USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 432 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 11 LYS NZ :NH3+ -153:sc= 0.16 (180deg=-0.814) USER MOD Set 1.2: A 33 ASN : amide:sc= -3.68! C(o=-3.5!,f=-11!) USER MOD Single : A 1 THR N :NH3+ -134:sc= 0.139 (180deg=-0.128) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 4 GLN : amide:sc= -0.545 K(o=-0.55,f=-3.9!) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= -0.141 (180deg=-0.889) USER MOD Single : A 9 ASN : amide:sc= -11.3! C(o=-11!,f=-13!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -39:sc= -4.89! USER MOD Single : A 30 ASN : amide:sc= -2.02! C(o=-2!,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.266 (180deg=-1.08) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0337 K(o=-0.034,f=-0.97) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= -3.18! (180deg=-3.65!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 9.676 21.740 8.949 1.00 0.00 N ATOM 2 CA THR A 1 8.988 21.782 7.628 1.00 0.00 C ATOM 3 C THR A 1 7.922 20.688 7.574 1.00 0.00 C ATOM 4 O THR A 1 7.927 19.761 8.359 1.00 0.00 O ATOM 5 CB THR A 1 10.009 21.554 6.511 1.00 0.00 C ATOM 6 OG1 THR A 1 10.827 20.438 6.838 1.00 0.00 O ATOM 7 CG2 THR A 1 10.881 22.800 6.351 1.00 0.00 C ATOM 0 H1 THR A 1 9.753 22.704 9.331 1.00 0.00 H new ATOM 0 H2 THR A 1 9.128 21.150 9.607 1.00 0.00 H new ATOM 0 H3 THR A 1 10.627 21.336 8.832 1.00 0.00 H new ATOM 0 HA THR A 1 8.517 22.756 7.496 1.00 0.00 H new ATOM 0 HB THR A 1 9.486 21.358 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 1 11.480 20.290 6.122 1.00 0.00 H new ATOM 0 HG21 THR A 1 11.608 22.636 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 1 10.253 23.654 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 1 11.405 23.000 7.285 1.00 0.00 H new ATOM 17 N ILE A 2 7.007 20.789 6.649 1.00 0.00 N ATOM 18 CA ILE A 2 5.938 19.754 6.541 1.00 0.00 C ATOM 19 C ILE A 2 6.087 19.009 5.215 1.00 0.00 C ATOM 20 O ILE A 2 5.137 18.837 4.479 1.00 0.00 O ATOM 21 CB ILE A 2 4.549 20.411 6.604 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.657 21.915 6.319 1.00 0.00 C ATOM 23 CG2 ILE A 2 3.953 20.204 7.996 1.00 0.00 C ATOM 24 CD1 ILE A 2 4.869 22.137 4.820 1.00 0.00 C ATOM 0 H ILE A 2 6.953 21.542 5.964 1.00 0.00 H new ATOM 0 HA ILE A 2 6.036 19.056 7.372 1.00 0.00 H new ATOM 0 HB ILE A 2 3.907 19.952 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.751 22.424 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.486 22.344 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.968 20.669 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.860 19.137 8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.605 20.658 8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.946 23.205 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.787 21.641 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.025 21.723 4.268 1.00 0.00 H new ATOM 36 N ASP A 3 7.272 18.553 4.909 1.00 0.00 N ATOM 37 CA ASP A 3 7.472 17.806 3.637 1.00 0.00 C ATOM 38 C ASP A 3 6.822 16.426 3.760 1.00 0.00 C ATOM 39 O ASP A 3 6.781 15.659 2.819 1.00 0.00 O ATOM 40 CB ASP A 3 8.969 17.642 3.366 1.00 0.00 C ATOM 41 CG ASP A 3 9.187 17.306 1.890 1.00 0.00 C ATOM 42 OD1 ASP A 3 8.625 17.998 1.057 1.00 0.00 O ATOM 43 OD2 ASP A 3 9.913 16.365 1.617 1.00 0.00 O ATOM 0 H ASP A 3 8.107 18.666 5.484 1.00 0.00 H new ATOM 0 HA ASP A 3 7.017 18.357 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.498 18.559 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.379 16.851 3.994 1.00 0.00 H new ATOM 48 N GLN A 4 6.312 16.108 4.920 1.00 0.00 N ATOM 49 CA GLN A 4 5.662 14.785 5.124 1.00 0.00 C ATOM 50 C GLN A 4 4.425 14.669 4.226 1.00 0.00 C ATOM 51 O GLN A 4 3.834 13.614 4.108 1.00 0.00 O ATOM 52 CB GLN A 4 5.242 