USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 23 ASN : amide:sc= -0.154 K(o=-5.9,f=-7.7!) USER MOD Set 1.2: A 55 GLN : amide:sc= -5.78! C(o=-5.9!,f=-7.7!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.21) USER MOD Set 2.2: A 43 ASN : amide:sc= 0 X(o=-0.13,f=-0.13) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.84! K(o=-3.6!,f=-4.4) USER MOD Set 3.2: A 52 ASN : amide:sc= -0.796 K(o=-3.6,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 172:sc= -0.799 (180deg=-0.985) USER MOD Single : A 3 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -105:sc= -0.154 (180deg=-1.05) USER MOD Single : A 6 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 98:sc= 0.573 USER MOD Single : A 18 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 26 GLN : amide:sc= -8.21! C(o=-8.2!,f=-6.7!) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0231 (180deg=-0.3) USER MOD Single : A 33 SER OG : rot 73:sc= 0.433 USER MOD Single : A 39 SER OG : rot -54:sc= 1.32 USER MOD Single : A 41 SER OG : rot -122:sc= 0.157 USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= -1.16 (180deg=-3.77!) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= -1.5 (180deg=-1.55) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= -0.654 (180deg=-4.79!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.272 -18.090 5.615 1.00 0.00 N ATOM 2 CA VAL A 1 5.453 -16.984 6.603 1.00 0.00 C ATOM 3 C VAL A 1 6.682 -17.260 7.470 1.00 0.00 C ATOM 4 O VAL A 1 7.030 -16.454 8.337 1.00 0.00 O ATOM 5 CB VAL A 1 4.196 -16.864 7.487 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.042 -16.269 6.671 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.788 -18.249 8.018 1.00 0.00 C ATOM 0 H1 VAL A 1 4.365 -17.969 5.121 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.048 -18.068 4.923 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.277 -19.004 6.112 1.00 0.00 H new ATOM 0 HA VAL A 1 5.601 -16.045 6.069 1.00 0.00 H new ATOM 0 HB VAL A 1 4.420 -16.210 8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.156 -16.186 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.324 -15.280 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.825 -16.917 5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.899 -18.152 8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.573 -18.911 7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.603 -18.666 8.610 1.00 0.00 H new ATOM 19 N ASP A 2 7.337 -18.401 7.227 1.00 0.00 N ATOM 20 CA ASP A 2 8.532 -18.783 7.984 1.00 0.00 C ATOM 21 C ASP A 2 9.606 -17.704 7.863 1.00 0.00 C ATOM 22 O ASP A 2 10.291 -17.383 8.836 1.00 0.00 O ATOM 23 CB ASP A 2 9.073 -20.114 7.451 1.00 0.00 C ATOM 24 CG ASP A 2 7.994 -21.192 7.554 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.834 -21.744 8.629 1.00 0.00 O ATOM 26 OD2 ASP A 2 7.334 -21.438 6.556 1.00 0.00 O ATOM 0 H ASP A 2 7.059 -19.074 6.513 1.00 0.00 H new ATOM 0 HA ASP A 2 8.264 -18.893 9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.387 -20.000 6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.954 -20.413 8.020 1.00 0.00 H new ATOM 31 N ASN A 3 9.722 -17.137 6.663 1.00 0.00 N ATOM 32 CA ASN A 3 10.690 -16.073 6.403 1.00 0.00 C ATOM 33 C ASN A 3 10.094 -14.729 6.810 1.00 0.00 C ATOM 34 O ASN A 3 8.884 -14.624 7.024 1.00 0.00 O ATOM 35 CB ASN A 3 11.056 -16.050 4.914 1.00 0.00 C ATOM 36 CG ASN A 3 11.575 -17.419 4.475 1.00 0.00 C ATOM 37 OD1 ASN A 3 11.083 -17.985 3.499 1.00 0.00 O ATOM 38 ND2 ASN A 3 12.542 -17.986 5.141 1.00 0.00 N ATOM 0 H ASN A 3 9.157 -17.397 5.855 1.00 0.00 H new ATOM 0 HA ASN A 3 11.592 -16.259 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.182 -15.778 4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.815 -15.290 4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.892 -18.900 4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.949 -17.516 5.950 1.00 0.00 H new ATOM 45 N LYS A 4 10.942 -13.706 6.920 1.00 0.00 N ATOM 46 CA LYS A 4 10.476 -12.376 7.307 1.00 0.00 C ATOM 47 C LYS A 4 9.729 -11.710 6.145 1.00 0.00 C ATOM 48 O LYS A 4 10.252 -10.811 5.479 1.00 0.00 O ATOM 49 CB LYS A 4 11.669 -11.511 7.751 1.00 0.00 C ATOM 50 CG LYS A 4 11.173 -10.197 8.389 1.00 0.00 C ATOM 51 CD LYS A 4 10.726 -10.439 9.843 1.00 0.00 C ATOM 52 CE LYS A 4 11.948 -10.627 10.755 1.00 0.00 C ATOM 53 NZ LYS A 4 12.120 -12.076 11.065 1.00 0.00 N ATOM 0 H LYS A 4 11.945 -13.772 6.748 1.00 0.00 H new ATOM 0 HA LYS A 4 9.784 -12.474 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.280 -12.062 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.304 -11.289 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.968 -9.452 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.342 -9.795 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.130 -9.596 10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.088 -11.322 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.842 -10.240 10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.818 -10.060 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.810 -12.262 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.548 -12.642 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.122 -12.336 10.965 1.00 0.00 H new ATOM 67 N PHE A 5 8.493 -12.161 5.921 1.00 0.00 N ATOM 68 CA PHE A 5 7.654 -11.612 4.855 1.00 0.00 C ATOM 69 C PHE A 5 7.178 -10.210 5.233 1.00 0.00 C ATOM 70 O PHE A 5 6.665 -9.467 4.396 1.00 0.00 O ATOM 71 CB PHE A 5 6.443 -12.532 4.610 1.00 0.00 C ATOM 72 CG PHE A 5 5.507 -12.493 5.805 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.736 -13.324 6.910 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.410 -11.621 5.804 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.873 -13.281 8.010 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.547 -11.578 6.905 1.00 0.00 C ATOM 77 CZ PHE A 5 3.779 -12.408 8.007 1.00 0.00 C ATOM 0 H PHE A 5 8.052 -12.904 6.463 1.00 0.00 H new ATOM 0 HA PHE A 5 8.242 -11.550 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.912 -12.216 3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.782 -13.553 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.580 -13.998 6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.230 -10.981 4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.051 -13.921 8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.703 -10.905 6.904 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.113 -12.375 8.857 1.00 0.00 H new ATOM 87 N ASN A 6 7.359 -9.873 6.511 1.00 0.00 N ATOM 88 CA ASN A 6 6.961 -8.571 7.044 1.00 0.00 C ATOM 89 C ASN A 6 7.598 -7.436 6.244 1.00 0.00 C ATOM 90 O ASN A 6 7.030 -6.349 6.133 1.00 0.00 O ATOM 91 CB ASN A 6 7.381 -8.464 8.513 1.00 0.00 C ATOM 92 CG ASN A 6 6.836 -9.652 9.307 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.552 -10.235 10.120 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.608 -10.051 9.115 1.00 0.00 N ATOM 0 H ASN A 6 7.783 -10.492 7.202 1.00 0.00 H new ATOM 0 HA ASN A 6 5.877 -8.484 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.468 -8.436 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.009 -7.532 8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.242 -10.846 9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.014 -9.568 8.441 1.00 0.00 H new ATOM 101 N LYS A 7 8.782 -7.704 5.686 1.00 0.00 N ATOM 102 CA LYS A 7 9.496 -6.708 4.889 1.00 0.00 C ATOM 103 C LYS A 7 8.637 -6.239 3.719 1.00 0.00 C ATOM 104 O LYS A 7 8.666 -5.067 3.341 1.00 0.00 O ATOM 105 CB LYS A 7 10.808 -7.301 4.360 1.00 0.00 C ATOM 106 CG LYS A 7 11.746 -7.623 5.532 1.00 0.00 C ATOM 107 CD LYS A 7 13.094 -8.118 4.991 1.00 0.00 C ATOM 108 CE LYS A 7 14.002 -8.529 6.155 1.00 0.00 C ATOM 109 NZ LYS A 7 15.344 -8.902 5.627 1.00 0.00 N ATOM 0 H LYS A 7 9.263 -8.599 5.772 1.00 0.00 H new ATOM 0 HA LYS A 7 9.717 -5.852 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.604 -8.206 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.288 -6.596 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.893 -6.736 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.298 -8.384 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.939 -8.965 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.572 -7.333 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.094 -7.708 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.564 -9.370 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.962 -9.181 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.247 -9.698 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.761 -8.088 5.132 1.00 0.00 H new ATOM 123 N GLU A 8 7.869 -7.172 3.167 1.00 0.00 N ATOM 124 CA GLU A 8 6.981 -6.878 2.042 1.00 0.00 C ATOM 125 C GLU A 8 5.900 -5.888 2.462 1.00 0.00 C ATOM 126 O GLU A 8 5.445 -5.067 1.666 1.00 0.00 O ATOM 127 CB GLU A 8 6.342 -8.172 1.518 1.00 0.00 C ATOM 128 CG GLU A 8 5.627 -7.896 0.180 1.00 0.00 C ATOM 129 CD GLU A 8 4.949 -9.161 -0.372 1.00 0.00 C ATOM 130 OE1 GLU A 8 4.807 -10.129 0.362 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.577 -9.138 -1.535 1.00 0.00 O ATOM 0 H GLU A 8 7.842 -8.142 3.480 1.00 0.00 H new ATOM 0 HA GLU A 8 7.570 -6.429 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.107 -8.937 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.631 -8.559 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.880 -7.114 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.347 -7.522 -0.548 1.00 0.00 H new ATOM 138 N LEU A 9 5.496 -5.975 3.720 1.00 0.00 N ATOM 139 CA LEU A 9 4.473 -5.076 4.246 1.00 0.00 C ATOM 140 C LEU A 9 5.042 -3.677 4.414 1.00 0.00 C ATOM 141 O LEU A 9 4.334 -2.691 4.216 1.00 0.00 O ATOM 142 CB LEU A 9 3.927 -5.572 5.596 1.00 0.00 C ATOM 143 CG LEU A 9 3.048 -6.814 5.390 1.00 0.00 C ATOM 144 CD1 LEU A 9 3.910 -7.990 4.927 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.357 -7.176 6.712 1.00 0.00 C ATOM 0 H LEU A 9 5.855 -6.652 4.393 1.00 0.00 H new ATOM 0 HA LEU A 9 3.651 -5.056 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.754 -5.810 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.347 -4.783 6.074 1.00 0.00 H new ATOM 0 HG LEU A 9 2.296 -6.599 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.280 -8.868 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.398 -7.735 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.666 -8.206 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.733 -8.058 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.111 -7.386 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.736 -6.342 7.038 1.00 0.00 H new ATOM 157 N GLY A 10 6.337 -3.597 4.736 1.00 0.00 N ATOM 158 CA GLY A 10 6.996 -2.311 4.887 1.00 0.00 C ATOM 159 C GLY A 10 7.228 -1.743 3.509 1.00 0.00 C ATOM 160 O GLY A 10 7.256 -0.527 3.304 1.00 0.00 O ATOM 0 H GLY A 10 6.939 -4.405 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.380 -1.634 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.942 -2.427 5.416 1.00 0.00 H new ATOM 164 N TRP A 11 7.391 -2.669 2.570 1.00 0.00 N ATOM 165 CA TRP A 11 7.626 -2.328 1.192 1.00 0.00 C ATOM 166 C TRP A 11 6.456 -1.544 0.619 1.00 0.00 C ATOM 167 O TRP A 11 6.626 -0.460 0.079 1.00 0.00 O ATOM 168 CB TRP A 11 7.789 -3.625 0.396 1.00 0.00 C ATOM 169 CG TRP A 11 8.371 -3.305 -0.919 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.679 -3.153 -1.133 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.701 -3.088 -2.189 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.872 -2.819 -2.464 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.677 -2.784 -3.159 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.352 -3.123 -2.586 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.332 -2.520 -4.484 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.000 -2.862 -3.919 1.00 0.00 C ATOM 177 CH2 TRP A 11 6.989 -2.562 -4.867 1.00 0.00 C ATOM 0 H TRP A 11 7.362 -3.672 2.753 1.00 0.00 H new ATOM 0 HA TRP A 11 8.522 -1.711 1.126 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.433 -4.320 0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.824 -4.116 0.272 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.457 -3.271 -0.393 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.783 -2.623 -2.880 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.584 -3.352 -1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.097 -2.285 -5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.962 -2.892 -4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.713 -2.364 -5.892 1.00 0.00 H new ATOM 188 N ALA A 12 5.265 -2.093 0.739 1.00 0.00 N ATOM 189 CA ALA A 12 4.096 -1.411 0.222 1.00 0.00 C ATOM 190 C ALA A 12 3.729 -0.179 1.041 1.00 0.00 C ATOM 191 O ALA A 12 3.173 0.771 0.515 1.00 0.00 O ATOM 192 CB ALA A 12 2.910 -2.349 0.154 1.00 0.00 C ATOM 0 H ALA A 12 5.081 -2.993 1.182 1.00 0.00 H new ATOM 0 HA ALA A 12 4.353 -1.077 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.045 -1.814 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.146 -3.187 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.684 -2.723 1.153 1.00 0.00 H new ATOM 198 N THR A 13 3.991 -0.219 2.340 1.00 0.00 N ATOM 199 CA THR A 13 3.594 0.894 3.202 1.00 0.00 C ATOM 200 C THR A 13 4.213 2.195 2.749 1.00 0.00 C ATOM 201 O THR A 13 3.499 3.180 2.588 1.00 0.00 O ATOM 202 CB THR A 13 3.990 0.626 4.666 1.00 0.00 C ATOM 203 OG1 THR A 13 3.320 -0.533 5.138 1.00 0.00 O ATOM 204 CG2 THR A 13 3.613 1.830 5.543 1.00 0.00 C ATOM 0 H THR A 13 4.465 -0.988 2.815 1.00 0.00 H new ATOM 0 HA THR A 13 2.510 0.979 3.131 1.00 0.00 H new ATOM 0 HB THR A 13 5.068 0.470 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.921 -1.305 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.897 1.631 6.576 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.137 2.717 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.537 1.997 5.488 1.00 0.00 H new ATOM 212 N TRP A 14 5.515 2.192 2.514 1.00 0.00 N ATOM 213 CA TRP A 14 6.178 3.397 2.052 1.00 0.00 C ATOM 214 C TRP A 14 5.748 3.697 0.592 1.00 0.00 C ATOM 215 O TRP A 14 5.543 4.858 0.240 1.00 0.00 O ATOM 216 CB TRP A 14 7.708 3.256 