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 26 GLN : amide:sc= -11.8! C(o=-19!,f=-7.1!) USER MOD Set 1.2: A 55 GLN : amide:sc= -6.88! K(o=-19!,f=-7.1) USER MOD Set 2.1: A 21 ASN : amide:sc= -3.51 K(o=-6.3,f=-2.5) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.76 K(o=-6.3,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 140:sc= 0.0145 (180deg=-0.31) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.109) USER MOD Single : A 6 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.042) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.15) USER MOD Single : A 13 THR OG1 : rot 63:sc= 0.733 USER MOD Single : A 18 ASN : amide:sc= -1.98 X(o=-2,f=-1.9) USER MOD Single : A 23 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.021) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0.893) USER MOD Single : A 33 SER OG : rot 73:sc= 0.82 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.036) USER MOD Single : A 41 SER OG : rot -86:sc= 0.571 USER MOD Single : A 43 ASN : amide:sc= -0.0308 K(o=-0.031,f=-0.96!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= 1.03 (180deg=-0.172) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 1.5 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.774 -15.879 12.783 1.00 0.00 N ATOM 2 CA VAL A 1 10.623 -16.474 11.425 1.00 0.00 C ATOM 3 C VAL A 1 11.982 -16.468 10.717 1.00 0.00 C ATOM 4 O VAL A 1 12.777 -15.541 10.889 1.00 0.00 O ATOM 5 CB VAL A 1 9.580 -15.664 10.628 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.070 -14.223 10.410 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.328 -16.333 9.267 1.00 0.00 C ATOM 0 H1 VAL A 1 9.952 -15.278 12.992 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.836 -16.639 13.490 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.640 -15.305 12.816 1.00 0.00 H new ATOM 0 HA VAL A 1 10.277 -17.505 11.500 1.00 0.00 H new ATOM 0 HB VAL A 1 8.651 -15.638 11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.322 -13.666 9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 1 10.229 -13.743 11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.007 -14.238 9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.590 -15.756 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.260 -16.373 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.955 -17.345 9.423 1.00 0.00 H new ATOM 19 N ASP A 2 12.236 -17.513 9.928 1.00 0.00 N ATOM 20 CA ASP A 2 13.498 -17.636 9.194 1.00 0.00 C ATOM 21 C ASP A 2 13.656 -16.498 8.183 1.00 0.00 C ATOM 22 O ASP A 2 14.749 -15.951 8.015 1.00 0.00 O ATOM 23 CB ASP A 2 13.539 -18.986 8.464 1.00 0.00 C ATOM 24 CG ASP A 2 12.420 -19.060 7.420 1.00 0.00 C ATOM 25 OD1 ASP A 2 11.278 -19.231 7.814 1.00 0.00 O ATOM 26 OD2 ASP A 2 12.722 -18.929 6.245 1.00 0.00 O ATOM 0 H ASP A 2 11.586 -18.285 9.780 1.00 0.00 H new ATOM 0 HA ASP A 2 14.320 -17.578 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.507 -19.116 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.430 -19.799 9.182 1.00 0.00 H new ATOM 31 N ASN A 3 12.551 -16.152 7.519 1.00 0.00 N ATOM 32 CA ASN A 3 12.544 -15.082 6.524 1.00 0.00 C ATOM 33 C ASN A 3 11.690 -13.912 7.002 1.00 0.00 C ATOM 34 O ASN A 3 10.518 -14.088 7.341 1.00 0.00 O ATOM 35 CB ASN A 3 11.988 -15.607 5.195 1.00 0.00 C ATOM 36 CG ASN A 3 12.062 -14.514 4.130 1.00 0.00 C ATOM 37 OD1 ASN A 3 13.116 -14.296 3.532 1.00 0.00 O ATOM 38 ND2 ASN A 3 11.001 -13.800 3.867 1.00 0.00 N ATOM 0 H ASN A 3 11.645 -16.601 7.655 1.00 0.00 H new ATOM 0 HA ASN A 3 13.569 -14.738 6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.556 -16.479 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.955 -15.930 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.045 -13.061 3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.128 -13.981 4.363 1.00 0.00 H new ATOM 45 N LYS A 4 12.284 -12.719 7.015 1.00 0.00 N ATOM 46 CA LYS A 4 11.574 -11.515 7.440 1.00 0.00 C ATOM 47 C LYS A 4 10.535 -11.103 6.390 1.00 0.00 C ATOM 48 O LYS A 4 10.753 -10.191 5.589 1.00 0.00 O ATOM 49 CB LYS A 4 12.572 -10.371 7.722 1.00 0.00 C ATOM 50 CG LYS A 4 13.513 -10.142 6.523 1.00 0.00 C ATOM 51 CD LYS A 4 14.574 -9.098 6.897 1.00 0.00 C ATOM 52 CE LYS A 4 15.401 -8.729 5.660 1.00 0.00 C ATOM 53 NZ LYS A 4 16.227 -9.899 5.244 1.00 0.00 N ATOM 0 H LYS A 4 13.253 -12.562 6.737 1.00 0.00 H new ATOM 0 HA LYS A 4 11.043 -11.732 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.025 -9.453 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.160 -10.608 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.993 -11.079 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.942 -9.802 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.094 -8.208 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.226 -9.492 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.742 -8.428 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.044 -7.877 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.908 -9.602 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.741 -10.272 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.609 -10.640 4.857 1.00 0.00 H new ATOM 67 N PHE A 5 9.392 -11.791 6.410 1.00 0.00 N ATOM 68 CA PHE A 5 8.310 -11.507 5.470 1.00 0.00 C ATOM 69 C PHE A 5 7.776 -10.092 5.686 1.00 0.00 C ATOM 70 O PHE A 5 7.183 -9.490 4.790 1.00 0.00 O ATOM 71 CB PHE A 5 7.176 -12.527 5.643 1.00 0.00 C ATOM 72 CG PHE A 5 6.535 -12.361 7.009 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.083 -13.004 8.126 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.395 -11.558 7.156 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.494 -12.845 9.386 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.807 -11.398 8.415 1.00 0.00 C ATOM 77 CZ PHE A 5 5.356 -12.042 9.529 1.00 0.00 C ATOM 0 H PHE A 5 9.193 -12.547 7.066 1.00 0.00 H new ATOM 0 HA PHE A 5 8.703 -11.583 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.429 -12.389 4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.566 -13.539 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.961 -13.623 8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.970 -11.062 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.917 -13.341 10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.930 -10.778 8.527 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.901 -11.920 10.501 1.00 0.00 H new ATOM 87 N ASN A 6 8.009 -9.582 6.892 1.00 0.00 N ATOM 88 CA ASN A 6 7.576 -8.241 7.272 1.00 0.00 C ATOM 89 C ASN A 6 8.177 -7.190 6.339 1.00 0.00 C ATOM 90 O ASN A 6 7.606 -6.115 6.151 1.00 0.00 O ATOM 91 CB ASN A 6 7.996 -7.952 8.712 1.00 0.00 C ATOM 92 CG ASN A 6 7.408 -9.007 9.647 1.00 0.00 C ATOM 93 OD1 ASN A 6 8.133 -9.855 10.165 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.128 -9.005 9.892 1.00 0.00 N ATOM 0 H ASN A 6 8.501 -10.084 7.631 1.00 0.00 H new ATOM 0 HA ASN A 6 6.490 -8.194 7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.083 -7.950 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.654 -6.960 9.008 