14.660 6.589 1.00 0.00 C ATOM 53 CG GLN A 4 5.530 13.241 7.088 1.00 0.00 C ATOM 54 CD GLN A 4 4.212 12.546 7.431 1.00 0.00 C ATOM 55 OE1 GLN A 4 3.149 13.074 7.172 1.00 0.00 O ATOM 56 NE2 GLN A 4 4.237 11.377 8.008 1.00 0.00 N ATOM 0 H GLN A 4 6.319 16.714 5.740 1.00 0.00 H new ATOM 0 HA GLN A 4 6.363 13.990 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.783 15.386 7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.181 14.884 6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.064 12.676 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.175 13.276 7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.130 10.934 8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.364 10.905 8.242 1.00 0.00 H new ATOM 65 N TRP A 5 4.024 15.744 3.600 1.00 0.00 N ATOM 66 CA TRP A 5 2.827 15.697 2.717 1.00 0.00 C ATOM 67 C TRP A 5 2.976 14.556 1.693 1.00 0.00 C ATOM 68 O TRP A 5 2.834 13.402 2.031 1.00 0.00 O ATOM 69 CB TRP A 5 2.679 17.061 2.024 1.00 0.00 C ATOM 70 CG TRP A 5 1.236 17.341 1.756 1.00 0.00 C ATOM 71 CD1 TRP A 5 0.447 18.091 2.554 1.00 0.00 C ATOM 72 CD2 TRP A 5 0.398 16.903 0.642 1.00 0.00 C ATOM 73 NE1 TRP A 5 -0.823 18.146 2.006 1.00 0.00 N ATOM 74 CE2 TRP A 5 -0.903 17.431 0.828 1.00 0.00 C ATOM 75 CE3 TRP A 5 0.633 16.111 -0.501 1.00 0.00 C ATOM 76 CZ2 TRP A 5 -1.931 17.182 -0.083 1.00 0.00 C ATOM 77 CZ3 TRP A 5 -0.401 15.860 -1.418 1.00 0.00 C ATOM 78 CH2 TRP A 5 -1.678 16.395 -1.210 1.00 0.00 C ATOM 0 H TRP A 5 4.478 16.655 3.664 1.00 0.00 H new ATOM 0 HA TRP A 5 1.928 15.498 3.300 1.00 0.00 H new ATOM 0 HB2 TRP A 5 3.100 17.846 2.653 1.00 0.00 H new ATOM 0 HB3 TRP A 5 3.239 17.066 1.089 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.756 18.570 3.471 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -1.604 18.653 2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.615 15.695 -0.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.915 17.595 0.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.210 15.251 -2.289 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.468 16.200 -1.920 1.00 0.00 H new ATOM 89 N LEU A 6 3.257 14.858 0.451 1.00 0.00 N ATOM 90 CA LEU A 6 3.409 13.786 -0.577 1.00 0.00 C ATOM 91 C LEU A 6 2.341 12.700 -0.396 1.00 0.00 C ATOM 92 O LEU A 6 2.523 11.574 -0.815 1.00 0.00 O ATOM 93 CB LEU A 6 4.798 13.156 -0.455 1.00 0.00 C ATOM 94 CG LEU A 6 5.674 13.615 -1.622 1.00 0.00 C ATOM 95 CD1 LEU A 6 6.992 12.839 -1.608 1.00 0.00 C ATOM 96 CD2 LEU A 6 4.944 13.353 -2.941 1.00 0.00 C ATOM 0 H LEU A 6 3.388 15.808 0.103 1.00 0.00 H new ATOM 0 HA LEU A 6 3.287 14.233 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.256 13.442 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.717 12.069 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 6 5.879 14.681 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.616 13.166 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.513 13.024 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.788 11.773 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.568 13.680 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.739 12.287 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.004 13.905 -2.953 1.00 0.00 H new ATOM 108 N LEU A 7 1.227 13.018 0.215 1.00 0.00 N ATOM 109 CA LEU A 7 0.150 11.996 0.405 1.00 0.00 C ATOM 110 C LEU A 7 0.551 10.966 1.485 1.00 0.00 C ATOM 111 O LEU A 7 -0.282 10.238 1.983 1.00 0.00 O ATOM 112 CB LEU A 7 -0.126 11.310 -0.953 1.00 0.00 C ATOM 113 CG LEU A 7 -0.116 9.776 -0.832 1.00 0.00 C ATOM 114 CD1 LEU A 7 -1.394 9.309 -0.134 1.00 0.00 C ATOM 115 CD2 LEU A 7 -0.050 9.157 -2.228 1.00 0.00 C ATOM 0 H LEU A 7 1.016 13.942 0.591 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.761 12.482 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.092 