2.227 1.00 0.00 C ATOM 217 CG TRP A 14 8.361 3.417 0.908 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.587 4.583 0.267 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.798 2.372 0.037 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.112 4.301 -0.976 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.263 2.943 -1.156 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.825 0.989 0.174 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.726 2.155 -2.189 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.293 0.192 -0.861 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.738 0.771 -2.042 1.00 0.00 C ATOM 0 H TRP A 14 6.124 1.383 2.633 1.00 0.00 H new ATOM 0 HA TRP A 14 5.877 4.255 2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.078 4.008 2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.950 2.281 2.651 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.390 5.569 0.661 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.357 5.006 -1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.480 0.533 1.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.076 2.608 -3.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.311 -0.882 -0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.094 0.146 -2.848 1.00 0.00 H new ATOM 236 N GLU A 15 5.618 2.644 -0.252 1.00 0.00 N ATOM 237 CA GLU A 15 5.221 2.830 -1.655 1.00 0.00 C ATOM 238 C GLU A 15 3.878 3.540 -1.766 1.00 0.00 C ATOM 239 O GLU A 15 3.719 4.501 -2.522 1.00 0.00 O ATOM 240 CB GLU A 15 5.044 1.448 -2.281 1.00 0.00 C ATOM 241 CG GLU A 15 6.381 0.775 -2.533 1.00 0.00 C ATOM 242 CD GLU A 15 6.938 1.203 -3.891 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.431 2.315 -3.987 1.00 0.00 O ATOM 244 OE2 GLU A 15 6.856 0.417 -4.818 1.00 0.00 O ATOM 0 H GLU A 15 5.781 1.674 0.016 1.00 0.00 H new ATOM 0 HA GLU A 15 5.987 3.425 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.440 0.824 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.499 1.540 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.084 1.039 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.263 -0.308 -2.505 1.00 0.00 H new ATOM 251 N ILE A 16 2.930 3.048 -0.997 1.00 0.00 N ATOM 252 CA ILE A 16 1.579 3.592 -0.956 1.00 0.00 C ATOM 253 C ILE A 16 1.623 4.981 -0.355 1.00 0.00 C ATOM 254 O ILE A 16 1.000 5.913 -0.853 1.00 0.00 O ATOM 255 CB ILE A 16 0.752 2.597 -0.137 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.805 1.278 -0.911 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.717 3.047 0.045 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.139 0.184 -0.104 1.00 0.00 C ATOM 0 H ILE A 16 3.071 2.252 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 16 1.126 3.707 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 16 1.161 2.511 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.304 1.390 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.841 1.010 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.255 2.304 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.742 4.006 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.190 3.149 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.179 -0.753 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.659 0.065 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.901 0.451 0.082 1.00 0.00 H new ATOM 270 N PHE A 17 2.412 5.107 0.692 1.00 0.00 N ATOM 271 CA PHE A 17 2.598 6.395 1.357 1.00 0.00 C ATOM 272 C PHE A 17 3.271 7.415 0.436 1.00 0.00 C ATOM 273 O PHE A 17 3.210 8.620 0.691 1.00 0.00 O ATOM 274 CB PHE A 17 3.473 6.212 2.599 1.00 0.00 C ATOM 275 CG PHE A 17 2.644 6.202 3.867 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.574 7.100 4.039 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.955 5.288 4.879 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.828 7.070 5.221 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.204 5.261 6.056 1.00 0.00 C ATOM 280 CZ PHE A 17 1.140 6.150 6.229 1.00 0.00 C ATOM 0 H PHE A 17 2.938 4.337 1.106 1.00 0.00 H new ATOM 0 HA PHE A 17 1.611 6.768 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.029 5.278 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.207 7.016 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.330 7.809 3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.778 4.601 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.008 7.759 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.446 4.552 6.834 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.559 6.127 7.139 1.00 0.00 H new ATOM 290 N ASN A 18 3.918 6.929 -0.625 1.00 0.00 N ATOM 291 CA ASN A 18 4.610 7.807 -1.565 1.00 0.00 C ATOM 292 C ASN A 18 3.685 8.185 -2.713 1.00 0.00 C ATOM 293 O ASN A 18 4.089 8.199 -3.879 1.00 0.00 O ATOM 294 CB ASN A 18 5.876 7.113 -2.100 1.00 0.00 C ATOM 295 CG ASN A 18 7.001 7.177 -1.068 1.00 0.00 C ATOM 296 OD1 ASN A 18 6.753 7.375 0.123 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.235 7.028 -1.460 1.00 0.00 N ATOM 0 H ASN A 18 3.976 5.936 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 18 4.904 8.719 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.654 6.073 -2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.196 7.592 -3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.995 7.075 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.441 6.864 -2.445 1.00 0.00 H new ATOM 304 N LEU A 19 2.435 8.502 -2.371 1.00 0.00 N ATOM 305 CA LEU A 19 1.461 8.884 -3.368 1.00 0.00 C ATOM 306 C LEU A 19 1.138 10.362 -3.256 1.00 0.00 C ATOM 307 O LEU A 19 1.059 10.908 -2.153 1.00 0.00 O ATOM 308 CB LEU A 19 0.196 8.049 -3.218 1.00 0.00 C ATOM 309 CG LEU A 19 0.410 6.645 -3.813 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.928 5.932 -3.968 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.080 6.740 -5.181 1.00 0.00 C ATOM 0 H LEU A 19 2.084 8.499 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 19 1.884 8.699 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.072 7.968 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.635 8.542 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 19 1.051 6.083 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.765 4.940 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.405 5.838 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.572 6.507 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.223 5.738 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.449 7.318 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.047 7.232 -5.079 1.00 0.00 H new ATOM 323 N PRO A 20 0.999 11.024 -4.378 1.00 0.00 N ATOM 324 CA PRO A 20 0.739 12.478 -4.409 1.00 0.00 C ATOM 325 C PRO A 20 -0.579 12.946 -3.771 1.00 0.00 C ATOM 326 O PRO A 20 -0.718 14.150 -3.536 1.00 0.00 O ATOM 327 CB PRO A 20 0.765 12.873 -5.893 1.00 0.00 C ATOM 328 CG PRO A 20 1.028 11.635 -6.690 1.00 0.00 C ATOM 329 CD PRO A 20 1.087 10.448 -5.733 1.00 0.00 C ATOM 0 HA PRO A 20 1.502 12.963 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.184 13.322 