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.727 -9.707 10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.528 -8.301 9.462 1.00 0.00 H new ATOM 101 N LYS A 7 9.337 -7.515 5.760 1.00 0.00 N ATOM 102 CA LYS A 7 10.025 -6.603 4.845 1.00 0.00 C ATOM 103 C LYS A 7 9.107 -6.205 3.691 1.00 0.00 C ATOM 104 O LYS A 7 9.095 -5.050 3.260 1.00 0.00 O ATOM 105 CB LYS A 7 11.294 -7.280 4.302 1.00 0.00 C ATOM 106 CG LYS A 7 12.058 -6.325 3.364 1.00 0.00 C ATOM 107 CD LYS A 7 11.775 -6.680 1.892 1.00 0.00 C ATOM 108 CE LYS A 7 12.449 -8.012 1.522 1.00 0.00 C ATOM 109 NZ LYS A 7 11.412 -8.982 1.067 1.00 0.00 N ATOM 0 H LYS A 7 9.818 -8.402 5.909 1.00 0.00 H new ATOM 0 HA LYS A 7 10.301 -5.700 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.937 -7.577 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.026 -8.190 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.759 -5.295 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.128 -6.390 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.700 -6.752 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.144 -5.886 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.185 -7.853 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.985 -8.413 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.868 -9.878 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.735 -9.154 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.908 -8.592 0.245 1.00 0.00 H new ATOM 123 N GLU A 8 8.340 -7.175 3.212 1.00 0.00 N ATOM 124 CA GLU A 8 7.404 -6.942 2.112 1.00 0.00 C ATOM 125 C GLU A 8 6.312 -5.971 2.539 1.00 0.00 C ATOM 126 O GLU A 8 5.809 -5.187 1.736 1.00 0.00 O ATOM 127 CB GLU A 8 6.772 -8.262 1.650 1.00 0.00 C ATOM 128 CG GLU A 8 7.851 -9.180 1.053 1.00 0.00 C ATOM 129 CD GLU A 8 8.383 -10.136 2.122 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.822 -11.211 2.256 1.00 0.00 O ATOM 131 OE2 GLU A 8 9.338 -9.777 2.794 1.00 0.00 O ATOM 0 H GLU A 8 8.345 -8.132 3.565 1.00 0.00 H new ATOM 0 HA GLU A 8 7.960 -6.508 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.287 -8.757 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.999 -8.065 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.435 -9.748 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.668 -8.580 0.652 1.00 0.00 H new ATOM 138 N LEU A 9 5.954 -6.032 3.811 1.00 0.00 N ATOM 139 CA LEU A 9 4.929 -5.147 4.345 1.00 0.00 C ATOM 140 C LEU A 9 5.460 -3.726 4.471 1.00 0.00 C ATOM 141 O LEU A 9 4.711 -2.761 4.326 1.00 0.00 O ATOM 142 CB LEU A 9 4.413 -5.644 5.704 1.00 0.00 C ATOM 143 CG LEU A 9 3.516 -6.867 5.488 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.380 -8.083 5.137 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.706 -7.159 6.757 1.00 0.00 C ATOM 0 H LEU A 9 6.354 -6.680 4.490 1.00 0.00 H new ATOM 0 HA LEU A 9 4.093 -5.149 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.251 -5.903 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.855 -4.853 6.205 1.00 0.00 H new ATOM 0 HG LEU A 9 2.828 -6.661 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.740 -8.952 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.941 -7.880 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.075 -8.283 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.072 -8.030 6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.386 -7.357 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.083 -6.297 6.997 1.00 0.00 H new ATOM 157 N GLY A 10 6.769 -3.601 4.696 1.00 0.00 N ATOM 158 CA GLY A 10 7.391 -2.291 4.791 1.00 0.00 C ATOM 159 C GLY A 10 7.501 -1.726 3.395 1.00 0.00 C ATOM 160 O GLY A 10 7.489 -0.511 3.182 1.00 0.00 O ATOM 0 H GLY A 10 7.409 -4.386 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.797 -1.632 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.377 -2.369 5.250 1.00 0.00 H new ATOM 164 N TRP A 11 7.620 -2.654 2.450 1.00 0.00 N ATOM 165 CA TRP A 11 7.753 -2.325 1.053 1.00 0.00 C ATOM 166 C TRP A 11 6.533 -1.573 0.526 1.00 0.00 C ATOM 167 O TRP A 11 6.656 -0.503 -0.052 1.00 0.00 O ATOM 168 CB TRP A 11 7.905 -3.633 0.270 1.00 0.00 C ATOM 169 CG TRP A 11 8.430 -3.332 -1.075 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.728 -3.187 -1.359 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.698 -3.133 -2.313 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.853 -2.875 -2.703 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.625 -2.847 -3.337 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.331 -3.170 -2.641 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.214 -2.602 -4.646 1.00 0.00 C ATOM 176 CZ3 TRP A 11 5.912 -2.928 -3.958 1.00 0.00 C ATOM 177 CH2 TRP A 11 6.852 -2.645 -4.959 1.00 0.00 C ATOM 0 H TRP A 11 7.626 -3.656 2.642 1.00 0.00 H new ATOM 0 HA TRP A 11 8.622 -1.678 0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.580 -4.309 0.795 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.943 -4.139 0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.543 -3.295 -0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.742 -2.689 -3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.600 -3.386 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.942 -2.381 -5.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.860 -2.960 -4.202 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.524 -2.460 -5.971 1.00 0.00 H new ATOM 188 N ALA A 12 5.355 -2.135 0.714 1.00 0.00 N ATOM 189 CA ALA A 12 4.151 -1.476 0.227 1.00 0.00 C ATOM 190 C ALA A 12 3.795 -0.228 1.019 1.00 0.00 C ATOM 191 O ALA A 12 3.214 0.703 0.481 1.00 0.00 O ATOM 192 CB ALA A 12 2.973 -2.422 0.253 1.00 0.00 C ATOM 0 H ALA A 12 5.203 -3.025 1.188 1.00 0.00 H new ATOM 0 HA ALA A 12 4.371 -1.174 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.085 -1.908 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.183 -3.283 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.800 -2.759 1.275 1.00 0.00 H new ATOM 198 N THR A 13 4.087 -0.233 2.312 1.00 0.00 N ATOM 199 CA THR A 13 3.702 0.893 3.152 1.00 0.00 C ATOM 200 C THR A 13 4.319 2.179 2.661 1.00 0.00 C ATOM 201 O THR A 13 3.605 3.160 2.489 1.00 0.00 O ATOM 202 CB THR A 13 4.100 0.642 4.615 1.00 0.00 C ATOM 203 OG1 THR A 13 3.473 -0.545 5.079 1.00 0.00 O ATOM 204 CG2 THR A 13 3.663 1.830 5.487 1.00 0.00 C ATOM 0 H THR A 13 4.578 -0.986 2.794 1.00 0.00 H new ATOM 0 HA THR A 13 2.618 0.991 3.094 1.00 0.00 H new ATOM 0 HB THR A 13 5.183 0.532 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.798 -1.311 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.948 1.645 6.523 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.149 2.739 5.133 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.581 1.949 5.424 1.00 0.00 H new ATOM 212 N TRP A 14 5.620 2.166 2.405 1.00 0.00 N ATOM 213 CA TRP A 14 6.283 3.357 1.906 1.00 0.00 C ATOM 214 C TRP A 14 5.833 3.634 0.445 1.00 0.00 C ATOM 215 O TRP A 14 5.639 4.791 0.076 1.00 0.00 O ATOM 216 CB TRP A 14 7.818 3.213 2.059 1.00 0.00 C ATOM 217 CG TRP A 14 8.451 3.371 0.730 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.690 4.538 0.096 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.850 2.328 -0.159 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.182 4.257 -1.161 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.301 2.900 -1.356 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.853 0.944 -0.035 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.726 2.112 -2.404 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.285 0.147 -1.085 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.714 0.728 -2.271 1.00 0.00 C ATOM 0 H TRP A 14 6.227 1.356 2.533 1.00 0.00 H new ATOM 0 HA TRP A 14 5.994 4.227 2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.200 3.965 2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.065 2.238 2.480 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.524 5.524 0.504 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.426 4.963 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.517 0.486 0.