11.638 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.626 11.622 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 7 0.752 9.465 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.386 8.222 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.447 9.751 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.261 9.621 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.043 8.070 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.919 9.471 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.859 9.488 -2.730 1.00 0.00 H new ATOM 127 N LYS A 8 1.805 10.887 1.847 1.00 0.00 N ATOM 128 CA LYS A 8 2.218 9.896 2.879 1.00 0.00 C ATOM 129 C LYS A 8 1.497 10.192 4.195 1.00 0.00 C ATOM 130 O LYS A 8 1.987 10.915 5.040 1.00 0.00 O ATOM 131 CB LYS A 8 3.730 9.978 3.088 1.00 0.00 C ATOM 132 CG LYS A 8 4.420 8.970 2.168 1.00 0.00 C ATOM 133 CD LYS A 8 5.387 8.112 2.985 1.00 0.00 C ATOM 134 CE LYS A 8 6.695 8.877 3.199 1.00 0.00 C ATOM 135 NZ LYS A 8 6.587 9.716 4.426 1.00 0.00 N ATOM 0 H LYS A 8 2.558 11.465 1.473 1.00 0.00 H new ATOM 0 HA LYS A 8 1.954 8.893 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.085 10.986 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.977 9.768 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.677 8.337 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.959 9.493 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.941 7.858 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.583 7.173 2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.526 8.178 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.907 9.505 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.529 9.835 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.200 10.648 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.956 9.251 5.110 1.00 0.00 H new ATOM 149 N ASN A 9 0.338 9.625 4.372 1.00 0.00 N ATOM 150 CA ASN A 9 -0.433 9.844 5.628 1.00 0.00 C ATOM 151 C ASN A 9 -1.125 8.531 5.985 1.00 0.00 C ATOM 152 O ASN A 9 -0.813 7.898 6.974 1.00 0.00 O ATOM 153 CB ASN A 9 -1.484 10.947 5.427 1.00 0.00 C ATOM 154 CG ASN A 9 -1.671 11.232 3.932 1.00 0.00 C ATOM 155 OD1 ASN A 9 -0.928 11.998 3.353 1.00 0.00 O ATOM 156 ND2 ASN A 9 -2.639 10.644 3.283 1.00 0.00 N ATOM 0 H ASN A 9 -0.114 9.012 3.693 1.00 0.00 H new ATOM 0 HA ASN A 9 0.237 10.157 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.433 10.641 5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.172 11.856 5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.772 10.828 2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.263 10.001 3.770 1.00 0.00 H new ATOM 163 N ALA A 10 -2.039 8.102 5.160 1.00 0.00 N ATOM 164 CA ALA A 10 -2.729 6.812 5.416 1.00 0.00 C ATOM 165 C ALA A 10 -1.813 5.677 4.940 1.00 0.00 C ATOM 166 O ALA A 10 -2.089 4.511 5.140 1.00 0.00 O ATOM 167 CB ALA A 10 -4.046 6.773 4.639 1.00 0.00 C ATOM 0 H ALA A 10 -2.337 8.593 4.317 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.944 6.701 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.552 5.826 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.684 7.596 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.842 6.870 3.573 1.00 0.00 H new ATOM 173 N LYS A 11 -0.724 6.025 4.300 1.00 0.00 N ATOM 174 CA LYS A 11 0.226 5.003 3.791 1.00 0.00 C ATOM 175 C LYS A 11 0.786 4.183 4.956 1.00 0.00 C ATOM 176 O LYS A 11 1.023 2.999 4.832 1.00 0.00 O ATOM 177 CB LYS A 11 1.361 5.730 3.070 1.00 0.00 C ATOM 178 CG LYS A 11 2.450 4.738 2.676 1.00 0.00 C ATOM 179 CD LYS A 11 3.818 5.409 2.824 1.00 0.00 C ATOM 180 CE LYS A 11 4.912 4.476 2.303 1.00 0.00 C ATOM 181 NZ LYS A 11 4.719 3.112 2.870 1.00 0.00 N ATOM 0 H LYS A 11 -0.454 6.990 4.109 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.281 4.323 