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.540 13.618 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.242 11.486 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.966 11.728 -7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.266 9.755 -5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.013 9.887 -5.861 1.00 0.00 H new ATOM 337 N ASN A 21 -1.566 12.059 -3.527 1.00 0.00 N ATOM 338 CA ASN A 21 -2.834 12.547 -2.967 1.00 0.00 C ATOM 339 C ASN A 21 -3.403 11.647 -1.875 1.00 0.00 C ATOM 340 O ASN A 21 -4.557 11.823 -1.483 1.00 0.00 O ATOM 341 CB ASN A 21 -3.857 12.696 -4.095 1.00 0.00 C ATOM 342 CG ASN A 21 -3.323 13.646 -5.162 1.00 0.00 C ATOM 343 OD1 ASN A 21 -3.469 14.861 -5.042 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.704 13.162 -6.197 1.00 0.00 N ATOM 0 H ASN A 21 -1.514 11.055 -3.699 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.626 13.509 -2.498 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.068 11.722 -4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.798 13.076 -3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.338 13.790 -6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.584 12.154 -6.294 1.00 0.00 H new ATOM 351 N LEU A 22 -2.617 10.693 -1.375 1.00 0.00 N ATOM 352 CA LEU A 22 -3.108 9.809 -0.339 1.00 0.00 C ATOM 353 C LEU A 22 -3.239 10.497 1.010 1.00 0.00 C ATOM 354 O LEU A 22 -2.550 11.476 1.302 1.00 0.00 O ATOM 355 CB LEU A 22 -2.154 8.637 -0.161 1.00 0.00 C ATOM 356 CG LEU A 22 -2.456 7.486 -1.130 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.797 6.210 -0.606 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.961 7.239 -1.265 1.00 0.00 C ATOM 0 H LEU A 22 -1.656 10.521 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.095 9.480 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.130 8.979 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.218 8.272 0.864 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.063 7.758 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.006 5.386 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.719 6.359 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.195 5.974 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.134 6.417 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.377 6.984 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.445 8.140 -1.642 1.00 0.00 H new ATOM 370 N ASN A 23 -4.101 9.914 1.844 1.00 0.00 N ATOM 371 CA ASN A 23 -4.315 10.390 3.198 1.00 0.00 C ATOM 372 C ASN A 23 -3.834 9.311 4.150 1.00 0.00 C ATOM 373 O ASN A 23 -3.914 8.123 3.827 1.00 0.00 O ATOM 374 CB ASN A 23 -5.804 10.647 3.458 1.00 0.00 C ATOM 375 CG ASN A 23 -6.357 11.719 2.523 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.617 12.350 1.768 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.633 11.965 2.545 1.00 0.00 N ATOM 0 H ASN A 23 -4.665 9.102 1.595 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.772 11.324 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.363 9.721 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.946 10.957 4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.025 12.683 1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.243 11.440 3.172 1.00 0.00 H new ATOM 384 N GLY A 24 -3.358 9.714 5.324 1.00 0.00 N ATOM 385 CA GLY A 24 -2.893 8.754 6.318 1.00 0.00 C ATOM 386 C GLY A 24 -3.960 7.689 6.561 1.00 0.00 C ATOM 387 O GLY A 24 -3.653 6.574 6.968 1.00 0.00 O ATOM 0 H GLY A 24 -3.285 10.691 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.971 8.284 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.663 9.268 7.251 1.00 0.00 H new ATOM 391 N VAL A 25 -5.217 8.049 6.288 1.00 0.00 N ATOM 392 CA VAL A 25 -6.331 7.127 6.463 1.00 0.00 C ATOM 393 C VAL A 25 -6.339 6.067 5.361 1.00 0.00 C ATOM 394 O VAL A 25 -6.433 4.871 5.641 1.00 0.00 O ATOM 395 CB VAL A 25 -7.647 7.915 6.422 1.00 0.00 C ATOM 396 CG1 VAL A 25 -8.831 6.953 6.588 1.00 0.00 C ATOM 397 CG2 VAL A 25 -7.661 8.943 7.561 1.00 0.00 C ATOM 0 H VAL A 25 -5.484 8.972 5.946 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.222 6.625 7.424 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.731 8.429 5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.764 7.516 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.822 6.222 5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.749 6.437 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.595 9.504 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.575 8.427 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.822 9.629 7.442 1.00 0.00 H new ATOM 407 N GLN A 26 -6.265 6.524 4.108 1.00 0.00 N ATOM 408 CA GLN A 26 -6.294 5.637 2.960 1.00 0.00 C ATOM 409 C GLN A 26 -5.032 4.807 2.853 1.00 0.00 C ATOM 410 O GLN A 26 -5.097 3.618 2.551 1.00 0.00 O ATOM 411 CB GLN A 26 -6.524 6.487 1.728 1.00 0.00 C ATOM 412 CG GLN A 26 -7.820 7.278 1.966 1.00 0.00 C ATOM 413 CD GLN A 26 -8.859 6.953 0.916 1.00 0.00 C ATOM 414 OE1 GLN A 26 -9.426 5.861 0.907 1.00 0.00 O ATOM 415 NE2 GLN A 26 -9.139 7.847 0.029 1.00 0.00 N ATOM 0 H GLN A 26 -6.184 7.513 3.870 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.104 4.916 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.684 7.162 1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.611 5.863 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.214 7.046 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.605 8.347 1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.663 8.749 0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.837 7.652 -0.689 1.00 0.00 H new ATOM 424 N VAL A 27 -3.890 5.424 3.134 1.00 0.00 N ATOM 425 CA VAL A 27 -2.626 4.706 3.086 1.00 0.00 C ATOM 426 C VAL A 27 -2.679 3.539 4.059 1.00 0.00 C ATOM 427 O VAL A 27 -2.410 2.394 3.690 1.00 0.00 O ATOM 428 CB VAL A 27 -1.477 5.637 3.471 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.156 4.870 3.357 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.464 6.858 2.541 1.00 0.00 C ATOM 0 H VAL A 27 -3.815 6.407 3.394 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.460 4.339 2.073 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.608 5.983 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.670 5.526 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.175 4.012 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.023 4.526 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.643 7.519 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.331 6.529 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.408 7.395 2.632 1.00 0.00 H new ATOM 440 N LYS A 28 -3.079 3.849 5.291 1.00 0.00 N ATOM 441 CA LYS A 28 -3.224 2.841 6.331 1.00 0.00 C ATOM 442 C LYS A 28 -4.194 1.770 5.870 1.00 0.00 C ATOM 443 O LYS A 28 -4.037 0.609 6.207 1.00 0.00 O ATOM 444 CB LYS A 28 -3.702 3.471 7.646 1.00 0.00 C ATOM 445 CG LYS A 28 -2.568 4.304 8.271 1.00 0.00 C ATOM 446 CD LYS A 28 -1.491 3.379 8.861 1.00 0.00 C ATOM 447 CE LYS A 28 -0.484 4.204 9.670 1.00 0.00 C ATOM 448 NZ LYS A 28 -1.121 4.672 10.933 1.00 0.00 N ATOM 0 H LYS A 28 -3.309 