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.066 2.567 -3.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.288 -0.928 -0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.039 0.104 -3.091 1.00 0.00 H new ATOM 236 N GLU A 15 5.668 2.568 -0.378 1.00 0.00 N ATOM 237 CA GLU A 15 5.249 2.737 -1.778 1.00 0.00 C ATOM 238 C GLU A 15 3.917 3.469 -1.875 1.00 0.00 C ATOM 239 O GLU A 15 3.758 4.418 -2.646 1.00 0.00 O ATOM 240 CB GLU A 15 5.028 1.347 -2.377 1.00 0.00 C ATOM 241 CG GLU A 15 6.346 0.666 -2.697 1.00 0.00 C ATOM 242 CD GLU A 15 6.835 1.087 -4.084 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.404 2.160 -4.191 1.00 0.00 O ATOM 244 OE2 GLU A 15 6.615 0.339 -5.020 1.00 0.00 O ATOM 0 H GLU A 15 5.818 1.600 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 15 6.019 3.306 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.460 0.734 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.430 1.431 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.091 0.928 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.223 -0.416 -2.660 1.00 0.00 H new ATOM 251 N ILE A 16 2.980 3.007 -1.080 1.00 0.00 N ATOM 252 CA ILE A 16 1.641 3.571 -1.022 1.00 0.00 C ATOM 253 C ILE A 16 1.708 4.952 -0.400 1.00 0.00 C ATOM 254 O ILE A 16 1.089 5.898 -0.876 1.00 0.00 O ATOM 255 CB ILE A 16 0.806 2.581 -0.207 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.844 1.259 -0.983 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.651 3.053 -0.025 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.148 0.168 -0.188 1.00 0.00 C ATOM 0 H ILE A 16 3.122 2.220 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 16 1.185 3.706 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 16 1.215 2.482 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.357 1.382 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.877 0.973 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.202 2.316 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.661 4.011 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.121 3.166 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.180 -0.767 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.654 0.036 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.890 0.451 -0.014 1.00 0.00 H new ATOM 270 N PHE A 17 2.507 5.060 0.643 1.00 0.00 N ATOM 271 CA PHE A 17 2.705 6.342 1.324 1.00 0.00 C ATOM 272 C PHE A 17 3.377 7.371 0.407 1.00 0.00 C ATOM 273 O PHE A 17 3.313 8.573 0.670 1.00 0.00 O ATOM 274 CB PHE A 17 3.589 6.153 2.562 1.00 0.00 C ATOM 275 CG PHE A 17 2.773 6.147 3.840 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.683 7.022 4.012 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.121 5.260 4.866 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.953 6.994 5.205 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.392 5.241 6.056 1.00 0.00 C ATOM 280 CZ PHE A 17 1.307 6.107 6.228 1.00 0.00 C ATOM 0 H PHE A 17 3.032 4.283 1.043 1.00 0.00 H new ATOM 0 HA PHE A 17 1.719 6.709 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.138 5.215 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.328 6.953 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.412 7.712 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.957 4.588 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.113 7.660 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.666 4.557 6.845 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.743 6.091 7.149 1.00 0.00 H new ATOM 290 N ASN A 18 4.027 6.893 -0.655 1.00 0.00 N ATOM 291 CA ASN A 18 4.717 7.782 -1.593 1.00 0.00 C ATOM 292 C ASN A 18 3.745 8.341 -2.621 1.00 0.00 C ATOM 293 O ASN A 18 4.155 8.840 -3.673 1.00 0.00 O ATOM 294 CB ASN A 18 5.864 7.029 -2.288 1.00 0.00 C ATOM 295 CG ASN A 18 7.112 7.032 -1.405 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.222 6.843 -1.903 1.00 0.00 O ATOM 297 ND2 ASN A 18 7.000 7.234 -0.120 1.00 0.00 N ATOM 0 H ASN A 18 4.091 5.902 -0.887 1.00 0.00 H new ATOM 0 HA ASN A 18 5.135 8.619 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.561 6.003 -2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.087 7.497 -3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.832 7.235 0.470 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.081 7.391 0.293 1.00 0.00 H new ATOM 304 N LEU A 19 2.455 8.272 -2.301 1.00 0.00 N ATOM 305 CA LEU A 19 1.436 8.784 -3.188 1.00 0.00 C ATOM 306 C LEU A 19 1.142 10.226 -2.845 1.00 0.00 C ATOM 307 O LEU A 19 0.867 10.545 -1.685 1.00 0.00 O ATOM 308 CB LEU A 19 0.174 7.940 -3.086 1.00 0.00 C ATOM 309 CG LEU A 19 0.390 6.591 -3.788 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.943 5.903 -4.035 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.078 6.793 -5.127 1.00 0.00 C ATOM 0 H LEU A 19 2.100 7.866 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 19 1.797 8.733 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.082 7.778 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.664 8.467 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 19 1.013 5.974 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.773 4.948 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.446 5.731 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.567 6.535 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.223 5.827 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.459 7.427 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.046 7.270 -4.971 1.00 0.00 H new ATOM 323 N PRO A 20 1.243 11.112 -3.805 1.00 0.00 N ATOM 324 CA PRO A 20 1.034 12.545 -3.555 1.00 0.00 C ATOM 325 C PRO A 20 -0.413 12.969 -3.272 1.00 0.00 C ATOM 326 O PRO A 20 -0.652 14.170 -3.111 1.00 0.00 O ATOM 327 CB PRO A 20 1.562 13.258 -4.813 1.00 0.00 C ATOM 328 CG PRO A 20 2.055 12.200 -5.746 1.00 0.00 C ATOM 329 CD PRO A 20 1.568 10.853 -5.221 1.00 0.00 C ATOM 0 HA PRO A 20 1.557 12.814 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.773 13.847 -5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.365 13.949 -4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.681 12.375 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.143 12.217 -5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.695 10.503 -5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.336 10.086 -5.319 1.00 0.00 H new ATOM 337 N ASN A 21 -1.387 12.038 -3.229 1.00 0.00 N ATOM 338 CA ASN A 21 -2.764 12.459 -2.989 1.00 0.00 C ATOM 339 C ASN A 21 -3.424 11.652 -1.880 1.00 0.00 C ATOM 340 O ASN A 21 -4.546 11.960 -1.491 1.00 0.00 O ATOM 341 CB ASN A 21 -3.571 12.321 -4.284 1.00 0.00 C ATOM 342 CG ASN A 21 -2.881 13.064 -5.428 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.511 14.229 -5.285 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.687 12.454 -6.564 1.00 0.00 N ATOM 0 H ASN A 21 -1.248 11.035 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.744 13.500 -2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.680 11.267 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.575 12.719 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.229 12.942 -7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.993 11.488 -6.683 1.00 0.00 H new ATOM 351 N LEU A 22 -2.734 10.631 -1.365 1.00 0.00 N ATOM 352 CA LEU A 22 -3.301 9.809 -0.305 1.00 0.00 C ATOM 353 C LEU A 22 -3.432 10.544 1.014 1.00 0.00 C ATOM 354 O LEU A 22 -2.739 11.527 1.286 1.00 0.00 O ATOM 355 CB LEU A 22 -2.425 8.596 -0.024 1.00 0.00 C ATOM 356 CG LEU A 22 -2.501 7.554 -1.139 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.736 6.294 -0.701 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.955 7.179 -1.400 1.00 0.00 C ATOM 0 H LEU A 22 -1.797 10.360 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.287 9.525 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.391 8.918 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.731 8.140 0.918 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.063 7.967 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.785 5.545 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.694 6.550 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.185 5.893 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.002 6.436 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.393 6.766 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.512 8.067 -1.700 1.00 0.00 H new ATOM 370 N ASN A 23 -4.291 9.973 1.850 1.00 0.00 N ATOM 371 CA ASN A 23 -4.519 10.447 3.195 1.00 0.00 C ATOM 372 C ASN A 23 -4.092 9.324 4.134 1.00 0.00 C ATOM 373 O ASN A 23 -4.180 8.149 3.765 1.00 0.00 O ATOM 374 CB ASN A 23 -6.002 10.775 3.396 1.00 0.00 C ATOM 375 CG ASN A 23 -6.205 11.482 4.731 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.925 12.674 4.855 1.00 0.00 O ATOM 377 ND2 ASN A 23 -6.666 10.809 5.745 1.00 0.00 N ATOM 0 H ASN A 23 -4.852 9.158 1.602 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.952 11.357 3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.356 11.408 2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.592 9.859 3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.796 11.269 6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.897 9.821 5.639 1.00 0.00 H new ATOM 384 N GLY A 24 -3.619 9.674 5.327 1.00 0.00 N ATOM 385 CA GLY A 24 -3.172 8.670 6.296 1.00 0.00 C ATOM 386 C GLY A 24 -4.195 7.542 6.439 1.00 0.00 C ATOM 387 O GLY A 24 -3.840 6.412 6.765 1.00 0.00 O ATOM 0 H GLY A 24 -3.534 10.639 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.214 8.257 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.011 9.143 7.265 1.00 0.00 H new ATOM 391 N VAL A 25 -5.463 7.866 6.177 1.00 0.00 N ATOM 392 CA VAL A 25 -6.541 6.888 6.264 1.00 0.00 C ATOM 393 C VAL A 25 -6.474 5.894 5.104 1.00 0.00 C ATOM 394 O VAL A 25 -6.542 4.683 5.318 1.00 0.00 O ATOM 395 CB VAL A 25 -7.893 7.613 6.249 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.029 6.583 6.237 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.012 8.480 7.507 1.00 0.00 C ATOM 0 H VAL A 25 -5.765 8.801 5.903 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.431 6.333 7.196 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.961 8.239 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.989 7.100 6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.944 5.958 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.963 5.958 7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.971 8.998 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.945 7.848 8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.204 9.212 7.522 1.00 0.00 H new ATOM 407 N GLN A 26 -6.351 6.415 3.877 1.00 0.00 N ATOM 408 CA GLN A 26 -6.292 5.574 2.692 1.00 0.00 C ATOM 409 C GLN A 26 -5.023 4.751 2.672 1.00 0.00 C ATOM 410 O GLN A 26 -5.061 3.554 2.389 1.00 0.00 O ATOM 411 CB GLN A 26 -6.372 6.457 1.454 1.00 0.00 C ATOM 412 CG GLN A 26 -7.719 7.188 1.461 1.00 0.00 C ATOM 413 CD GLN A 26 -7.941 7.958 0.160 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.943 8.654 0.017 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.071 7.870 -0.804 1.00 0.00 N ATOM 0 H GLN A 26 -6.291 7.415 3.687 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.133 4.881 2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.552 7.175 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.274 5.853 0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.525 6.468 1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.757 7.877 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.238 7.293 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.222 8.378 -1.675 1.00 0.00 H new ATOM 424 N VAL A 27 -3.905 5.389 2.997 1.00 0.00 N ATOM 425 CA VAL A 27 -2.633 4.687 3.023 1.00 0.00 C ATOM 426 C VAL A 27 -2.710 3.544 4.016 1.00 0.00 C ATOM 427 O VAL A 27 -2.390 2.399 3.687 1.00 0.00 O ATOM 428 CB VAL A 27 -1.504 5.637 3.431 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.175 4.877 3.370 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.466 6.831 2.475 1.00 0.00 C ATOM 0 H VAL A 27 -3.855 6.378 3.243 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.425 4.301 2.025 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.672 6.003 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.638 5.543 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.209 4.029 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.007 4.518 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.662 7.506 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.292 6.478 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.417 7.361 2.517 1.00 0.00 H new ATOM 440 N LYS A 28 -3.172 3.869 5.221 1.00 0.00 N ATOM 441 CA LYS A 28 -3.324 2.876 6.270 1.00 0.00 C ATOM 442 C LYS A 28 -4.232 1.759 5.781 1.00 0.00 C ATOM 443 O LYS A 28 -4.021 0.607 6.110 1.00 0.00 O ATOM 444 CB LYS A 28 -3.906 3.519 7.540 1.00 0.00 C ATOM 445 CG LYS A 28 -3.904 2.509 8.700 1.00 0.00 C ATOM 446 CD LYS A 28 -2.485 2.367 9.275 1.00 0.00 C ATOM 447 CE LYS A 28 -2.453 1.234 10.307 1.00 0.00 C ATOM 448 NZ LYS A 28 -2.159 -0.055 9.617 1.00 0.00 N ATOM 0 H