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.976 6.232 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.778 6.502 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.396 3.851 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.303 4.407 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.834 6.348 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.003 5.652 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.881 4.436 1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.894 4.860 2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.635 2.622 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.320 3.187 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.067 2.573 2.265 1.00 0.00 H new ATOM 195 N GLU A 12 1.003 4.798 6.086 1.00 0.00 N ATOM 196 CA GLU A 12 1.547 4.042 7.250 1.00 0.00 C ATOM 197 C GLU A 12 0.389 3.464 8.055 1.00 0.00 C ATOM 198 O GLU A 12 0.352 2.286 8.341 1.00 0.00 O ATOM 199 CB GLU A 12 2.370 4.981 8.135 1.00 0.00 C ATOM 200 CG GLU A 12 3.856 4.817 7.809 1.00 0.00 C ATOM 201 CD GLU A 12 4.683 5.041 9.077 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.104 5.008 10.151 1.00 0.00 O ATOM 203 OE2 GLU A 12 5.879 5.241 8.953 1.00 0.00 O ATOM 0 H GLU A 12 0.828 5.789 6.254 1.00 0.00 H new ATOM 0 HA GLU A 12 2.187 3.234 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.063 6.014 7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.191 4.757 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.044 3.820 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.151 5.529 7.039 1.00 0.00 H new ATOM 210 N ASP A 13 -0.568 4.270 8.412 1.00 0.00 N ATOM 211 CA ASP A 13 -1.720 3.732 9.181 1.00 0.00 C ATOM 212 C ASP A 13 -2.301 2.557 8.400 1.00 0.00 C ATOM 213 O ASP A 13 -2.966 1.698 8.944 1.00 0.00 O ATOM 214 CB ASP A 13 -2.786 4.819 9.349 1.00 0.00 C ATOM 215 CG ASP A 13 -2.753 5.353 10.782 1.00 0.00 C ATOM 216 OD1 ASP A 13 -2.260 4.646 11.646 1.00 0.00 O ATOM 217 OD2 ASP A 13 -3.223 6.459 10.991 1.00 0.00 O ATOM 0 H ASP A 13 -0.603 5.269 8.207 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.396 3.408 10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.607 5.630 8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.772 4.413 9.124 1.00 0.00 H new ATOM 222 N ALA A 14 -2.042 2.513 7.121 1.00 0.00 N ATOM 223 CA ALA A 14 -2.562 1.397 6.292 1.00 0.00 C ATOM 224 C ALA A 14 -1.545 0.258 6.291 1.00 0.00 C ATOM 225 O ALA A 14 -1.841 -0.841 6.697 1.00 0.00 O ATOM 226 CB ALA A 14 -2.772 1.882 4.859 1.00 0.00 C ATOM 0 H ALA A 14 -1.490 3.206 6.616 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.510 1.048 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.154 1.063 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.489 2.703 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.823 2.227 4.449 1.00 0.00 H new ATOM 232 N ILE A 15 -0.345 0.520 5.838 1.00 0.00 N ATOM 233 CA ILE A 15 0.705 -0.544 5.806 1.00 0.00 C ATOM 234 C ILE A 15 0.631 -1.369 7.091 1.00 0.00 C ATOM 235 O ILE A 15 0.823 -2.569 7.083 1.00 0.00 O ATOM 236 CB ILE A 15 2.091 0.115 5.694 1.00 0.00 C ATOM 237 CG1 ILE A 15 2.389 0.564 4.249 1.00 0.00 C ATOM 238 CG2 ILE A 15 3.171 -0.883 6.117 1.00 0.00 C ATOM 239 CD1 ILE A 15 1.158 0.428 3.345 1.00 0.00 C ATOM 0 H ILE A 15 -0.046 1.430 5.487 1.00 0.00 H new ATOM 0 HA ILE A 15 0.542 -1.196 4.948 1.00 0.00 H new ATOM 0 HB ILE A 15 2.093 0.989 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.725 1.601 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.205 -0.034 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.152 -0.414 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.999 -1.190 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.133 -1.757 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.410 0.754 