14.772 0.024 1.00 0.00 N ATOM 456 CA GLY A 30 -10.860 15.541 1.254 1.00 0.00 C ATOM 457 C GLY A 30 -10.067 14.863 2.372 1.00 0.00 C ATOM 458 O GLY A 30 -8.983 14.342 2.129 1.00 0.00 O ATOM 0 H GLY A 30 -10.364 15.288 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.478 16.548 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.904 15.641 1.550 1.00 0.00 H new ATOM 462 N ARG A 31 -10.605 14.889 3.595 1.00 0.00 N ATOM 463 CA ARG A 31 -9.991 14.318 4.784 1.00 0.00 C ATOM 464 C ARG A 31 -10.809 13.112 5.247 1.00 0.00 C ATOM 465 O ARG A 31 -11.951 13.288 5.669 1.00 0.00 O ATOM 466 CB ARG A 31 -9.974 15.377 5.891 1.00 0.00 C ATOM 467 CG ARG A 31 -9.019 16.538 5.581 1.00 0.00 C ATOM 468 CD ARG A 31 -9.079 17.591 6.693 1.00 0.00 C ATOM 469 NE ARG A 31 -8.667 17.032 7.988 1.00 0.00 N ATOM 470 CZ ARG A 31 -8.842 17.629 9.175 1.00 0.00 C ATOM 471 NH1 ARG A 31 -9.387 18.848 9.246 1.00 0.00 N ATOM 472 NH2 ARG A 31 -8.470 16.997 10.293 1.00 0.00 N ATOM 0 H ARG A 31 -11.508 15.323 3.784 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.973 14.000 4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.982 15.768 6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.680 14.910 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.000 16.163 5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.286 16.992 4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.433 18.430 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.093 17.982 6.771 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.213 16.119 7.983 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.673 19.329 8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.517 19.296 10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.056 16.066 10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.600 17.445 11.200 1.00 0.00 H new ATOM 486 N LEU A 32 -10.239 11.905 5.202 1.00 0.00 N ATOM 487 CA LEU A 32 -10.871 10.700 5.726 1.00 0.00 C ATOM 488 C LEU A 32 -10.262 10.302 7.067 1.00 0.00 C ATOM 489 O LEU A 32 -9.091 10.571 7.337 1.00 0.00 O ATOM 490 CB LEU A 32 -10.756 9.544 4.730 1.00 0.00 C ATOM 491 CG LEU A 32 -11.415 9.889 3.387 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.351 10.251 2.352 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.239 8.701 2.884 1.00 0.00 C ATOM 0 H LEU A 32 -9.318 11.739 4.797 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.927 10.921 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.705 9.304 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.226 8.654 5.149 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.073 10.745 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.833 10.493 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.782 11.113 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.678 9.405 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.702 8.957 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.588 7.837 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.015 8.462 3.612 1.00 0.00 H new ATOM 505 N THR A 33 -11.064 9.629 7.897 1.00 0.00 N ATOM 506 CA THR A 33 -10.642 9.102 9.183 1.00 0.00 C ATOM 507 C THR A 33 -10.189 7.662 8.964 1.00 0.00 C ATOM 508 O THR A 33 -11.025 6.764 8.855 1.00 0.00 O ATOM 509 CB THR A 33 -11.809 9.195 10.177 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.218 10.544 10.280 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.411 8.710 11.574 1.00 0.00 C ATOM 0 H THR A 33 -12.042 9.435 7.683 1.00 0.00 H new ATOM 0 HA THR A 33 -9.814 9.674 9.602 1.00 0.00 H new ATOM 0 HB THR A 33 -12.613 8.560 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.964 10.612 10.912 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.266 8.793 12.245 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.091 7.669 11.520 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.592 9.322 11.952 1.00 0.00 H new ATOM 519 N PHE A 34 -8.877 7.434 8.874 1.00 0.00 N ATOM 520 CA PHE A 34 -8.339 6.083 8.791 1.00 0.00 C ATOM 521 C PHE A 34 -8.937 5.210 9.886 1.00 0.00 C ATOM 522 O PHE A 34 -8.980 5.610 11.047 1.00 0.00 O ATOM 523 CB PHE A 34 -6.819 6.095 8.916 1.00 0.00 C ATOM 524 CG PHE A 34 -6.193 4.722 9.042 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.161 3.854 7.936 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.663 4.300 10.274 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.494 2.624 8.031 1.00 0.00 C ATOM 528 CE2 PHE A 34 -4.959 3.087 10.357 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.850 2.263 9.226 1.00 0.00 C ATOM 0 H PHE A 34 -8.171 8.170 8.857 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.605 5.672 7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.398 6.594 8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.542 6.689 9.787 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.650 4.134 7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.797 4.908 11.156 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.475 1.954 7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.503 2.789 11.289 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.272 1.352 9.274 1.00 0.00 H new ATOM 539 N ASN A 35 -9.422 4.037 9.488 1.00 0.00 N ATOM 540 CA ASN A 35 -9.963 3.041 10.399 1.00 0.00 C ATOM 541 C ASN A 35 -8.902 1.961 10.605 1.00 0.00 C ATOM 542 O ASN A 35 -8.426 1.785 11.723 1.00 0.00 O ATOM 543 CB ASN A 35 -11.283 2.459 9.867 1.00 0.00 C ATOM 544 CG ASN A 35 -12.515 3.325 10.127 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.562 2.807 10.498 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.451 4.636 9.917 1.00 0.00 N ATOM 0 H ASN A 35 -9.449 3.751 8.509 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.201 3.500 11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.187 2.301 8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.442 1.481 10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.276 5.217 10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.577 5.061 9.608 1.00 0.00 H new ATOM 553 N LYS A 36 -8.536 1.237 9.540 1.00 0.00 N ATOM 554 CA LYS A 36 -7.572 0.138 9.590 1.00 0.00 C ATOM 555 C LYS A 36 -7.248 -0.311 8.161 1.00 0.00 C ATOM 556 O LYS A 36 -7.590 0.390 7.213 1.00 0.00 O ATOM 557 CB LYS A 36 -8.072 -1.005 10.497 1.00 0.00 C ATOM 558 CG LYS A 36 -9.444 -1.567 10.105 1.00 0.00 C ATOM 559 CD LYS A 36 -9.929 -2.496 11.224 1.00 0.00 C ATOM 560 CE LYS A 36 -11.311 -3.073 10.908 1.00 0.00 C ATOM 561 NZ LYS A 36 -11.824 -3.866 12.040 1.00 0.00 N ATOM 0 H LYS A 36 -8.909 1.404 8.605 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.642 0.478 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.342 -1.814 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.120 -0.643 11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.156 -0.756 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.375 -2.112 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.216 -3.309 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.968 -1.946 12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.005 -2.263 10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.253 -3.699 10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.762 -4.246 11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.172 -4.652 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.900 -3.260 12.882 1.00 0.00 H new ATOM 575 N VAL A 37 -6.604 -1.468 7.990 1.00 0.00 N ATOM 576 CA VAL A 37 -6.360 -2.108 6.702 1.00 0.00 C ATOM 577 C VAL A 37 -6.899 -3.528 6.835 1.00 0.00 C ATOM 578 O VAL A 37 -6.800 -4.093 7.926 1.00 0.00 O ATOM 579 CB VAL A 37 -4.850 -2.128 6.400 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.560 -2.702 5.008 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.244 -0.724 6.463 1.00 0.00 C ATOM 0 H VAL A 37 -6.226 -2.001 8.774 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.845 -1.574 5.885 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.399 -2.762 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.485 -2.700 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.936 -3.724 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.053 -2.091 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.177 -0.778 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.733 -0.083 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.389 -0.309 7.460 1.00 0.00 H new ATOM 591 N ILE A 38 -7.467 -4.098 5.768 1.00 0.00 N ATOM 592 CA ILE A 38 -7.906 -5.489 5.763 1.00 0.00 C ATOM 593 C ILE A 38 -7.451 -6.187 4.482 1.00 0.00 C ATOM 594 O ILE A 38 -6.999 -5.542 3.536 1.00 0.00 O ATOM 595 CB ILE A 38 -9.418 -5.616 6.057 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.344 -4.828 5.116 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.715 -5.167 7.496 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.488 -5.466 3.733 1.00 0.00 C ATOM 0 H ILE A 38 -7.633 -3.607 4.889 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.422 -6.017 6.584 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.636 -6.672 5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.330 -4.744 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.958 -3.815 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.783 -5.260 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.161 -5.794 8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.412 -4.128 7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.155 -4.859 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.510 -5.525 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.903 -6.469 3.836 1.00 0.00 H new ATOM 610 N ARG A 39 -7.521 -7.522 4.489 1.00 0.00 N ATOM 611 CA ARG A 39 -7.053 -8.370 3.400 1.00 0.00 C ATOM 612 C ARG A 39 -7.860 -8.128 2.114 1.00 0.00 C ATOM 613 O ARG A 39 -9.041 -7.797 2.198 1.00 0.00 O ATOM 614 CB ARG A 39 -7.077 -9.847 3.834 1.00 0.00 C ATOM 615 CG ARG A 39 -8.373 -10.287 4.531 1.00 0.00 C ATOM 616 CD ARG A 39 -8.386 -11.810 4.687 1.00 0.00 C ATOM 617 NE ARG A 39 -9.449 -12.241 5.603 1.00 0.00 N ATOM 618 CZ ARG A 39 -9.692 -13.515 5.940 1.00 0.00 C ATOM 619 NH1 ARG A 39 -9.001 -14.507 5.369 1.00 0.00 N ATOM 620 NH2 ARG A 39 -10.626 -13.791 6.855 1.00 0.00 N ATOM 0 H ARG A 39 -7.913 -8.049 5.269 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.021 -8.106 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.922 -10.473 2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.239 -10.028 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.451 -9.811 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.237 -9.964 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.531 -12.277 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.420 -12.148 5.062 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.044 -11.520 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.285 -14.296 4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.190 -15.475 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.150 -13.034 7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.815 -14.759 7.115 1.00 0.00 H new ATOM 634 N PRO A 40 -7.272 -8.329 0.921 1.00 0.00 N ATOM 635 CA PRO A 40 -5.907 -8.782 0.685 1.00 0.00 C ATOM 636 C PRO A 40 -4.891 -7.668 0.948 1.00 0.00 C ATOM 637 O PRO A 40 -5.201 -6.481 0.825 1.00 0.00 O ATOM 638 CB PRO A 40 -5.879 -9.225 -0.782 1.00 0.00 C ATOM 639 CG PRO A 40 -6.922 -8.319 -1.433 1.00 0.00 C ATOM 640 CD PRO A 40 -7.982 -8.178 -0.338 1.00 0.00 C ATOM 0 HA PRO A 40 -5.632 -9.593 1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.893 -9.089 -1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.135 -10.279 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.500 -7.354 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.334 -8.763 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.476 -7.208 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.757 -8.937 -0.444 1.00 0.00 H new ATOM 648 N CYS A 41 -3.676 -8.060 1.341 1.00 0.00 N ATOM 649 CA CYS A 41 -2.578 -7.149 1.599 1.00 0.00 C ATOM 650 C CYS A 41 -1.326 -7.810 1.040 1.00 0.00 C ATOM 651 O CYS A 41 -0.743 -8.659 1.711 1.00 0.00 O ATOM 652 CB CYS A 41 -2.426 -6.896 3.103 1.00 0.00 C ATOM 653 SG CYS A 41 -3.904 -6.154 3.836 1.00 0.00 S ATOM 0 H CYS A 41 -3.432 -9.039 1.489 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.755 -6.182 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.209 -7.838 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.572 -6.240 3.273 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.760 -5.876 2.898 1.00 0.00 H new ATOM 659 N MET A 42 -0.946 -7.484 -0.196 1.00 0.00 N ATOM 660 CA MET A 42 0.181 -8.092 -0.888 1.00 0.00 C ATOM 661 C MET A 42 1.339 -7.108 -0.998 1.00 0.00 C ATOM 662 O MET A 42 1.130 -5.896 -0.947 1.00 0.00 O ATOM 663 CB MET A 42 -0.254 -8.570 -2.282 1.00 0.00 C ATOM 664 CG MET A 42 -0.612 -10.055 -2.286 1.00 0.00 C ATOM 665 SD MET A 42 -1.078 -10.697 -3.912 1.00 0.00 S ATOM 666 CE MET A 42 -1.155 -12.463 -3.546 1.00 0.00 C ATOM 0 H MET A 42 -1.425 -6.775 -0.751 1.00 0.00 H new ATOM 0 HA MET A 42 0.521 -8.952 -0.312 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.114 -7.988 -2.614 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.549 -8.388 -2.996 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.239 -10.624 -1.913 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.436 -10.221 -1.592 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.432 -13.010 -4.448 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.180 -12.805 -3.199 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.900 -12.642 -2.771 1.00 0.00 H new ATOM 676 N LYS A 43 2.557 -7.627 -1.179 1.00 0.00 N ATOM 677 CA LYS A 43 3.708 -6.819 -1.538 1.00 0.00 C ATOM 678 C LYS A 43 4.454 -7.461 -2.700 1.00 0.00 C ATOM 679 O LYS A 43 4.382 -8.676 -2.859 1.00 0.00 O ATOM 680 CB LYS A 43 4.597 -6.582 -0.310 1.00 0.00 C ATOM 681 CG LYS A 43 5.662 -7.664 -0.081 1.00 0.00 C ATOM 682 CD LYS A 43 6.484 -7.325 1.170 1.00 0.00 C ATOM 683 CE LYS A 43 7.772 -8.150 1.250 1.00 0.00 C ATOM 684 NZ LYS A 43 8.761 -7.713 0.248 1.00 0.00 N ATOM 0 H LYS A 43 2.765 -8.621 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 43 3.379 -5.837 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.093 -5.617 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.964 -6.519 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.186 -8.637 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.316 -7.733 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.733 -6.264 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.881 -7.506 2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.201 -8.060 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.540 -9.204 1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.683 -8.146 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.449 -8.007 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.850 -6.677 0.277 1.00 0.00 H new ATOM 698 N LYS A 44 5.173 -6.639 -3.471 1.00 0.00 N ATOM 