4.796 5.591 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.250 2.387 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.570 4.103 7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.017 2.691 8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.126 4.953 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.970 4.950 9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.955 2.627 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.978 2.846 8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.396 3.602 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.144 5.058 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.383 4.942 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.725 5.495 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.700 3.907 11.334 1.00 0.00 H new ATOM 462 N ALA A 29 -5.194 2.183 5.094 1.00 0.00 N ATOM 463 CA ALA A 29 -6.192 1.266 4.571 1.00 0.00 C ATOM 464 C ALA A 29 -5.540 0.240 3.653 1.00 0.00 C ATOM 465 O ALA A 29 -5.883 -0.945 3.688 1.00 0.00 O ATOM 466 CB ALA A 29 -7.243 2.050 3.784 1.00 0.00 C ATOM 0 H ALA A 29 -5.331 3.154 4.815 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.664 0.747 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.992 1.362 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.725 2.774 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.763 2.574 2.957 1.00 0.00 H new ATOM 472 N PHE A 30 -4.589 0.698 2.833 1.00 0.00 N ATOM 473 CA PHE A 30 -3.898 -0.181 1.928 1.00 0.00 C ATOM 474 C PHE A 30 -2.937 -1.046 2.710 1.00 0.00 C ATOM 475 O PHE A 30 -2.828 -2.247 2.481 1.00 0.00 O ATOM 476 CB PHE A 30 -3.213 0.650 0.853 1.00 0.00 C ATOM 477 CG PHE A 30 -4.301 1.380 0.099 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.324 0.648 -0.522 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.327 2.774 0.068 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.364 1.312 -1.165 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.359 3.435 -0.584 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.383 2.702 -1.199 1.00 0.00 C ATOM 0 H PHE A 30 -4.292 1.673 2.789 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.593 -0.852 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.513 1.356 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.639 0.013 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.304 -0.432 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.544 3.339 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.155 0.749 -1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.373 4.514 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.189 3.218 -1.700 1.00 0.00 H new ATOM 492 N ILE A 31 -2.294 -0.422 3.683 1.00 0.00 N ATOM 493 CA ILE A 31 -1.386 -1.118 4.574 1.00 0.00 C ATOM 494 C ILE A 31 -2.184 -2.094 5.435 1.00 0.00 C ATOM 495 O ILE A 31 -1.709 -3.174 5.783 1.00 0.00 O ATOM 496 CB ILE A 31 -0.605 -0.095 5.392 1.00 0.00 C ATOM 497 CG1 ILE A 31 0.311 0.661 4.421 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.249 -0.787 6.466 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.452 2.110 4.848 1.00 0.00 C ATOM 0 H ILE A 31 -2.387 0.575 3.875 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.656 -1.705 4.017 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.294 0.581 5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.292 0.187 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.097 0.611 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.796 -0.036 7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.398 -1.351 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.956 -1.465 5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.105 2.633 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.529 2.585 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.882 2.154 5.849 1.00 0.00 H new ATOM 511 N ASP A 32 -3.422 -1.717 5.751 1.00 0.00 N ATOM 512 CA ASP A 32 -4.288 -2.604 6.526 1.00 0.00 C ATOM 513 C ASP A 32 -4.459 -3.904 5.735 1.00 0.00 C ATOM 514 O ASP A 32 -4.414 -5.004 6.291 1.00 0.00 O ATOM 515 CB ASP A 32 -5.661 -1.955 6.761 1.00 0.00 C ATOM 516 CG ASP A 32 -6.496 -2.812 7.714 1.00 0.00 C ATOM 517 OD1 ASP A 32 -7.068 -3.789 7.257 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.553 -2.478 8.885 1.00 0.00 O ATOM 0 H ASP A 32 -3.841 -0.824 5.490 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.838 -2.800 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.532 -0.956 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.184 -1.840 5.812 1.00 0.00 H new ATOM 523 N SER A 33 -4.621 -3.741 4.417 1.00 0.00 N ATOM 524 CA SER A 33 -4.769 -4.867 3.498 1.00 0.00 C ATOM 525 C SER A 33 -3.457 -5.652 3.385 1.00 0.00 C ATOM 526 O SER A 33 -3.468 -6.850 3.103 1.00 0.00 O ATOM 527 CB SER A 33 -5.195 -4.362 2.118 1.00 0.00 C ATOM 528 OG SER A 33 -6.346 -3.539 2.252 1.00 0.00 O ATOM 0 H SER A 33 -4.653 -2.828 3.963 1.00 0.00 H new ATOM 0 HA SER A 33 -5.537 -5.533 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.383 -3.799 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.411 -5.204 1.461 1.00 0.00 H new ATOM 0 HG SER A 33 -6.089 -2.679 2.645 1.00 0.00 H new ATOM 534 N LEU A 34 -2.329 -4.961 3.601 1.00 0.00 N ATOM 535 CA LEU A 34 -1.005 -5.598 3.520 1.00 0.00 C ATOM 536 C LEU A 34 -0.936 -6.766 4.500 1.00 0.00 C ATOM 537 O LEU A 34 -0.469 -7.855 4.167 1.00 0.00 O ATOM 538 CB LEU A 34 0.099 -4.584 3.921 1.00 0.00 C ATOM 539 CG LEU A 34 1.054 -4.254 2.778 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.465 -5.524 2.027 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.358 -3.251 1.859 1.00 0.00 C ATOM 0 H LEU A 34 -2.305 -3.968 3.832 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.852 -5.942 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.371 -3.665 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.669 -4.989 4.757 1.00 0.00 H new ATOM 0 HG LEU A 34 1.973 -3.814 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.146 -5.263 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.964 -6.208 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.578 -6.006 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.019 -2.996 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.560 -3.691 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.117 -2.349 2.421 1.00 0.00 H new ATOM 553 N ARG A 35 -1.417 -6.508 5.708 1.00 0.00 N ATOM 554 CA ARG A 35 -1.442 -7.512 6.771 1.00 0.00 C ATOM 555 C ARG A 35 -2.396 -8.637 6.400 1.00 0.00 C ATOM 556 O ARG A 35 -2.119 -9.817 6.628 1.00 0.00 O ATOM 557 CB ARG A 35 -1.931 -6.865 8.068 1.00 0.00 C ATOM 558 CG ARG A 35 -0.970 -5.747 8.510 1.00 0.00 C ATOM 559 CD ARG A 35 -1.763 -4.600 9.152 1.00 0.00 C ATOM 560 NE ARG A 35 -2.920 -5.119 9.883 1.00 0.00 N ATOM 561 CZ ARG A 35 -4.123 -4.572 9.751 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.394 -3.448 10.347 1.00 0.00 N ATOM 563 NH2 ARG A 35 -5.030 -5.163 9.025 1.00 0.00 N ATOM 0 H ARG A 35 -1.800 -5.603 5.981 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.437 -7.912 