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.838 -0.614 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.350 1.047 3.735 1.00 0.00 H new ATOM 251 N ALA A 16 0.348 -0.737 8.195 1.00 0.00 N ATOM 252 CA ALA A 16 0.258 -1.493 9.474 1.00 0.00 C ATOM 253 C ALA A 16 -0.891 -2.492 9.363 1.00 0.00 C ATOM 254 O ALA A 16 -0.756 -3.660 9.669 1.00 0.00 O ATOM 255 CB ALA A 16 -0.014 -0.520 10.625 1.00 0.00 C ATOM 0 H ALA A 16 0.176 0.266 8.267 1.00 0.00 H new ATOM 0 HA ALA A 16 1.193 -2.019 9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.080 -1.074 11.562 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.798 0.205 10.688 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.954 0.002 10.445 1.00 0.00 H new ATOM 261 N GLU A 17 -2.021 -2.025 8.922 1.00 0.00 N ATOM 262 CA GLU A 17 -3.208 -2.909 8.773 1.00 0.00 C ATOM 263 C GLU A 17 -3.041 -3.847 7.570 1.00 0.00 C ATOM 264 O GLU A 17 -3.796 -4.785 7.407 1.00 0.00 O ATOM 265 CB GLU A 17 -4.435 -2.030 8.552 1.00 0.00 C ATOM 266 CG GLU A 17 -4.974 -1.552 9.899 1.00 0.00 C ATOM 267 CD GLU A 17 -6.028 -2.534 10.408 1.00 0.00 C ATOM 268 OE1 GLU A 17 -5.648 -3.504 11.043 1.00 0.00 O ATOM 269 OE2 GLU A 17 -7.199 -2.300 10.155 1.00 0.00 O ATOM 0 H GLU A 17 -2.176 -1.053 8.654 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.319 -3.516 9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.174 -1.174 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.204 -2.589 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.160 -1.471 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.409 -0.558 9.796 1.00 0.00 H new ATOM 276 N LEU A 18 -2.079 -3.608 6.714 1.00 0.00 N ATOM 277 CA LEU A 18 -1.913 -4.503 5.529 1.00 0.00 C ATOM 278 C LEU A 18 -1.002 -5.674 5.892 1.00 0.00 C ATOM 279 O LEU A 18 -1.155 -6.770 5.390 1.00 0.00 O ATOM 280 CB LEU A 18 -1.295 -3.721 4.361 1.00 0.00 C ATOM 281 CG LEU A 18 -1.839 -2.286 4.314 1.00 0.00 C ATOM 282 CD1 LEU A 18 -1.760 -1.766 2.877 1.00 0.00 C ATOM 283 CD2 LEU A 18 -3.299 -2.239 4.790 1.00 0.00 C ATOM 0 H LEU A 18 -1.409 -2.842 6.783 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.892 -4.880 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.210 -3.700 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.515 -4.228 3.422 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.237 -1.663 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.145 -0.747 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.722 -1.775 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.356 -2.405 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.663 -1.212 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.912 -2.868 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.359 -2.603 5.816 1.00 0.00 H new ATOM 295 N LYS A 19 -0.053 -5.455 6.759 1.00 0.00 N ATOM 296 CA LYS A 19 0.866 -6.561 7.150 1.00 0.00 C ATOM 297 C LYS A 19 0.106 -7.570 8.013 1.00 0.00 C ATOM 298 O LYS A 19 0.536 -8.693 8.198 1.00 0.00 O ATOM 299 CB LYS A 19 2.039 -5.990 7.948 1.00 0.00 C ATOM 300 CG LYS A 19 3.344 -6.612 7.455 1.00 0.00 C ATOM 301 CD LYS A 19 4.355 -5.503 7.159 1.00 0.00 C ATOM 302 CE LYS A 19 4.459 -4.574 8.370 1.00 0.00 C ATOM 303 NZ LYS A 19 5.669 -3.714 8.238 1.00 0.00 N ATOM 0 H LYS A 19 0.126 -4.560 7.213 1.00 0.00 H new ATOM 0 HA LYS A 19 1.242 -7.057 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.075 -4.906 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.904 -6.196 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.743 -7.292 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.162 -7.202 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.330 -5.935 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.045 -4.939 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.566 -3.954 