699 CA LYS A 44 6.057 -7.010 -4.566 1.00 0.00 C ATOM 700 C LYS A 44 7.400 -6.299 -4.347 1.00 0.00 C ATOM 701 O LYS A 44 7.436 -5.223 -3.754 1.00 0.00 O ATOM 702 CB LYS A 44 5.417 -6.563 -5.889 1.00 0.00 C ATOM 703 CG LYS A 44 6.177 -7.053 -7.128 1.00 0.00 C ATOM 704 CD LYS A 44 5.532 -6.490 -8.400 1.00 0.00 C ATOM 705 CE LYS A 44 6.324 -6.872 -9.656 1.00 0.00 C ATOM 706 NZ LYS A 44 6.332 -8.328 -9.879 1.00 0.00 N ATOM 0 H LYS A 44 5.147 -5.629 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 44 6.216 -8.088 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.392 -6.931 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.366 -5.474 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.220 -6.741 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.172 -8.143 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.512 -6.863 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.469 -5.404 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.891 -6.374 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.349 -6.514 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.789 -8.537 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.858 -8.794 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.354 -8.682 -9.893 1.00 0.00 H new ATOM 720 N THR A 45 8.499 -6.882 -4.836 1.00 0.00 N ATOM 721 CA THR A 45 9.818 -6.255 -4.854 1.00 0.00 C ATOM 722 C THR A 45 10.079 -5.666 -6.240 1.00 0.00 C ATOM 723 O THR A 45 9.827 -6.338 -7.239 1.00 0.00 O ATOM 724 CB THR A 45 10.866 -7.307 -4.474 1.00 0.00 C ATOM 725 OG1 THR A 45 10.556 -7.761 -3.173 1.00 0.00 O ATOM 726 CG2 THR A 45 12.290 -6.745 -4.485 1.00 0.00 C ATOM 0 H THR A 45 8.493 -7.820 -5.237 1.00 0.00 H new ATOM 0 HA THR A 45 9.872 -5.440 -4.132 1.00 0.00 H new ATOM 0 HB THR A 45 10.836 -8.113 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.919 -7.135 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.993 -7.531 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.529 -6.379 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.363 -5.925 -3.771 1.00 0.00 H new ATOM 734 N ILE A 46 10.569 -4.423 -6.296 1.00 0.00 N ATOM 735 CA ILE A 46 10.866 -3.695 -7.525 1.00 0.00 C ATOM 736 C ILE A 46 12.382 -3.588 -7.733 1.00 0.00 C ATOM 737 O ILE A 46 13.143 -3.163 -6.857 1.00 0.00 O ATOM 738 CB ILE A 46 10.112 -2.351 -7.555 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.890 -2.424 -8.491 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.968 -1.151 -7.987 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.866 -3.480 -8.058 1.00 0.00 C ATOM 0 H ILE A 46 10.775 -3.882 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 46 10.495 -4.250 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 46 9.810 -2.187 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.406 -1.448 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.227 -2.647 -9.503 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.358 -0.248 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.802 -1.031 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.352 -1.321 -8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.029 -3.483 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.337 -4.463 -8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.503 -3.246 -7.057 1.00 0.00 H new ATOM 753 N TYR A 47 12.811 -3.987 -8.929 1.00 0.00 N ATOM 754 CA TYR A 47 14.185 -3.986 -9.371 1.00 0.00 C ATOM 755 C TYR A 47 14.188 -3.692 -10.866 1.00 0.00 C ATOM 756 O TYR A 47 13.120 -3.619 -11.472 1.00 0.00 O ATOM 757 CB TYR A 47 14.806 -5.353 -9.060 1.00 0.00 C ATOM 758 CG TYR A 47 14.302 -6.510 -9.895 1.00 0.00 C ATOM 759 CD1 TYR A 47 13.129 -7.191 -9.522 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.064 -6.968 -10.986 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.718 -8.324 -10.243 1.00 0.00 C ATOM 762 CE2 TYR A 47 14.649 -8.099 -11.707 1.00 0.00 C ATOM 763 CZ TYR A 47 13.476 -8.777 -11.338 1.00 0.00 C ATOM 764 OH TYR A 47 13.093 -9.889 -12.026 1.00 0.00 O ATOM 0 H TYR A 47 12.171 -4.335 -9.643 1.00 0.00 H new ATOM 0 HA TYR A 47 14.776 -3.227 -8.859 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.886 -5.279 -9.190 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.627 -5.582 -8.010 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.545 -6.843 -8.682 1.00 0.00 H new ATOM 0 HD2 TYR A 47 15.968 -6.449 -11.269 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.818 -8.848 -9.956 1.00 0.00 H new ATOM 0 HE2 TYR A 47 15.232 -8.448 -12.546 1.00 0.00 H new ATOM 0 HH TYR A 47 13.729 -10.059 -12.752 1.00 0.00 H new ATOM 884 N ILE A 55 18.128 -4.152 -7.690 1.00 0.00 N ATOM 885 CA ILE A 55 17.046 -3.850 -6.753 1.00 0.00 C ATOM 886 C ILE A 55 16.965 -2.342 -6.524 1.00 0.00 C ATOM 887 O ILE A 55 17.995 -1.690 -6.373 1.00 0.00 O ATOM 888 CB ILE A 55 17.231 -4.646 -5.444 1.00 0.00 C ATOM 889 CG1 ILE A 55 17.091 -6.155 -5.732 1.00 0.00 C ATOM 890 CG2 ILE A 55 16.197 -4.219 -4.387 1.00 0.00 C ATOM 891 CD1 ILE A 55 17.570 -7.034 -4.573 1.00 0.00 C ATOM 0 HA ILE A 55 16.092 -4.164 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 55 18.226 -4.437 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.047 -6.383 -5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.661 -6.402 -6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.350 -4.796 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.316 -3.158 -4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.192 -4.401 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.446 -8.084 -4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.623 -6.832 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.983 -6.812 -3.682 1.00 0.00 H new ATOM 903 N LYS A 56 15.742 -1.795 -6.514 1.00 0.00 N ATOM 904 CA LYS A 56 15.507 -0.367 -6.331 1.00 0.00 C ATOM 905 C LYS A 56 14.499 -0.089 -5.219 1.00 0.00 C ATOM 906 O LYS A 56 14.616 0.927 -4.536 1.00 0.00 O ATOM 907 CB LYS A 56 15.034 0.258 -7.648 1.00 0.00 C ATOM 908 CG LYS A 56 16.180 0.303 -8.666 1.00 0.00 C ATOM 909 CD LYS A 56 15.725 0.839 -10.029 1.00 0.00 C ATOM 910 CE LYS A 56 15.122 2.249 -9.990 1.00 0.00 C ATOM 911 NZ LYS A 56 16.035 3.227 -9.374 1.00 0.00 N ATOM 0 H LYS A 56 14.887 -2.338 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 56 16.451 0.088 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.203 -0.319 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.663 1.266 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.982 0.932 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.592 -0.698 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 56 16.578 0.841 -10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.987 0.154 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.881 2.568 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.186 2.227 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.623 4.179 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.178 2.985 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.950 3.208 -9.869 1.00 0.00 H new ATOM 925 N GLY A 57 13.487 -0.941 -5.039 1.00 0.00 N ATOM 926 CA GLY A 57 12.406 -0.602 -4.136 1.00 0.00 C ATOM 927 C GLY A 57 11.435 -1.757 -3.957 1.00 0.00 C ATOM 928 O GLY A 57 11.745 -2.899 -4.294 1.00 0.00 O ATOM 0 H GLY A 57 13.401 -1.848 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.817 -0.320 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.871 0.266 -4.520 1.00 0.00 H new ATOM 932 N TYR A 58 10.255 -1.458 -3.417 1.00 