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.931 -6.456 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.006 -7.619 8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.243 -6.140 9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.409 -5.377 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.119 -4.040 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.095 -3.904 8.381 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.800 -5.917 10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.683 -2.988 10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.318 -3.027 10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.815 -6.045 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.954 -4.744 8.923 1.00 0.00 H new ATOM 577 N ASP A 36 -3.525 -8.236 5.826 1.00 0.00 N ATOM 578 CA ASP A 36 -4.564 -9.163 5.403 1.00 0.00 C ATOM 579 C ASP A 36 -4.059 -10.039 4.262 1.00 0.00 C ATOM 580 O ASP A 36 -4.505 -11.175 4.087 1.00 0.00 O ATOM 581 CB ASP A 36 -5.793 -8.357 4.956 1.00 0.00 C ATOM 582 CG ASP A 36 -6.302 -7.447 6.088 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.073 -7.762 7.249 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.914 -6.440 5.775 1.00 0.00 O ATOM 0 H ASP A 36 -3.744 -7.257 5.641 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.836 -9.814 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.538 -7.752 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.586 -9.038 4.649 1.00 0.00 H new ATOM 589 N ASP A 37 -3.115 -9.491 3.508 1.00 0.00 N ATOM 590 CA ASP A 37 -2.508 -10.187 2.387 1.00 0.00 C ATOM 591 C ASP A 37 -1.243 -9.460 1.957 1.00 0.00 C ATOM 592 O ASP A 37 -1.305 -8.374 1.372 1.00 0.00 O ATOM 593 CB ASP A 37 -3.476 -10.290 1.205 1.00 0.00 C ATOM 594 CG ASP A 37 -3.019 -11.387 0.235 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.825 -11.489 -0.007 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.872 -12.106 -0.257 1.00 0.00 O ATOM 0 H ASP A 37 -2.750 -8.551 3.659 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.260 -11.199 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.480 -10.511 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.528 -9.334 0.685 1.00 0.00 H new ATOM 601 N PRO A 38 -0.101 -10.029 2.243 1.00 0.00 N ATOM 602 CA PRO A 38 1.206 -9.424 1.891 1.00 0.00 C ATOM 603 C PRO A 38 1.528 -9.505 0.401 1.00 0.00 C ATOM 604 O PRO A 38 2.220 -8.634 -0.126 1.00 0.00 O ATOM 605 CB PRO A 38 2.222 -10.209 2.732 1.00 0.00 C ATOM 606 CG PRO A 38 1.450 -11.188 3.557 1.00 0.00 C ATOM 607 CD PRO A 38 0.080 -11.317 2.931 1.00 0.00 C ATOM 0 HA PRO A 38 1.216 -8.354 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.936 -10.725 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.795 -9.536 3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.955 -12.154 3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.371 -10.844 4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.033 -12.155 2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.692 -11.483 3.683 1.00 0.00 H new ATOM 615 N SER A 39 1.014 -10.533 -0.277 1.00 0.00 N ATOM 616 CA SER A 39 1.267 -10.688 -1.711 1.00 0.00 C ATOM 617 C SER A 39 0.570 -9.578 -2.488 1.00 0.00 C ATOM 618 O SER A 39 0.982 -9.217 -3.592 1.00 0.00 O ATOM 619 CB SER A 39 0.775 -12.058 -2.201 1.00 0.00 C ATOM 620 OG SER A 39 -0.640 -12.043 -2.347 1.00 0.00 O ATOM 0 H SER A 39 0.429 -11.260 0.135 1.00 0.00 H new ATOM 0 HA SER A 39 2.342 -10.623 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.245 -12.303 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.068 -12.833 -1.493 1.00 0.00 H new ATOM 0 HG SER A 39 -1.052 -11.747 -1.509 1.00 0.00 H new ATOM 626 N GLN A 40 -0.493 -9.050 -1.889 1.00 0.00 N ATOM 627 CA GLN A 40 -1.271 -7.984 -2.499 1.00 0.00 C ATOM 628 C GLN A 40 -0.563 -6.652 -2.450 1.00 0.00 C ATOM 629 O GLN A 40 -1.026 -5.718 -3.070 1.00 0.00 O ATOM 630 CB GLN A 40 -2.626 -7.842 -1.796 1.00 0.00 C ATOM 631 CG GLN A 40 -3.480 -9.089 -2.027 1.00 0.00 C ATOM 632 CD GLN A 40 -3.897 -9.189 -3.493 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.524 -8.274 -4.028 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.581 -10.253 -4.179 1.00 0.00 N ATOM 0 H GLN A 40 -0.835 -9.348 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.409 -8.262 -3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.474 -7.690 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.147 -6.962 -2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.919 -9.979 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.366 -9.053 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.062 -11.010 -3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.853 -10.327 -5.159 1.00 0.00 H new ATOM 643 N SER A 41 0.537 -6.557 -1.712 1.00 0.00 N ATOM 644 CA SER A 41 1.242 -5.292 -1.554 1.00 0.00 C ATOM 645 C SER A 41 1.277 -4.477 -2.844 1.00 0.00 C ATOM 646 O SER A 41 1.038 -3.276 -2.806 1.00 0.00 O ATOM 647 CB SER A 41 2.676 -5.591 -1.099 1.00 0.00 C ATOM 648 OG SER A 41 3.347 -6.336 -2.109 1.00 0.00 O ATOM 0 H SER A 41 0.959 -7.341 -1.214 1.00 0.00 H new ATOM 0 HA SER A 41 0.708 -4.696 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.209 -4.660 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.663 -6.153 -0.165 1.00 0.00 H new ATOM 0 HG SER A 41 3.662 -7.185 -1.734 1.00 0.00 H new ATOM 654 N ALA A 42 1.515 -5.127 -3.973 1.00 0.00 N ATOM 655 CA ALA A 42 1.534 -4.439 -5.253 1.00 0.00 C ATOM 656 C ALA A 42 0.129 -3.984 -5.658 1.00 0.00 C ATOM 657 O ALA A 42 -0.050 -2.930 -6.266 1.00 0.00 O ATOM 658 CB ALA A 42 2.086 -5.380 -6.311 1.00 0.00 C ATOM 0 H ALA A 42 1.697 -6.129 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 42 2.165 -3.555 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.104 -4.873 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.098 -5.679 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.452 -6.264 -6.378 1.00 0.00 H new ATOM 664 N ASN A 43 -0.858 -4.797 -5.302 1.00 0.00 N ATOM 665 CA ASN A 43 -2.250 -4.511 -5.585 1.00 0.00 C ATOM 666 C ASN A 43 -2.736 -3.374 -4.701 1.00 0.00 C ATOM 667 O ASN A 43 -3.460 -2.496 -5.133 1.00 0.00 O ATOM 668 CB ASN A 43 -3.095 -5.756 -5.347 1.00 0.00 C ATOM 669 CG ASN A 43 -4.524 -5.525 -5.821 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.768 -5.333 -7.012 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.486 -5.529 -4.946 1.00 0.00 N ATOM 0 H ASN A 43 -0.710 -5.676 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.346 -4.213 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.662 -6.604 -5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.093 -6.008 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.448 -5.373 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.278 -5.689 -3.960 1.00 0.00 H new ATOM 678 N LEU A 44 -2.292 -3.414 -3.454 1.00 0.00 N ATOM 679 CA LEU A 44 -2.619 -2.409 -2.463 1.00 0.00 C ATOM 680 C LEU A 44 -2.045 -1.121 -2.957 1.00 0.00 C ATOM 681 O LEU A 44 -2.673 -0.074 -2.888 1.00 0.00 O ATOM 682 CB LEU A 44 -2.037 -2.852 -1.113 