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.516 -5.160 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.738 -3.083 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.517 -4.314 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.597 -3.144 7.371 1.00 0.00 H new ATOM 317 N LYS A 20 -1.020 -7.181 8.544 1.00 0.00 N ATOM 318 CA LYS A 20 -1.806 -8.116 9.397 1.00 0.00 C ATOM 319 C LYS A 20 -2.895 -8.783 8.556 1.00 0.00 C ATOM 320 O LYS A 20 -3.389 -9.841 8.890 1.00 0.00 O ATOM 321 CB LYS A 20 -2.451 -7.338 10.545 1.00 0.00 C ATOM 322 CG LYS A 20 -3.264 -8.296 11.418 1.00 0.00 C ATOM 323 CD LYS A 20 -2.321 -9.076 12.335 1.00 0.00 C ATOM 324 CE LYS A 20 -2.796 -8.948 13.784 1.00 0.00 C ATOM 325 NZ LYS A 20 -3.633 -10.131 14.134 1.00 0.00 N ATOM 0 H LYS A 20 -1.430 -6.255 8.424 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.144 -8.881 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.683 -6.848 11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.096 -6.553 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.987 -7.738 12.013 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.830 -8.984 10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.296 -10.125 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.305 -8.694 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.940 -8.883 14.455 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.371 -8.031 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.958 -10.047 15.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.456 -10.173 13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.069 -10.999 14.028 1.00 0.00 H new ATOM 339 N ALA A 21 -3.274 -8.174 7.467 1.00 0.00 N ATOM 340 CA ALA A 21 -4.332 -8.778 6.609 1.00 0.00 C ATOM 341 C ALA A 21 -3.802 -10.069 5.981 1.00 0.00 C ATOM 342 O ALA A 21 -4.552 -10.967 5.658 1.00 0.00 O ATOM 343 CB ALA A 21 -4.721 -7.790 5.508 1.00 0.00 C ATOM 0 H ALA A 21 -2.898 -7.286 7.134 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.209 -9.005 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.495 -8.231 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.099 -6.873 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.846 -7.561 4.899 1.00 0.00 H new ATOM 349 N GLY A 22 -2.511 -10.170 5.808 1.00 0.00 N ATOM 350 CA GLY A 22 -1.934 -11.404 5.204 1.00 0.00 C ATOM 351 C GLY A 22 -1.347 -11.074 3.831 1.00 0.00 C ATOM 352 O GLY A 22 -0.476 -11.760 3.335 1.00 0.00 O ATOM 0 H GLY A 22 -1.832 -9.451 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.160 -11.812 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.705 -12.169 5.107 1.00 0.00 H new ATOM 356 N ILE A 23 -1.820 -10.027 3.212 1.00 0.00 N ATOM 357 CA ILE A 23 -1.292 -9.651 1.871 1.00 0.00 C ATOM 358 C ILE A 23 0.089 -9.016 2.020 1.00 0.00 C ATOM 359 O ILE A 23 0.215 -7.822 2.207 1.00 0.00 O ATOM 360 CB ILE A 23 -2.232 -8.643 1.214 1.00 0.00 C ATOM 361 CG1 ILE A 23 -3.651 -9.207 1.178 1.00 0.00 C ATOM 362 CG2 ILE A 23 -1.761 -8.362 -0.215 1.00 0.00 C ATOM 363 CD1 ILE A 23 -4.558 -8.237 0.423 1.00 0.00 C ATOM 0 H ILE A 23 -2.550 -9.416 3.578 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.220 -10.547 1.254 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.226 -7.718 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.655 -10.182 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.022 -9.356 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.432 -7.642 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.750 -7.954 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.765 -9.289 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.572 -8.635 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.561 -7.272 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.189 -8.111 -0.595 1.00 0.00 