0.00 N ATOM 933 CA TYR A 58 9.184 -2.410 -3.200 1.00 0.00 C ATOM 934 C TYR A 58 7.860 -1.689 -3.422 1.00 0.00 C ATOM 935 O TYR A 58 7.807 -0.460 -3.353 1.00 0.00 O ATOM 936 CB TYR A 58 9.240 -2.972 -1.774 1.00 0.00 C ATOM 937 CG TYR A 58 10.595 -3.495 -1.328 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.596 -2.599 -0.908 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.887 -4.868 -1.420 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.897 -3.060 -0.651 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.186 -5.333 -1.146 1.00 0.00 C ATOM 942 CZ TYR A 58 13.198 -4.424 -0.794 1.00 0.00 C ATOM 943 OH TYR A 58 14.474 -4.856 -0.590 1.00 0.00 O ATOM 0 H TYR A 58 10.017 -0.514 -3.111 1.00 0.00 H new ATOM 0 HA TYR A 58 9.286 -3.245 -3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.926 -2.190 -1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.514 -3.780 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.362 -1.552 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.113 -5.566 -1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.665 -2.366 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.406 -6.389 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 58 14.517 -5.825 -0.727 1.00 0.00 H new ATOM 953 N GLU A 59 6.806 -2.465 -3.658 1.00 0.00 N ATOM 954 CA GLU A 59 5.433 -2.006 -3.799 1.00 0.00 C ATOM 955 C GLU A 59 4.578 -2.804 -2.821 1.00 0.00 C ATOM 956 O GLU A 59 4.846 -3.984 -2.607 1.00 0.00 O ATOM 957 CB GLU A 59 4.934 -2.209 -5.241 1.00 0.00 C ATOM 958 CG GLU A 59 4.897 -0.896 -6.036 1.00 0.00 C ATOM 959 CD GLU A 59 6.258 -0.235 -6.216 1.00 0.00 C ATOM 960 OE1 GLU A 59 7.262 -0.972 -6.282 1.00 0.00 O ATOM 961 OE2 GLU A 59 6.265 1.010 -6.308 1.00 0.00 O ATOM 0 H GLU A 59 6.893 -3.476 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 59 5.368 -0.940 -3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.583 -2.921 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.936 -2.646 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.468 -1.092 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.230 -0.197 -5.531 1.00 0.00 H new ATOM 968 N TYR A 60 3.565 -2.168 -2.231 1.00 0.00 N ATOM 969 CA TYR A 60 2.624 -2.798 -1.318 1.00 0.00 C ATOM 970 C TYR A 60 1.230 -2.430 -1.803 1.00 0.00 C ATOM 971 O TYR A 60 0.940 -1.248 -1.945 1.00 0.00 O ATOM 972 CB TYR A 60 2.838 -2.303 0.113 1.00 0.00 C ATOM 973 CG TYR A 60 4.008 -2.921 0.863 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.334 -2.705 0.444 1.00 0.00 C ATOM 975 CD2 TYR A 60 3.766 -3.604 2.068 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.405 -3.179 1.222 1.00 0.00 C ATOM 977 CE2 TYR A 60 4.838 -4.027 2.872 1.00 0.00 C ATOM 978 CZ TYR A 60 6.157 -3.785 2.463 1.00 0.00 C ATOM 979 OH TYR A 60 7.179 -3.896 3.360 1.00 0.00 O ATOM 0 H TYR A 60 3.376 -1.177 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 60 2.764 -3.879 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.979 -1.223 0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.927 -2.491 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.529 -2.175 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.751 -3.805 2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.419 -3.077 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.646 -4.538 3.804 1.00 0.00 H new ATOM 0 HH TYR A 60 6.854 -4.336 4.173 1.00 0.00 H new ATOM 989 N GLN A 61 0.395 -3.431 -2.063 1.00 0.00 N ATOM 990 CA GLN A 61 -0.970 -3.296 -2.546 1.00 0.00 C ATOM 991 C GLN A 61 -1.881 -3.789 -1.429 1.00 0.00 C ATOM 992 O GLN A 61 -1.793 -4.956 -1.050 1.00 0.00 O ATOM 993 CB GLN A 61 -1.118 -4.123 -3.835 1.00 0.00 C ATOM 994 CG GLN A 61 -2.496 -4.000 -4.502 1.00 0.00 C ATOM 995 CD GLN A 61 -3.557 -4.896 -3.865 1.00 0.00 C ATOM 996 OE1 GLN A 61 -3.614 -6.089 -4.137 1.00 0.00 O ATOM 997 NE2 GLN A 61 -4.419 -4.336 -3.021 1.00 0.00 N ATOM 0 H GLN A 61 0.668 -4.405 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.234 -2.267 -2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.353 -3.810 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.929 -5.172 -3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.827 -2.963 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.404 -4.252 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.352 -3.340 -2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.147 -4.902 -2.585 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.741 -2.923 -0.885 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.553 -3.291 0.267 1.00 0.00 C ATOM 1008 C LEU A 62 -4.864 -2.508 0.302 1.00 0.00 C ATOM 1009 O LEU A 62 -4.965 -1.432 -0.288 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.717 -3.208 1.562 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.797 -1.980 1.725 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.569 -0.728 2.141 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.736 -2.278 2.790 1.00 0.00 C ATOM 0 H LEU A 62 -2.889 -1.972 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.859 -4.333 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.402 -3.233 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.100 -4.104 1.625 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.337 -1.787 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.878 0.109 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.315 -0.492 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.065 -0.907 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.085 -1.412 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.225 -2.495 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.143 -3.139 2.482 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.890 -3.085 0.936 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.220 -2.513 1.025 1.00 0.00 C ATOM 1027 C TYR A 63 -7.361 -1.760 2.352 1.00 0.00 C ATOM 1028 O TYR A 63 -7.476 -2.359 3.424 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.253 -3.624 0.833 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.532 -3.950 -0.624 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.605 -4.698 -1.371 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.700 -3.470 -1.246 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.873 -5.010 -2.716 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.986 -3.814 -2.577 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.074 -4.590 -3.311 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.333 -4.908 -4.609 1.00 0.00 O ATOM 0 H TYR A 63 -5.807 -3.984 1.410 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.394 -1.781 0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.903 -4.525 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.185 -3.329 1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.687 -5.033 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.379 -2.834 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.154 -5.573 -3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.906 -3.482 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.205 -4.544 -4.867 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.313 -0.431 2.257 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.356 0.513 3.359 1.00 0.00 C ATOM 1048 C VAL A 64 -8.816 0.805 3.692 1.00 0.00 C ATOM 1049 O VAL A 64 -9.599 1.130 2.802 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.627 1.802 2.944 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.624 2.836 4.074 