LYS A 28 -3.446 4.814 5.491 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.345 2.464 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.320 4.397 7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.923 3.861 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.590 2.839 9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.261 1.541 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.777 2.160 8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.176 3.303 9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.694 1.436 11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.410 1.172 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.936 -0.784 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.989 -0.350 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.346 0.070 8.980 1.00 0.00 H new ATOM 462 N ALA A 29 -5.234 2.127 4.981 1.00 0.00 N ATOM 463 CA ALA A 29 -6.180 1.164 4.433 1.00 0.00 C ATOM 464 C ALA A 29 -5.473 0.172 3.522 1.00 0.00 C ATOM 465 O ALA A 29 -5.784 -1.021 3.529 1.00 0.00 O ATOM 466 CB ALA A 29 -7.251 1.902 3.628 1.00 0.00 C ATOM 0 H ALA A 29 -5.409 3.092 4.699 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.637 0.621 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.959 1.182 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.779 2.600 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.780 2.452 2.813 1.00 0.00 H new ATOM 472 N PHE A 30 -4.522 0.673 2.734 1.00 0.00 N ATOM 473 CA PHE A 30 -3.788 -0.168 1.829 1.00 0.00 C ATOM 474 C PHE A 30 -2.821 -1.024 2.617 1.00 0.00 C ATOM 475 O PHE A 30 -2.688 -2.224 2.377 1.00 0.00 O ATOM 476 CB PHE A 30 -3.111 0.718 0.786 1.00 0.00 C ATOM 477 CG PHE A 30 -4.206 1.446 0.024 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.278 0.715 -0.510 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.187 2.842 -0.110 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.310 1.371 -1.168 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.221 3.490 -0.776 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.281 2.753 -1.302 1.00 0.00 C ATOM 0 H PHE A 30 -4.253 1.657 2.714 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.443 -0.855 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.439 1.430 1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.506 0.117 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.301 -0.360 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.369 3.413 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.135 0.806 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.203 4.564 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.084 3.260 -1.817 1.00 0.00 H new ATOM 492 N ILE A 31 -2.205 -0.403 3.607 1.00 0.00 N ATOM 493 CA ILE A 31 -1.307 -1.101 4.504 1.00 0.00 C ATOM 494 C ILE A 31 -2.113 -2.082 5.358 1.00 0.00 C ATOM 495 O ILE A 31 -1.638 -3.165 5.697 1.00 0.00 O ATOM 496 CB ILE A 31 -0.527 -0.081 5.331 1.00 0.00 C ATOM 497 CG1 ILE A 31 0.399 0.671 4.369 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.320 -0.771 6.409 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.506 2.126 4.778 1.00 0.00 C ATOM 0 H ILE A 31 -2.313 0.591 3.809 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.574 -1.687 3.950 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.221 0.593 5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.387 0.212 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.015 0.599 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.864 -0.019 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.331 -1.335 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.030 -1.449 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.166 2.650 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.483 2.584 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.911 2.191 5.788 1.00 0.00 H new ATOM 511 N ASP A 32 -3.358 -1.705 5.675 1.00 0.00 N ATOM 512 CA ASP A 32 -4.229 -2.597 6.447 1.00 0.00 C ATOM 513 C ASP A 32 -4.446 -3.877 5.648 1.00 0.00 C ATOM 514 O ASP A 32 -4.403 -4.981 6.193 1.00 0.00 O ATOM 515 CB ASP A 32 -5.592 -1.942 6.748 1.00 0.00 C ATOM 516 CG ASP A 32 -5.477 -0.873 7.844 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.613 -0.995 8.698 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.262 0.060 7.810 1.00 0.00 O ATOM 0 H ASP A 32 -3.776 -0.811 5.416 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.747 -2.813 7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.988 -1.490 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.303 -2.707 7.059 1.00 0.00 H new ATOM 523 N SER A 33 -4.643 -3.703 4.336 1.00 0.00 N ATOM 524 CA SER A 33 -4.835 -4.828 3.425 1.00 0.00 C ATOM 525 C SER A 33 -3.582 -5.705 3.408 1.00 0.00 C ATOM 526 O SER A 33 -3.666 -6.921 3.245 1.00 0.00 O ATOM 527 CB SER A 33 -5.142 -4.315 2.018 1.00 0.00 C ATOM 528 OG SER A 33 -6.247 -3.421 2.074 1.00 0.00 O ATOM 0 H SER A 33 -4.673 -2.789 3.884 1.00 0.00 H new ATOM 0 HA SER A 33 -5.678 -5.427 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.270 -3.808 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.369 -5.150 1.355 1.00 0.00 H new ATOM 0 HG SER A 33 -5.964 -2.576 2.481 1.00 0.00 H new ATOM 534 N LEU A 34 -2.419 -5.066 3.580 1.00 0.00 N ATOM 535 CA LEU A 34 -1.142 -5.767 3.592 1.00 0.00 C ATOM 536 C LEU A 34 -1.136 -6.853 4.662 1.00 0.00 C ATOM 537 O LEU A 34 -0.717 -7.980 4.426 1.00 0.00 O ATOM 538 CB LEU A 34 -0.047 -4.756 3.972 1.00 0.00 C ATOM 539 CG LEU A 34 1.124 -4.809 3.020 1.00 0.00 C ATOM 540 CD1 LEU A 34 0.591 -4.547 1.631 1.00 0.00 C ATOM 541 CD2 LEU A 34 2.099 -3.707 3.419 1.00 0.00 C ATOM 0 H LEU A 34 -2.342 -4.058 3.713 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.974 -6.211 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.467 -3.750 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.299 -4.960 4.985 1.00 0.00 H new ATOM 0 HG LEU A 34 1.630 -5.774 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.412 -4.578 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.144 -5.310 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.120 -3.564 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.958 -3.720 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.601 -2.739 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.436 -3.872 4.442 1.00 0.00 H new ATOM 553 N ARG A 35 -1.602 -6.479 5.845 1.00 0.00 N ATOM 554 CA ARG A 35 -1.658 -7.405 6.979 1.00 0.00 C ATOM 555 C ARG A 35 -2.551 -8.587 6.633 1.00 0.00 C ATOM 556 O ARG A 35 -2.228 -9.739 6.931 1.00 0.00 O ATOM 557 CB ARG A 35 -2.218 -6.684 8.207 1.00 0.00 C ATOM 558 CG ARG A 35 -1.219 -5.621 8.696 1.00 0.00 C ATOM 559 CD ARG A 35 -1.972 -4.372 9.166 1.00 0.00 C ATOM 560 NE ARG A 35 -3.177 -4.743 9.906 1.00 0.00 N ATOM 561 CZ ARG A 35 -4.273 -3.994 9.863 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.438 -3.032 10.725 1.00 0.00 N ATOM 563 NH2 ARG A 35 -5.182 -4.222 8.959 1.00 0.00 N ATOM 0 H ARG A 35 -1.948 -5.542 6.050 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.652 -7.764 7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.170 -6.214 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.415 -7.403 9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.618 -6.022 9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.531 -5.360 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.323 -3.766 9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.242 -3.759 8.306 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.176 -5.595 10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.726 -2.854 11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.280 -2.457 10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.052 -4.976 8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.024 -3.647 8.926 1.00 0.00 H new ATOM 577 N ASP A 36 -3.664 -8.275 5.980 1.00 0.00 N ATOM 578 CA ASP A 36 -4.620 -9.286 5.550 1.00 0.00 C ATOM 579 C ASP A 36 -3.987 -10.193 4.499 1.00 0.00 C ATOM 580 O ASP A 36 -4.230 -11.401 4.465 1.00 0.00 O ATOM 581 CB ASP A 36 -5.861 -8.592 4.980 1.00 0.00 C ATOM 582 CG ASP A 36 -6.541 -7.745 6.060 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.878 -8.294 7.096 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.709 -6.558 5.836 1.00 0.00 O ATOM 0 H ASP A 36 -3.927 -7.320 5.735 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.911 -9.901 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.578 -7.960 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.560 -9.337 4.599 1.00 0.00 H new ATOM 589 N ASP A 37 -3.162 -9.580 3.660 1.00 0.00 N ATOM 590 CA ASP A 37 -2.449 -10.281 2.600 1.00 0.00 C ATOM 591 C ASP A 37 -1.356 -9.377 2.036 1.00 0.00 C ATOM 592 O ASP A 37 -1.626 -8.477 1.236 1.00 0.00 O ATOM 593 CB ASP A 37 -3.415 -10.711 1.484 1.00 0.00 C ATOM 594 CG ASP A 37 -2.792 -11.816 0.619 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.595 -11.760 0.368 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.524 -12.701 0.210 1.00 0.00 O ATOM 0 H ASP A 37 -2.968 -8.579 3.696 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.994 -11.180 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.347 -11.068 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.663 -9.852 0.861 1.00 0.00 H new ATOM 601 N PRO A 38 -0.133 -9.589 2.460 1.00 0.00 N ATOM 602 CA PRO A 38 1.025 -8.772 2.014 1.00 0.00 C ATOM 603 C PRO A 38 1.435 -9.049 0.571 1.00 0.00 C ATOM 604 O PRO A 38 2.073 -8.210 -0.067 1.00 0.00 O ATOM 605 CB PRO A 38 2.146 -9.133 2.987 1.00 0.00 C ATOM 606 CG PRO A 38 1.596 -10.119 3.967 1.00 0.00 C ATOM 607 CD PRO A 38 0.283 -10.636 3.405 1.00 0.00 C ATOM 0 HA PRO A 38 0.780 -7.710 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.995 -9.558 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.507 -8.243 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.297 -10.939 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.439 -9.648 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.412 -11.596 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.458 -10.782 4.191 1.00 0.00 H new ATOM 615 N SER A 39 1.053 -10.219 0.058 1.00 0.00 N ATOM 616 CA SER A 39 1.374 -10.584 -1.319 1.00 0.00 C ATOM 617 C SER A 39 0.660 -9.637 -2.273 1.00 0.00 C ATOM 618 O SER A 39 1.081 -9.449 -3.416 1.00 0.00 O ATOM 619 CB SER A 39 0.944 -12.026 -1.602 1.00 0.00 C ATOM 620 OG SER A 39 1.491 -12.445 -2.846 1.00 0.00 O ATOM 0 H SER A 39 0.525 -10.924 0.572 1.00 0.00 H new ATOM 0 HA SER A 39 2.451 -10.507 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.285 -12.683 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.144 -12.095 -1.628 1.00 0.00 H new ATOM 0 HG SER A 39 1.218 -13.368 -3.029 1.00 0.00 H new ATOM 626 N GLN A 40 -0.429 -9.054 -1.779 1.00 0.00 N ATOM 627 CA GLN A 40 -1.231 -8.131 -2.564 1.00 0.00 C ATOM 628 C GLN A 40 -0.663 -6.727 -2.532 1.00 0.00 C ATOM 629 O GLN A 40 -1.217 -5.853 -3.171 1.00 0.00 O ATOM 630 CB GLN A 40 -2.673 -8.087 -2.031 1.00 0.00 C ATOM 631 CG GLN A 40 -3.205 -9.506 -1.804 1.00 0.00 C ATOM 632 CD GLN A 40 -3.101 -10.339 -3.080 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.577 -9.927 -4.137 1.00 0.00 O ATOM 634 NE2 GLN A 40 -2.500 -11.497 -3.040 1.00 0.00 N ATOM 0 H GLN A 40 -0.775 -9.208 -0.832 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.219 -8.494 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.705 -7.527 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.313 -7.561 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.641 -9.986 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.244 -9.461 -1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.106 -11.837 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.424 -12.062 -3.886 1.00 0.00 H new ATOM 643 N SER A 41 0.427 -6.513 -1.793 1.00 0.00 N ATOM 644 CA SER A 41 1.018 -5.184 -1.658 1.00 0.00 C ATOM 645 C SER A 41 1.014 -4.400 -2.962 1.00 0.00 C ATOM 646 O SER A 41 0.707 -3.215 -2.953 1.00 0.00 O ATOM 647 CB SER A 41 2.465 -5.332 -1.177 1.00 0.00 C ATOM 648 OG SER A 41 3.116 -6.339 -1.943 1.00 0.00 O ATOM 0 H SER A 41 0.918 -7.245 -1.279 1.00 0.00 H new ATOM 0 HA SER A 41 0.412 -4.630 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.993 -4.384 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.483 -5.595 -0.119 1.00 0.00 H new ATOM 0 HG SER A 41 2.939 -7.217 -1.546 1.00 0.00 H new ATOM 654 N ALA A 42 1.312 -5.057 -4.073 1.00 0.00 N ATOM 655 CA ALA A 42 1.313 -4.387 -5.362 1.00 0.00 C ATOM 656 C ALA A 42 -0.102 -3.961 -5.753 1.00 0.00 C ATOM 657 O ALA A 42 -0.303 -2.912 -6.361 1.00 0.00 O ATOM 658 CB ALA A 42 1.880 -5.322 -6.420 1.00 0.00 C ATOM 0 H ALA A 42 1.555 -6.047 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 42 1.934 -3.494 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.881 -4.819 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.900 -5.597 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.266 -6.220 -6.479 1.00 0.00 H new ATOM 664 N ASN A 43 -1.072 -4.786 -5.375 1.00 0.00 N ATOM 665 CA ASN A 43 -2.471 -4.519 -5.640 1.00 0.00 C ATOM 666 C ASN A 43 -2.948 -3.384 -4.748 1.00 0.00 C ATOM 667 O ASN A 43 -3.714 -2.526 -5.152 1.00 0.00 O ATOM 668 CB ASN A 43 -3.294 -5.776 -5.374 1.00 0.00 C ATOM 669 CG ASN A 43 -4.646 -5.710 -6.082 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.121 -4.632 -6.446 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.296 -6.815 -6.302 1.00 0.00 N ATOM 0 H ASN A 43 -0.904 -5.659 -4.875 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.595 -4.230 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.744 -6.653 -5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.447 -5.893 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.199 -6.790 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.903 -7.707 -6.001 1.00 0.00 H new ATOM 678 N LEU A 44 -2.444 -3.406 -3.526 1.00 0.00 N ATOM 679 CA LEU A 44 -2.743 -2.404 -2.522 1.00 0.00 C ATOM 680 C LEU A 44 -2.152 -1.118 -3.013 1.00 0.00 C ATOM 681 O LEU A 44 -2.755 -0.057 -2.918 1.00 0.00 O ATOM 682 CB LEU A 44 -2.160 -2.885 -1.185 1.00 0.00 C ATOM 683 CG LEU A 44 -2.653 -4.325 -0.983 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.219 -4.917 0.333 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.153 -4.359 -1.074 1.00 0.00 C ATOM 0 H LEU A 44 -1.806 -4.132 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.809 -2.245 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.071 -2.847 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.489 -2.245 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.203 -4.929 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.598 -5.935 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.130 -4.930 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.614 -4.314 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.503 -5.381 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.579 -3.718 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.466 -4.003 -2.055 1.00 0.00 H new ATOM 697 N LEU A 45 -0.995 -1.277 -3.635 1.00 0.00 N ATOM 698 CA LEU A 45 -0.306 -0.187 -4.283 1.00 0.00 C ATOM 699 C LEU A 45 -1.187 0.315 -5.404 1.00 0.00 C ATOM 700 O LEU A 45 -1.347 1.505 -5.613 1.00 0.00 O ATOM 701 CB LEU A 45 0.969 -0.714 -4.950 1.00 0.00 C ATOM 702 CG LEU A 45 2.231 -0.195 -4.313 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.158 1.327 -4.115 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.371 -0.973 -3.019 1.00 0.00 C ATOM 0 H LEU A 45 -0.510 -2.172 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.076 0.586 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.970 -1.803 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.961 -0.436 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 45 3.114 -0.343 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.081 1.679 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.027 1.814 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.314 1.570 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.271 -0.650 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.500 -0.791 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.443 -2.038 -3.241 1.00 0.00 H new ATOM 716 N ALA A 46 -1.737 -0.661 -6.125 1.00 0.00 N ATOM 717 CA ALA A 46 -2.599 -0.408 -7.268 1.00 0.00 C ATOM 718 C ALA A 46 -3.823 0.350 -6.822 1.00 0.00 C ATOM 719 O ALA A 46 -4.213 1.358 -7.411 1.00 0.00 O ATOM 720 CB ALA A 46 -3.041 -1.744 -7.868 1.00 0.00 C ATOM 0 H ALA A 46 -1.594 -1.652 -5.928 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.053 0.177 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.688 -1.561 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.164 -2.307 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.586 -2.317 -7.118 1.00 0.00 H new ATOM 726 N GLU A 47 -4.384 -0.146 -5.739 1.00 0.00 N ATOM 727 CA GLU A 47 -5.531 0.442 -5.119 1.00 0.00 C ATOM 728 C GLU A 47 -5.153 1.809 -4.591 1.00 0.00 C ATOM 729 O GLU A 47 -5.960 2.733 -4.547 1.00 0.00 O ATOM 730 CB GLU A 47 -5.922 -0.460 -3.976 1.00 0.00 C ATOM 731 CG GLU A 47 -6.615 -1.728 -4.496 1.00 0.00 C ATOM 732 CD GLU A 47 -7.976 -1.377 -5.102 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.835 -0.929 -4.358 1.00 0.00 O ATOM 734 OE2 GLU A 47 -8.142 -1.564 -6.296 1.00 0.00 O ATOM 0 H GLU A 47 -4.043 -0.982 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.357 0.553 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.036 -0.733 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.589 0.073 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.989 -2.212 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.745 -2.440 -3.681 1.00 0.00 H new ATOM 741 N ALA A 48 -3.893 1.913 -4.203 1.00 0.00 N ATOM 742 CA ALA A 48 -3.354 3.150 -3.693 1.00 0.00 C ATOM 743 C ALA A 48 -3.236 4.144 -4.826 1.00 0.00 C ATOM 744 O ALA A 48 -3.640 5.296 -4.694 1.00 0.00 O ATOM 745 CB ALA A 48 -1.976 2.911 -3.090 1.00 0.00 C ATOM 0 H ALA A 48 -3.223 1.144 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.019 3.539 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.578 3.851 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.055 2.192 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.307 2.518 -3.856 1.00 0.00 H new ATOM 751 N LYS A 49 -2.714 3.664 -5.958 1.00 0.00 N ATOM 752 CA LYS A 49 -2.580 4.500 -7.142 1.00 0.00 C ATOM 753 C LYS A 49 -3.971 4.937 -7.543 1.00 0.00 C ATOM 754 O LYS A 49 -4.192 6.056 -7.993 1.00 0.00 O ATOM 755 CB LYS A 49 -1.975 3.707 -8.312 1.00 0.00 C ATOM 756 CG LYS A 49 -0.580 3.130 -7.988 1.00 0.00 C ATOM 757 CD LYS A 49 0.193 4.040 -7.035 1.00 0.00 C ATOM 758 CE LYS A 49 1.622 3.515 -6.855 1.00 0.00 C ATOM 759 NZ LYS A 49 2.466 3.969 -7.996 1.00 0.00 N ATOM 0 H LYS A 49 -2.381 2.707 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.928 5.344 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.647 2.891 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.901 4.356 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.688 2.142 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.014 3.003 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.217 5.056 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.312 4.083 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.038 3.877 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.617 2.426 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.435 3.613 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.072 3.603 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.480 5.008 -8.025 1.00 0.00 H new ATOM 773 N LYS A 50 -4.899 4.004 -7.349 1.00 0.00 N ATOM 774 CA LYS A 50 -6.300 4.217 -7.658 1.00 0.00 C ATOM 775 C LYS A 50 -6.878 5.288 -6.749 1.00 0.00 C ATOM 776 O LYS A 50 -7.594 6.183 -7.204 1.00 0.00 O ATOM 777 CB LYS A 50 -7.056 2.895 -7.478 1.00 0.00 C ATOM 778 CG LYS A 50 -8.478 2.995 -8.027 1.00 0.00 C ATOM 779 CD LYS A 50 -9.185 1.654 -7.794 1.00 0.00 C ATOM 780 CE LYS A 50 -9.671 1.565 -6.343 1.00 0.00 C ATOM 781 NZ LYS A 50 -10.524 0.354 -6.183 1.00 0.00 N ATOM 0 H LYS A 50 -4.695 3.079 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.403 4.554 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.521 2.094 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.089 2.632 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.020 3.800 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.458 3.233 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.029 1.555 -8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.503 0.831 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.819 1.516 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.236 2.459 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.497 0.642 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.521 -0.192 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.150 -0.235 -5.412 1.00 0.00 H new ATOM 795 N LEU A 51 -6.547 5.197 -5.463 1.00 0.00 N ATOM 796 CA LEU A 51 -7.027 6.177 -4.495 1.00 0.00 C ATOM 797 C LEU A 51 -6.339 7.511 -4.725 1.00 0.00 C ATOM 798 O LEU A 51 -6.981 8.559 -4.723 1.00 0.00 O ATOM 