1.00 0.00 C ATOM 683 CG LEU A 44 -2.498 -4.296 -0.880 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.088 -4.838 0.464 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.994 -4.376 -1.024 1.00 0.00 C ATOM 0 H LEU A 44 -1.687 -4.156 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.691 -2.279 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.949 -2.791 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.385 -2.202 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.007 -4.913 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.444 -5.863 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.001 -4.821 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.521 -4.222 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.321 -5.402 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.466 -3.722 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.280 -4.062 -2.028 1.00 0.00 H new ATOM 697 N LEU A 45 -0.873 -1.269 -3.553 1.00 0.00 N ATOM 698 CA LEU A 45 -0.187 -0.177 -4.197 1.00 0.00 C ATOM 699 C LEU A 45 -1.055 0.327 -5.328 1.00 0.00 C ATOM 700 O LEU A 45 -1.234 1.523 -5.528 1.00 0.00 O ATOM 701 CB LEU A 45 1.084 -0.710 -4.860 1.00 0.00 C ATOM 702 CG LEU A 45 2.348 -0.163 -4.255 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.247 1.356 -4.034 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.537 -0.948 -2.976 1.00 0.00 C ATOM 0 H LEU A 45 -0.374 -2.157 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 45 0.032 0.597 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.095 -1.797 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.062 -0.464 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 45 3.214 -0.279 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.175 1.722 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.076 1.852 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.418 1.571 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.442 -0.609 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.678 -0.793 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.628 -2.009 -3.210 1.00 0.00 H new ATOM 716 N ALA A 46 -1.561 -0.656 -6.073 1.00 0.00 N ATOM 717 CA ALA A 46 -2.395 -0.416 -7.239 1.00 0.00 C ATOM 718 C ALA A 46 -3.640 0.323 -6.836 1.00 0.00 C ATOM 719 O ALA A 46 -4.017 1.324 -7.436 1.00 0.00 O ATOM 720 CB ALA A 46 -2.797 -1.760 -7.845 1.00 0.00 C ATOM 0 H ALA A 46 -1.400 -1.644 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.838 0.178 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.423 -1.591 -8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.902 -2.309 -8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.353 -2.340 -7.108 1.00 0.00 H new ATOM 726 N GLU A 47 -4.238 -0.179 -5.777 1.00 0.00 N ATOM 727 CA GLU A 47 -5.414 0.396 -5.216 1.00 0.00 C ATOM 728 C GLU A 47 -5.089 1.771 -4.684 1.00 0.00 C ATOM 729 O GLU A 47 -5.910 2.679 -4.717 1.00 0.00 O ATOM 730 CB GLU A 47 -5.855 -0.503 -4.088 1.00 0.00 C ATOM 731 CG GLU A 47 -6.470 -1.813 -4.624 1.00 0.00 C ATOM 732 CD GLU A 47 -7.560 -1.528 -5.663 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.493 -0.810 -5.341 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.443 -2.036 -6.767 1.00 0.00 O ATOM 0 H GLU A 47 -3.907 -1.009 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.204 0.490 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.003 -0.734 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.586 0.018 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.689 -2.428 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.892 -2.385 -3.798 1.00 0.00 H new ATOM 741 N ALA A 48 -3.860 1.896 -4.211 1.00 0.00 N ATOM 742 CA ALA A 48 -3.363 3.146 -3.677 1.00 0.00 C ATOM 743 C ALA A 48 -3.245 4.160 -4.792 1.00 0.00 C ATOM 744 O ALA A 48 -3.678 5.296 -4.646 1.00 0.00 O ATOM 745 CB ALA A 48 -1.981 2.923 -3.070 1.00 0.00 C ATOM 0 H ALA A 48 -3.183 1.134 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.052 3.511 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.605 3.863 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.050 2.187 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.300 2.559 -3.840 1.00 0.00 H new ATOM 751 N LYS A 49 -2.681 3.728 -5.922 1.00 0.00 N ATOM 752 CA LYS A 49 -2.549 4.614 -7.075 1.00 0.00 C ATOM 753 C LYS A 49 -3.932 4.999 -7.529 1.00 0.00 C ATOM 754 O LYS A 49 -4.188 6.140 -7.889 1.00 0.00 O ATOM 755 CB LYS A 49 -1.825 3.903 -8.206 1.00 0.00 C ATOM 756 CG LYS A 49 -0.327 3.838 -7.888 1.00 0.00 C ATOM 757 CD LYS A 49 0.173 2.410 -8.078 1.00 0.00 C ATOM 758 CE LYS A 49 1.575 2.280 -7.476 1.00 0.00 C ATOM 759 NZ LYS A 49 2.051 0.875 -7.619 1.00 0.00 N ATOM 0 H LYS A 49 -2.315 2.786 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.974 5.498 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.225 2.897 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.986 4.432 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.223 4.517 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.148 4.164 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.508 1.707 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.195 2.158 -9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.262 2.961 -7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.558 2.564 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.568 0.594 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.235 0.244 -7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.683 0.805 -8.442 1.00 0.00 H new ATOM 773 N LYS A 50 -4.823 4.020 -7.457 1.00 0.00 N ATOM 774 CA LYS A 50 -6.218 4.226 -7.817 1.00 0.00 C ATOM 775 C LYS A 50 -6.851 5.200 -6.841 1.00 0.00 C ATOM 776 O LYS A 50 -7.658 6.052 -7.217 1.00 0.00 O ATOM 777 CB LYS A 50 -6.973 2.894 -7.791 1.00 0.00 C ATOM 778 CG LYS A 50 -6.564 2.050 -8.998 1.00 0.00 C ATOM 779 CD LYS A 50 -7.264 0.688 -8.932 1.00 0.00 C ATOM 780 CE LYS A 50 -6.537 -0.303 -9.843 1.00 0.00 C ATOM 781 NZ LYS A 50 -5.760 -1.263 -9.007 1.00 0.00 N ATOM 0 H LYS A 50 -4.603 3.072 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.272 4.636 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.753 2.358 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.048 3.073 -7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.832 2.564 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.483 1.914 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.269 0.319 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.305 0.787 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.256 -0.841 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.870 0.230 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.251 -1.928 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.077 -0.740 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.410 -1.791 -8.391 1.00 0.00 H new ATOM 795 N LEU A 51 -6.456 5.054 -5.583 1.00 0.00 N ATOM 796 CA LEU A 51 -6.956 5.905 -4.517 1.00 0.00 C ATOM 797 C LEU A 51 -6.400 7.315 -4.674 1.00 0.00 C ATOM 798 O LEU A 51 -7.138 8.299 -4.632 1.00 0.00 O