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.176 1.509 2.550 1.00 0.00 C ATOM 0 H VAL A 64 -7.239 0.036 1.353 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.864 0.101 4.240 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.169 2.206 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.100 3.733 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.651 3.091 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.119 2.421 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.683 2.437 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.651 1.068 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.160 0.813 1.711 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.173 0.719 4.972 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.476 1.082 5.494 1.00 0.00 C ATOM 1064 C TYR A 65 -10.359 2.482 6.104 1.00 0.00 C ATOM 1065 O TYR A 65 -9.561 2.692 7.023 1.00 0.00 O ATOM 1066 CB TYR A 65 -10.927 0.028 6.525 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.297 -0.580 6.282 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.388 0.229 5.907 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.487 -1.965 6.455 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.639 -0.355 5.642 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.744 -2.542 6.210 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.822 -1.737 5.810 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.046 -2.297 5.600 1.00 0.00 O ATOM 0 H TYR A 65 -8.536 0.382 5.694 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.233 1.104 4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.190 -0.775 6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.923 0.487 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.263 1.298 5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.664 -2.585 6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.461 0.261 5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.881 -3.607 6.330 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.996 -3.263 5.759 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.135 3.442 5.593 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.128 4.827 6.041 1.00 0.00 C ATOM 1085 C ALA A 66 -12.552 5.369 5.985 1.00 0.00 C ATOM 1086 O ALA A 66 -13.240 5.186 4.987 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.188 5.643 5.151 1.00 0.00 C ATOM 0 H ALA A 66 -11.799 3.268 4.839 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.768 4.897 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.181 6.681 5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.180 5.234 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.533 5.596 4.118 1.00 0.00 H new ATOM 1093 N SER A 67 -13.015 6.006 7.062 1.00 0.00 N ATOM 1094 CA SER A 67 -14.371 6.534 7.183 1.00 0.00 C ATOM 1095 C SER A 67 -15.415 5.444 6.885 1.00 0.00 C ATOM 1096 O SER A 67 -16.421 5.687 6.224 1.00 0.00 O ATOM 1097 CB SER A 67 -14.524 7.775 6.284 1.00 0.00 C ATOM 1098 OG SER A 67 -15.241 8.783 6.969 1.00 0.00 O ATOM 0 H SER A 67 -12.444 6.172 7.891 1.00 0.00 H new ATOM 0 HA SER A 67 -14.551 6.850 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.542 8.148 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.046 7.507 5.365 1.00 0.00 H new ATOM 0 HG SER A 67 -15.333 9.569 6.391 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.139 4.221 7.355 1.00 0.00 N ATOM 1105 CA ASP A 68 -15.895 3.011 7.042 1.00 0.00 C ATOM 1106 C ASP A 68 -16.207 2.868 5.542 1.00 0.00 C ATOM 1107 O ASP A 68 -17.261 2.365 5.160 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.147 2.914 7.927 1.00 0.00 C ATOM 1109 CG ASP A 68 -17.843 1.556 7.820 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.122 0.545 7.662 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.090 1.549 7.916 1.00 0.00 O ATOM 0 H ASP A 68 -14.356 4.045 7.985 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.260 2.157 7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.868 3.093 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.848 3.700 7.645 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.261 3.261 4.686 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.270 2.996 3.259 1.00 0.00 C ATOM 1118 C LYS A 69 -13.945 2.318 2.932 1.00 0.00 C ATOM 1119 O LYS A 69 -12.908 2.682 3.489 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.428 4.306 2.477 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.843 4.895 2.551 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.859 4.030 1.792 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.177 4.787 1.599 1.00 0.00 C ATOM 1124 NZ LYS A 69 -20.154 3.974 0.853 1.00 0.00 N ATOM 0 H LYS A 69 -14.442 3.791 4.985 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.106 2.356 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.718 5.038 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.170 4.130 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.147 4.982 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.840 5.902 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.451 3.747 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.041 3.107 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.591 5.056 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.990 5.718 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.037 4.512 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.767 3.738 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.349 3.097 1.378 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.987 1.301 2.070 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.823 0.510 1.718 1.00 0.00 C ATOM 1140 C LEU A 70 -12.266 1.026 0.390 1.00 0.00 C ATOM 1141 O LEU A 70 -13.011 1.153 -0.581 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.230 -0.969 1.661 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.018 -1.911 1.625 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.398 -2.056 3.019 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.460 -3.293 1.130 1.00 0.00 C ATOM 0 H LEU A 70 -14.841 1.006 1.596 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.032 0.601 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.845 -1.207 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.845 -1.140 0.777 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.274 -1.488 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.541 -2.728 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.072 -1.079 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.139 -2.464 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.600 -3.962 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.214 -3.697 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.880 -3.203 0.128 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.972 1.349 0.359 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.248 1.844 -0.803 1.00 0.00 C ATOM 1159 C PHE A 71 -9.050 0.933 -1.033 1.00 0.00 C ATOM 1160 O PHE A 71 -8.398 0.526 -0.074 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.761 3.273 -0.543 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.847 4.327 -0.591 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.642 4.588 0.541 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.990 5.123 -1.741 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.567 5.647 0.522 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.925 6.168 -1.765 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.714 6.433 -0.633 1.00 