799 CB LEU A 51 -6.820 5.686 -3.052 1.00 0.00 C ATOM 800 CG LEU A 51 -8.186 5.306 -2.434 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.151 6.507 -2.463 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.801 4.135 -3.222 1.00 0.00 C ATOM 0 H LEU A 51 -5.956 4.464 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.099 6.309 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.152 4.824 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.344 6.465 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.027 5.011 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.106 6.217 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.724 7.331 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.307 6.823 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.763 3.868 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.943 4.431 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.132 3.276 -3.178 1.00 0.00 H new ATOM 814 N ASN A 52 -5.033 7.452 -4.953 1.00 0.00 N ATOM 815 CA ASN A 52 -4.252 8.648 -5.229 1.00 0.00 C ATOM 816 C ASN A 52 -4.781 9.330 -6.480 1.00 0.00 C ATOM 817 O ASN A 52 -4.970 10.540 -6.503 1.00 0.00 O ATOM 818 CB ASN A 52 -2.803 8.253 -5.451 1.00 0.00 C ATOM 819 CG ASN A 52 -1.959 9.460 -5.840 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.476 10.180 -4.976 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.757 9.726 -7.100 1.00 0.00 N ATOM 0 H ASN A 52 -4.493 6.587 -4.952 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.327 9.334 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.402 7.803 -4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.745 7.497 -6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.196 10.535 -7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.160 9.125 -7.819 1.00 0.00 H new ATOM 828 N ASP A 53 -5.028 8.521 -7.511 1.00 0.00 N ATOM 829 CA ASP A 53 -5.553 9.021 -8.772 1.00 0.00 C ATOM 830 C ASP A 53 -6.896 9.683 -8.531 1.00 0.00 C ATOM 831 O ASP A 53 -7.197 10.746 -9.078 1.00 0.00 O ATOM 832 CB ASP A 53 -5.708 7.869 -9.773 1.00 0.00 C ATOM 833 CG ASP A 53 -6.219 8.400 -11.112 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.401 8.826 -11.910 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.423 8.383 -11.315 1.00 0.00 O ATOM 0 H ASP A 53 -4.871 7.513 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.858 9.752 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.750 7.368 -9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.402 7.126 -9.379 1.00 0.00 H new ATOM 840 N ALA A 54 -7.677 9.038 -7.682 1.00 0.00 N ATOM 841 CA ALA A 54 -8.986 9.533 -7.309 1.00 0.00 C ATOM 842 C ALA A 54 -8.843 10.814 -6.494 1.00 0.00 C ATOM 843 O ALA A 54 -9.671 11.721 -6.598 1.00 0.00 O ATOM 844 CB ALA A 54 -9.724 8.473 -6.489 1.00 0.00 C ATOM 0 H ALA A 54 -7.420 8.158 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.558 9.749 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.708 8.849 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.837 7.566 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.153 8.247 -5.588 1.00 0.00 H new ATOM 850 N GLN A 55 -7.773 10.881 -5.691 1.00 0.00 N ATOM 851 CA GLN A 55 -7.512 12.058 -4.865 1.00 0.00 C ATOM 852 C GLN A 55 -6.664 13.077 -5.626 1.00 0.00 C ATOM 853 O GLN A 55 -6.380 14.166 -5.120 1.00 0.00 O ATOM 854 CB GLN A 55 -6.836 11.636 -3.552 1.00 0.00 C ATOM 855 CG GLN A 55 -7.930 11.271 -2.536 1.00 0.00 C ATOM 856 CD GLN A 55 -7.361 11.218 -1.125 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.780 11.978 -0.252 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.427 10.364 -0.849 1.00 0.00 N ATOM 0 H GLN A 55 -7.081 10.138 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.460 12.538 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.177 10.784 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.217 12.446 -3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.734 12.005 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.365 10.305 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.081 9.735 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.038 10.321 0.093 1.00 0.00 H new ATOM 867 N ALA A 56 -6.279 12.716 -6.850 1.00 0.00 N ATOM 868 CA ALA A 56 -5.478 13.596 -7.699 1.00 0.00 C ATOM 869 C ALA A 56 -6.358 14.661 -8.329 1.00 0.00 C ATOM 870 O ALA A 56 -7.513 14.397 -8.666 1.00 0.00 O ATOM 871 CB ALA A 56 -4.782 12.786 -8.799 1.00 0.00 C ATOM 0 H ALA A 56 -6.510 11.818 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.722 14.078 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.189 13.455 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.130 12.040 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.532 12.286 -9.412 1.00 0.00 H new ATOM 877 N PRO A 57 -5.833 15.854 -8.486 1.00 0.00 N ATOM 878 CA PRO A 57 -6.581 16.987 -9.089 1.00 0.00 C ATOM 879 C PRO A 57 -7.182 16.618 -10.443 1.00 0.00 C ATOM 880 O PRO A 57 -6.646 15.776 -11.167 1.00 0.00 O ATOM 881 CB PRO A 57 -5.550 18.102 -9.258 1.00 0.00 C ATOM 882 CG PRO A 57 -4.237 17.581 -8.787 1.00 0.00 C ATOM 883 CD PRO A 57 -4.471 16.247 -8.092 1.00 0.00 C ATOM 0 HA PRO A 57 -7.419 17.280 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.487 18.409 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.841 18.982 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.555 17.456 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.772 18.289 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.738 15.503 -8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.384 16.344 -7.010 1.00 0.00 H new ATOM 891 N LYS A 58 -8.298 17.259 -10.762 1.00 0.00 N ATOM 892 CA LYS A 58 -9.005 17.016 -12.022 1.00 0.00 C ATOM 893 C LYS A 58 -9.628 18.312 -12.547 1.00 0.00 C ATOM 894 O LYS A 58 -10.192 19.044 -11.748 1.00 0.00 O ATOM 895 CB LYS A 58 -10.104 15.966 -11.807 1.00 0.00 C ATOM 896 CG LYS A 58 -9.469 14.620 -11.431 1.00 0.00 C ATOM 897 CD LYS A 58 -10.561 13.564 -11.232 1.00 0.00 C ATOM 898 CE LYS A 58 -9.929 12.242 -10.774 1.00 0.00 C ATOM 899 NZ LYS A 58 -9.401 12.390 -9.386 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.534 18.553 -13.739 1.00 0.00 O ATOM 0 H LYS A 58 -8.740 17.957 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.289 16.649 -12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.782 16.292 -11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.699 15.857 -12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.782 14.301 -12.214 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.884 14.727 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.282 13.909 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.108 13.413 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.670 11.443 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.123 11.959 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.787 11.582 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.853 13.271 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.194 12.420 -8.714 1.00 0.00 H new TER 914 LYS A 58