ATOM 799 CB LEU A 51 -6.539 5.294 -3.168 1.00 0.00 C ATOM 800 CG LEU A 51 -7.412 5.824 -2.021 1.00 0.00 C ATOM 801 CD1 LEU A 51 -7.108 7.300 -1.788 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.898 5.624 -2.354 1.00 0.00 C ATOM 0 H LEU A 51 -5.786 4.348 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.043 5.969 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.620 4.208 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.493 5.527 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.188 5.270 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.728 7.675 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.056 7.418 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.322 7.863 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.509 6.003 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.142 6.165 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.099 4.562 -2.496 1.00 0.00 H new ATOM 814 N ASN A 52 -5.093 7.389 -4.880 1.00 0.00 N ATOM 815 CA ASN A 52 -4.415 8.657 -5.077 1.00 0.00 C ATOM 816 C ASN A 52 -4.928 9.320 -6.340 1.00 0.00 C ATOM 817 O ASN A 52 -5.177 10.515 -6.354 1.00 0.00 O ATOM 818 CB ASN A 52 -2.914 8.408 -5.177 1.00 0.00 C ATOM 819 CG ASN A 52 -2.229 9.445 -6.067 1.00 0.00 C ATOM 820 OD1 ASN A 52 -2.039 10.585 -5.659 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.853 9.109 -7.269 1.00 0.00 N ATOM 0 H ASN A 52 -4.478 6.576 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.613 9.319 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.473 8.435 -4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.736 7.410 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.400 9.795 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.012 8.160 -7.606 1.00 0.00 H new ATOM 828 N ASP A 53 -5.087 8.519 -7.392 1.00 0.00 N ATOM 829 CA ASP A 53 -5.584 9.027 -8.662 1.00 0.00 C ATOM 830 C ASP A 53 -6.959 9.630 -8.459 1.00 0.00 C ATOM 831 O ASP A 53 -7.283 10.686 -9.007 1.00 0.00 O ATOM 832 CB ASP A 53 -5.640 7.896 -9.705 1.00 0.00 C ATOM 833 CG ASP A 53 -4.244 7.565 -10.260 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.277 8.201 -9.863 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.165 6.666 -11.080 1.00 0.00 O ATOM 0 H ASP A 53 -4.879 7.520 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.907 9.797 -9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.072 7.004 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.297 8.188 -10.524 1.00 0.00 H new ATOM 840 N ALA A 54 -7.739 8.958 -7.629 1.00 0.00 N ATOM 841 CA ALA A 54 -9.069 9.415 -7.284 1.00 0.00 C ATOM 842 C ALA A 54 -8.965 10.685 -6.444 1.00 0.00 C ATOM 843 O ALA A 54 -9.807 11.580 -6.545 1.00 0.00 O ATOM 844 CB ALA A 54 -9.807 8.326 -6.504 1.00 0.00 C ATOM 0 H ALA A 54 -7.467 8.084 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.627 9.632 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.807 8.676 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.883 7.428 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.258 8.097 -5.591 1.00 0.00 H new ATOM 850 N GLN A 55 -7.908 10.754 -5.624 1.00 0.00 N ATOM 851 CA GLN A 55 -7.671 11.919 -4.772 1.00 0.00 C ATOM 852 C GLN A 55 -6.855 12.978 -5.518 1.00 0.00 C ATOM 853 O GLN A 55 -6.608 14.067 -4.997 1.00 0.00 O ATOM 854 CB GLN A 55 -6.953 11.477 -3.489 1.00 0.00 C ATOM 855 CG GLN A 55 -7.989 10.876 -2.526 1.00 0.00 C ATOM 856 CD GLN A 55 -7.374 10.627 -1.154 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.892 11.098 -0.143 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.297 9.909 -1.058 1.00 0.00 N ATOM 0 H GLN A 55 -7.208 10.018 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.628 12.367 -4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.182 10.742 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.453 12.327 -3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.839 11.552 -2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.371 9.940 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.868 9.519 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.880 9.735 -0.144 1.00 0.00 H new ATOM 867 N ALA A 56 -6.447 12.642 -6.744 1.00 0.00 N ATOM 868 CA ALA A 56 -5.664 13.545 -7.580 1.00 0.00 C ATOM 869 C ALA A 56 -6.566 14.311 -8.532 1.00 0.00 C ATOM 870 O ALA A 56 -7.738 13.965 -8.704 1.00 0.00 O ATOM 871 CB ALA A 56 -4.642 12.741 -8.390 1.00 0.00 C ATOM 0 H ALA A 56 -6.650 11.742 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.149 14.255 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.058 13.418 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.976 12.209 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.163 12.023 -9.023 1.00 0.00 H new ATOM 877 N PRO A 57 -6.040 15.339 -9.157 1.00 0.00 N ATOM 878 CA PRO A 57 -6.802 16.177 -10.120 1.00 0.00 C ATOM 879 C PRO A 57 -6.880 15.516 -11.497 1.00 0.00 C ATOM 880 O PRO A 57 -6.907 16.184 -12.534 1.00 0.00 O ATOM 881 CB PRO A 57 -6.007 17.497 -10.157 1.00 0.00 C ATOM 882 CG PRO A 57 -4.836 17.324 -9.237 1.00 0.00 C ATOM 883 CD PRO A 57 -4.667 15.833 -9.023 1.00 0.00 C ATOM 0 HA PRO A 57 -7.841 16.325 -9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.673 17.719 -11.171 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.630 18.332 -9.837 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.935 17.757 -9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.010 17.834 -8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.001 15.389 -9.763 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.248 15.608 -8.042 1.00 0.00 H new ATOM 891 N LYS A 58 -6.919 14.191 -11.474 1.00 0.00 N ATOM 892 CA LYS A 58 -6.994 13.386 -12.691 1.00 0.00 C ATOM 893 C LYS A 58 -8.450 13.201 -13.125 1.00 0.00 C ATOM 894 O LYS A 58 -8.719 13.345 -14.306 1.00 0.00 O ATOM 895 CB LYS A 58 -6.352 12.013 -12.440 1.00 0.00 C ATOM 896 CG LYS A 58 -4.842 12.179 -12.204 1.00 0.00 C ATOM 897 CD LYS A 58 -4.227 10.845 -11.753 1.00 0.00 C ATOM 898 CE LYS A 58 -4.219 9.837 -12.911 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.434 8.978 -12.835 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.273 12.917 -12.269 1.00 0.00 O ATOM 0 H LYS A 58 -6.900 13.642 -10.614 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.456 13.903 -13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.814 11.538 -11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.526 11.358 -13.294 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.359 12.520 -13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.666 12.943 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.209 11.009 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.795 10.441 -10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.193 10.364 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.322 9.220 -12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.160 8.012 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.088 9.364 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.904 8.958 -13.763 1.00 0.00 H new TER 914 LYS A 58