0.00 C ATOM 0 H PHE A 71 -10.377 1.267 1.183 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.898 1.850 -1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.282 3.307 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.998 3.523 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.541 3.975 1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.378 4.929 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.165 5.856 1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.039 6.770 -2.655 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.432 7.239 -0.651 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.738 0.627 -2.292 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.539 -0.116 -2.634 1.00 0.00 C ATOM 1179 C ARG A 72 -6.411 0.887 -2.834 1.00 0.00 C ATOM 1180 O ARG A 72 -6.537 1.797 -3.653 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.782 -0.962 -3.884 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.571 -1.859 -4.190 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.702 -1.301 -5.321 1.00 0.00 C ATOM 1184 NE ARG A 72 -6.466 -1.293 -6.571 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.950 -1.164 -7.800 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.651 -0.898 -7.965 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -6.752 -1.289 -8.861 1.00 0.00 N ATOM 0 H ARG A 72 -9.310 0.888 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.266 -0.806 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.669 -1.579 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.980 -0.310 -4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.966 -1.967 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.920 -2.855 -4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.375 -0.290 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.804 -1.908 -5.436 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.478 -1.394 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.045 -0.792 -7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.266 -0.801 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.745 -1.481 -8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.371 -1.193 -9.802 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.318 0.727 -2.091 1.00 0.00 N ATOM 1202 CA ALA A 73 -4.167 1.610 -2.152 1.00 0.00 C ATOM 1203 C ALA A 73 -2.950 0.814 -2.602 1.00 0.00 C ATOM 1204 O ALA A 73 -2.828 -0.372 -2.277 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.924 2.249 -0.785 1.00 0.00 C ATOM 0 H ALA A 73 -5.211 -0.034 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.353 2.409 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.059 2.910 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.802 2.825 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.738 1.469 -0.047 1.00 0.00 H new ATOM 1211 N ASP A 74 -2.061 1.479 -3.342 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.743 0.977 -3.680 1.00 0.00 C ATOM 1213 C ASP A 74 0.280 1.988 -3.177 1.00 0.00 C ATOM 1214 O ASP A 74 0.185 3.174 -3.497 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.620 0.722 -5.182 1.00 0.00 C ATOM 1216 CG ASP A 74 0.683 -0.009 -5.496 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.745 0.629 -5.347 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.590 -1.197 -5.875 1.00 0.00 O ATOM 0 H ASP A 74 -2.250 2.404 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.564 0.014 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.468 0.130 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.652 1.669 -5.721 1.00 0.00 H new ATOM 1223 N ILE A 75 1.214 1.511 -2.357 1.00 0.00 N ATOM 1224 CA ILE A 75 2.285 2.262 -1.717 1.00 0.00 C ATOM 1225 C ILE A 75 3.599 1.783 -2.334 1.00 0.00 C ATOM 1226 O ILE A 75 3.692 0.615 -2.712 1.00 0.00 O ATOM 1227 CB ILE A 75 2.282 1.993 -0.195 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.877 1.892 0.428 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.127 3.027 0.561 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.029 3.150 0.240 1.00 0.00 C ATOM 0 H ILE A 75 1.242 0.522 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 75 2.154 3.334 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 75 2.735 1.008 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.354 1.043 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.976 1.687 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.102 2.807 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.157 2.985 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.723 4.024 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.946 3.004 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.530 3.999 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.102 3.345 -0.824 1.00 0.00 H new ATOM 1242 N SER A 76 4.610 2.653 -2.402 1.00 0.00 N ATOM 1243 CA SER A 76 5.935 2.340 -2.909 1.00 0.00 C ATOM 1244 C SER A 76 6.948 2.605 -1.803 1.00 0.00 C ATOM 1245 O SER A 76 6.735 3.519 -1.006 1.00 0.00 O ATOM 1246 CB SER A 76 6.249 3.243 -4.101 1.00 0.00 C ATOM 1247 OG SER A 76 5.227 3.154 -5.070 1.00 0.00 O ATOM 0 H SER A 76 4.519 3.621 -2.095 1.00 0.00 H new ATOM 0 HA SER A 76 5.979 1.297 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.352 4.275 -3.766 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.203 2.954 -4.542 1.00 0.00 H new ATOM 0 HG SER A 76 5.408 2.399 -5.668 1.00 0.00 H new ATOM 1253 N GLU A 77 8.043 1.843 -1.786 1.00 0.00 N ATOM 1254 CA GLU A 77 9.230 2.056 -0.973 1.00 0.00 C ATOM 1255 C GLU A 77 10.405 2.171 -1.938 1.00 0.00 C ATOM 1256 O GLU A 77 10.573 1.272 -2.759 1.00 0.00 O ATOM 1257 CB GLU A 77 9.426 0.855 -0.037 1.00 0.00 C ATOM 1258 CG GLU A 77 10.670 1.003 0.854 1.00 0.00 C ATOM 1259 CD GLU A 77 10.793 -0.128 1.872 1.00 0.00 C ATOM 1260 OE1 GLU A 77 10.275 -1.229 1.580 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.406 0.124 2.930 1.00 0.00 O ATOM 0 H GLU A 77 8.124 1.014 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 77 9.144 2.954 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.543 0.740 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.514 -0.055 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.562 1.023 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.627 1.958 1.379 1.00 0.00 H new ATOM 1268 N ASP A 78 11.208 3.237 -1.843 1.00 0.00 N ATOM 1269 CA ASP A 78 12.448 3.368 -2.603 1.00 0.00 C ATOM 1270 C ASP A 78 13.611 3.068 -1.663 1.00 0.00 C ATOM 1271 O ASP A 78 13.796 3.766 -0.670 1.00 0.00 O ATOM 1272 CB ASP A 78 12.576 4.773 -3.200 1.00 0.00 C ATOM 1273 CG ASP A 78 13.792 4.868 -4.122 1.00 0.00 C ATOM 1274 OD1 ASP A 78 14.914 4.622 -3.628 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.578 5.176 -5.315 1.00 0.00 O ATOM 0 H ASP A 78 11.012 4.032 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 78 12.451 2.665 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.672 5.019 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.665 5.506 -2.398 1.00 0.00 H new ATOM 1280 N TYR A 79 14.400 2.040 -1.972 1.00 0.00 N ATOM 1281 CA TYR A 79 15.430 1.538 -1.078 1.00 0.00 C ATOM 1282 C TYR A 79 16.570 2.540 -0.858 1.00 0.00 C ATOM 1283 O TYR A 79 17.257 2.448 0.154 1.00 0.00 O ATOM 1284 CB TYR A 79 15.946 0.193 -1.605 1.00 0.00 C ATOM 1285 CG TYR A 79 16.837 -0.558 -0.634 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.303 -1.044 0.574 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.200 -0.756 -0.923 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.123 -1.731 1.485 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.019 -1.447 -0.014 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.483 -1.931 1.191 1.00 0.00 C ATOM 1291 OH TYR A 79 19.284 -2.601 2.066 1.00 0.00 O ATOM 0 H TYR A 79 14.339 1.533 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 79 14.983 1.391 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.093 -0.436 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.499 0.366 -2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.259 -0.888 0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.617 -0.377 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 79 16.709 -2.105 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.063 -1.606 -0.242 1.00 0.00 H new ATOM 0 HH TYR A 79 20.194 -2.650 1.705 1.00 0.00 H new ATOM 1301 N LYS A 80 16.789 3.490 -1.777 1.00 0.00 N ATOM 1302 CA LYS A 80 17.887 4.432 -1.666 1.00 0.00 C ATOM 1303 C LYS A 80 17.712 5.314 -0.432 1.00 0.00 C ATOM 1304 O LYS A 80 18.602 5.388 0.410 1.00 0.00 O ATOM 1305 CB LYS A 80 17.969 5.289 -2.931 1.00 0.00 C ATOM 1306 CG LYS A 80 18.306 4.464 -4.180 1.00 0.00 C ATOM 1307 CD LYS A 80 18.337 5.334 -5.446 1.00 0.00 C ATOM 1308 CE LYS A 80 19.308 6.522 -5.370 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.675 6.101 -5.013 1.00 0.00 N ATOM 0 H LYS A 80 16.210 3.619 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 80 18.818 3.876 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.018 5.799 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.726 6.061 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.274 3.981 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.568 3.671 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.611 4.709 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.333 5.712 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.327 7.036 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.946 7.239 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.313 6.921 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.677 5.710 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.000 5.374 -5.682 1.00 0.00 H new ATOM 1323 N THR A 81 16.568 5.994 -0.327 1.00 0.00 N ATOM 1324 CA THR A 81 16.242 6.759 0.861 1.00 0.00 C ATOM 1325 C THR A 81 15.720 5.829 1.955 1.00 0.00 C ATOM 1326 O THR A 81 15.782 6.159 3.136 1.00 0.00 O ATOM 1327 CB THR A 81 15.157 7.776 0.490 1.00 0.00 C ATOM 1328 OG1 THR A 81 14.104 7.099 -0.178 1.00 0.00 O ATOM 1329 CG2 THR A 81 15.722 8.859 -0.433 1.00 0.00 C ATOM 0 H THR A 81 15.856 6.025 -1.056 1.00 0.00 H new ATOM 0 HA THR A 81 17.131 7.268 1.233 1.00 0.00 H new ATOM 0 HB THR A 81 14.790 8.250 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.403 7.741 -0.419 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.935 9.570 -0.684 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.535 9.380 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.099 8.398 -1.346 1.00 0.00 H new ATOM 1337 N ARG A 82 15.136 4.700 1.539 1.00 0.00 N ATOM 1338 CA ARG A 82 14.294 3.848 2.356 1.00 0.00 C ATOM 1339 C ARG A 82 12.986 4.589 2.669 1.00 0.00 C ATOM 1340 O ARG A 82 12.226 4.175 3.543 1.00 0.00 O ATOM 1341 CB ARG A 82 15.040 3.354 3.602 1.00 0.00 C ATOM 1342 CG ARG A 82 14.557 1.946 3.956 1.00 0.00 C ATOM 1343 CD ARG A 82 15.111 1.510 5.315 1.00 0.00 C ATOM 1344 NE ARG A 82 14.711 0.132 5.629 1.00 0.00 N ATOM 1345 CZ ARG A 82 15.023 -0.506 6.766 1.00 0.00 C ATOM 1346 NH1 ARG A 82 15.724 0.116 7.719 1.00 0.00 N ATOM 1347 NH2 ARG A 82 14.628 -1.771 6.942 1.00 0.00 N ATOM 0 H ARG A 82 15.247 4.350 0.587 1.00 0.00 H new ATOM 0 HA ARG A 82 14.033 2.942 1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.114 3.347 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.865 4.032 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.467 1.925 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.874 1.243 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.198 1.584 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.750 2.183 6.092 1.00 0.00 H new ATOM 0 HE ARG A 82 14.159 -0.373 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.025 1.081 7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.958 -0.375 8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.093 -2.244 6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.862 -2.263 7.804 1.00 0.00 H new ATOM 1361 N GLY A 83 12.712 5.686 1.951 1.00 0.00 N ATOM 1362 CA GLY A 83 11.492 6.449 2.096 1.00 0.00 C ATOM 1363 C GLY A 83 10.393 5.772 1.290 1.00 0.00 C ATOM 1364 O GLY A 83 10.673 5.059 0.321 1.00 0.00 O ATOM 0 H GLY A 83 13.347 6.063 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.207 6.510 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.642 7.471 1.747 1.00 0.00 H new ATOM 1368 N ARG A 84 9.141 6.001 1.689 1.00 0.00 N ATOM 1369 CA ARG A 84 7.984 5.492 0.983 1.00 0.00 C ATOM 1370 C ARG A 84 7.158 6.631 0.421 1.00 0.00 C ATOM 1371 O ARG A 84 7.388 7.797 0.737 1.00 0.00 O ATOM 1372 CB ARG A 84 7.116 4.662 1.923 1.00 0.00 C ATOM 1373 CG ARG A 84 7.897 3.507 2.557 1.00 0.00 C ATOM 1374 CD ARG A 84 7.027 2.253 2.532 1.00 0.00 C ATOM 1375 NE ARG A 84 7.729 1.098 3.106 1.00 0.00 N ATOM 1376 CZ ARG A 84 7.264 -0.154 3.026 1.00 0.00 C ATOM 1377 NH1 ARG A 84 6.069 -0.373 2.468 1.00 0.00 N ATOM 1378 NH2 ARG A 84 7.996 -1.170 3.495 1.00 0.00 N ATOM 0 H ARG A 84 8.909 6.549 2.517 1.00 0.00 H new ATOM 0 HA ARG A 84 8.337 4.867 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.717 5.304 2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.264 4.264 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.824 3.334 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.172 3.755 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.108 2.435 3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.738 2.030 1.505 1.00 0.00 H new ATOM 0 HE ARG A 84 8.613 1.258 3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.523 0.410 2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.704 -1.323 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.909 -0.990 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.642 -2.125 3.434 1.00 0.00 H new ATOM 1392 N LYS A 85 6.168 6.257 -0.386 1.00 0.00 N ATOM 1393 CA LYS A 85 5.193 7.178 -0.938 1.00 0.00 C ATOM 1394 C LYS A 85 3.926 6.457 -1.384 1.00 0.00 C ATOM 1395 O LYS A 85 3.947 5.256 -1.636 1.00 0.00 O ATOM 1396 CB LYS A 85 5.825 8.045 -2.039 1.00 0.00 C ATOM 1397 CG LYS A 85 6.377 7.280 -3.255 1.00 0.00 C ATOM 1398 CD LYS A 85 5.344 7.066 -4.372 1.00 0.00 C ATOM 1399 CE LYS A 85 5.088 8.362 -5.156 1.00 0.00 C ATOM 1400 NZ LYS A 85 3.918 8.239 -6.042 1.00 0.00 N ATOM 0 H LYS A 85 6.023 5.290 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 85 4.876 7.861 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.078 8.757 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.636 8.625 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.229 7.826 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.748 6.310 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.697 6.291 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.409 6.709 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.932 9.185 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.969 8.609 -5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.755 9.143 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.092 7.493 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.079 7.994 -5.478 1.00 0.00 H new ATOM 1414 N LEU A 86 2.820 7.200 -1.465 1.00 0.00 N ATOM 1415 CA LEU A 86 1.543 6.716 -1.966 1.00 0.00 C ATOM 1416 C LEU A 86 1.619 6.701 -3.491 1.00 0.00 C ATOM 1417 O LEU A 86 1.842 7.748 -4.095 1.00 0.00 O ATOM 1418 CB LEU A 86 0.440 7.659 -1.461 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.977 7.326 -1.955 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.396 5.909 -1.549 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.956 8.343 -1.356 1.00 0.00 C ATOM 0 H LEU A 86 2.793 8.178 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 86 1.317 5.709 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.441 7.644 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.685 8.676 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.988 7.376 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.403 5.708 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.703 5.187 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.381 5.822 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.967 8.120 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.920 8.286 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.678 9.347 -1.676 1.00 0.00 H new ATOM 1433 N LEU A 87 1.467 5.533 -4.119 1.00 0.00 N ATOM 1434 CA LEU A 87 1.490 5.422 -5.569 1.00 0.00 C ATOM 1435 C LEU A 87 0.109 5.771 -6.107 1.00 0.00 C ATOM 1436 O LEU A 87 -0.037 6.701 -6.895 1.00 0.00 O ATOM 1437 CB LEU A 87 1.920 4.009 -5.995 1.00 0.00 C ATOM 1438 CG LEU A 87 2.342 3.907 -7.470 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.605 4.720 -7.778 1.00 0.00 C ATOM 1440 CD2 LEU A 87 2.605 2.433 -7.798 1.00 0.00 C ATOM 0 H LEU A 87 1.326 4.646 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 87 2.219 6.118 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.750 3.687 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.096 3.319 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 87 1.536 4.315 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.859 4.613 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.425 5.771 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.431 4.355 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.906 2.341 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.400 2.054 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.696 1.855 -7.630 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.900 5.007 -5.681 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.279 5.151 -6.130 1.00 0.00 C ATOM 1454 C ARG A 88 -3.229 4.845 -4.972 1.00 0.00 C ATOM 1455 O ARG A 88 -2.868 4.112 -4.050 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.552 4.230 -7.330 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.943 4.792 -8.623 1.00 0.00 C ATOM 1458 CD ARG A 88 -2.135 3.847 -9.812 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.281 2.658 -9.682 1.00 0.00 N ATOM 1460 CZ ARG A 88 -1.044 1.780 -10.666 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.679 1.891 -11.838 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -0.164 0.793 -10.471 1.00 0.00 N ATOM 0 H ARG A 88 -0.774 4.257 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.447 6.178 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.138 3.241 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.627 4.106 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.401 5.755 -8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.879 4.972 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.180 3.544 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.898 4.370 -10.739 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.837 2.489 -8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.348 2.647 -11.986 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.495 1.220 -12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.322 0.712 -9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.022 0.121 -11.215 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.434 5.418 -5.033 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.492 5.290 -4.041 1.00 0.00 C ATOM 1478 C PHE A 89 -6.814 5.284 -4.803 1.00 0.00 C ATOM 1479 O PHE A 89 -7.247 6.336 -5.269 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.424 6.472 -3.068 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.442 6.417 -1.945 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.134 5.738 -0.751 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.678 7.079 -2.076 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.054 5.731 0.313 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.585 7.091 -1.003 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.276 6.413 0.188 1.00 0.00 C ATOM 0 H PHE A 89 -4.706 6.012 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.390 4.375 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.425 6.513 -2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.567 7.396 -3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.190 5.222 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.929 7.577 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.821 5.202 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.521 7.622 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.978 6.416 1.008 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.418 4.109 -4.982 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.588 3.921 -5.818 1.00 0.00 C ATOM 1498 C ASN A 90 -9.738 3.454 -4.937 1.00 0.00 C ATOM 1499 O ASN A 90 -9.539 2.648 -4.028 1.00 0.00 O ATOM 1500 CB ASN A 90 -8.311 2.846 -6.871 1.00 0.00 C ATOM 1501 CG ASN A 90 -7.054 3.095 -7.703 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -6.423 2.029 -8.184 1.00 0.00 O flip ATOM 1503 ND2 ASN A 90 -6.639 4.229 -7.919 1.00 0.00 N flip ATOM 0 H ASN A 90 -7.096 3.249 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.836 4.859 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.219 1.881 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.169 2.779 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.137 5.035 -7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.796 4.366 -8.476 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.947 3.929 -5.227 1.00 0.00 N ATOM 1511 CA GLY A 91 -12.154 3.487 -4.551 1.00 0.00 C ATOM 1512 C GLY A 91 -13.174 4.615 -4.396 1.00 0.00 C ATOM 1513 O GLY A 91 -13.028 5.661 -5.034 1.00 0.00 O ATOM 0 H GLY A 91 -11.113 4.636 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.603 2.667 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.895 3.096 -3.567 1.00 0.00 H new ATOM 1517 N PRO A 92 -14.198 4.427 -3.548 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.398 3.243 -2.721 1.00 0.00 C ATOM 1519 C PRO A 92 -14.670 2.005 -3.581 1.00 0.00 C ATOM 1520 O PRO A 92 -15.247 2.116 -4.660 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.588 3.573 -1.819 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.373 4.608 -2.627 1.00 0.00 C ATOM 1523 CD PRO A 92 -15.273 5.382 -3.353 1.00 0.00 C ATOM 0 HA PRO A 92 -13.510 3.005 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.189 2.689 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.264 3.975 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.063 4.136 -3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.966 5.257 -1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.630 5.772 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.939 6.236 -2.764 1.00 0.00 H new