H new ATOM 375 N THR A 24 1.127 -9.796 1.929 1.00 0.00 N ATOM 376 CA THR A 24 2.493 -9.223 2.053 1.00 0.00 C ATOM 377 C THR A 24 3.048 -8.943 0.655 1.00 0.00 C ATOM 378 O THR A 24 4.188 -8.556 0.494 1.00 0.00 O ATOM 379 CB THR A 24 3.400 -10.215 2.784 1.00 0.00 C ATOM 380 OG1 THR A 24 3.026 -11.542 2.439 1.00 0.00 O ATOM 381 CG2 THR A 24 3.255 -10.014 4.293 1.00 0.00 C ATOM 0 H THR A 24 1.089 -10.803 1.774 1.00 0.00 H new ATOM 0 HA THR A 24 2.453 -8.293 2.621 1.00 0.00 H new ATOM 0 HB THR A 24 4.437 -10.047 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.608 -12.178 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.900 -10.719 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.543 -8.996 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.219 -10.184 4.585 1.00 0.00 H new ATOM 389 N SER A 25 2.243 -9.129 -0.360 1.00 0.00 N ATOM 390 CA SER A 25 2.718 -8.867 -1.746 1.00 0.00 C ATOM 391 C SER A 25 3.201 -7.420 -1.842 1.00 0.00 C ATOM 392 O SER A 25 2.589 -6.516 -1.309 1.00 0.00 O ATOM 393 CB SER A 25 1.567 -9.091 -2.728 1.00 0.00 C ATOM 394 OG SER A 25 2.098 -9.392 -4.011 1.00 0.00 O ATOM 0 H SER A 25 1.278 -9.451 -0.286 1.00 0.00 H new ATOM 0 HA SER A 25 3.537 -9.543 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.933 -9.908 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.940 -8.201 -2.781 1.00 0.00 H new ATOM 0 HG SER A 25 1.363 -9.538 -4.643 1.00 0.00 H new ATOM 400 N ASP A 26 4.296 -7.192 -2.511 1.00 0.00 N ATOM 401 CA ASP A 26 4.818 -5.801 -2.629 1.00 0.00 C ATOM 402 C ASP A 26 4.263 -5.145 -3.892 1.00 0.00 C ATOM 403 O ASP A 26 4.467 -3.974 -4.132 1.00 0.00 O ATOM 404 CB ASP A 26 6.346 -5.834 -2.700 1.00 0.00 C ATOM 405 CG ASP A 26 6.907 -6.314 -1.361 1.00 0.00 C ATOM 406 OD1 ASP A 26 6.932 -7.514 -1.146 1.00 0.00 O ATOM 407 OD2 ASP A 26 7.304 -5.472 -0.572 1.00 0.00 O ATOM 0 H ASP A 26 4.852 -7.907 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 26 4.505 -5.225 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.669 -6.498 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.732 -4.842 -2.934 1.00 0.00 H new ATOM 412 N PHE A 27 3.557 -5.884 -4.698 1.00 0.00 N ATOM 413 CA PHE A 27 2.990 -5.288 -5.937 1.00 0.00 C ATOM 414 C PHE A 27 1.810 -4.397 -5.553 1.00 0.00 C ATOM 415 O PHE A 27 1.366 -3.567 -6.322 1.00 0.00 O ATOM 416 CB PHE A 27 2.536 -6.417 -6.881 1.00 0.00 C ATOM 417 CG PHE A 27 1.355 -5.978 -7.721 1.00 0.00 C ATOM 418 CD1 PHE A 27 1.520 -5.000 -8.708 1.00 0.00 C ATOM 419 CD2 PHE A 27 0.096 -6.556 -7.511 1.00 0.00 C ATOM 420 CE1 PHE A 27 0.427 -4.600 -9.487 1.00 0.00 C ATOM 421 CE2 PHE A 27 -0.996 -6.156 -8.290 1.00 0.00 C ATOM 422 CZ PHE A 27 -0.830 -5.178 -9.278 1.00 0.00 C ATOM 0 H PHE A 27 3.348 -6.872 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 27 3.739 -4.687 -6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.362 -6.707 -7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.265 -7.297 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.490 -4.554 -8.869 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.032 -7.310 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.554 -3.845 -10.249 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.966 -6.602 -8.129 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.673 -4.870 -9.879 1.00 0.00 H new ATOM 432 N TYR A 28 1.310 -4.555 -4.366 1.00 0.00 N ATOM 433 CA TYR A 28 0.171 -3.711 -3.927 1.00 0.00 C ATOM 434 C TYR A 28 0.702 -2.654 -2.973 1.00 0.00 C ATOM 435 O TYR A 28 0.443 -1.479 -3.120 1.00 0.00 O ATOM 436 CB TYR A 28 -0.858 -4.577 -3.206 1.00 0.00 C ATOM 437 CG TYR A 28 -1.613 -5.400 -4.217 1.00 0.00 C ATOM 438 CD1 TYR A 28 -2.193 -4.781 -5.326 1.00 0.00 C ATOM 439 CD2 TYR A 28 -1.728 -6.783 -4.046 1.00 0.00 C ATOM 440 CE1 TYR A 28 -2.893 -5.542 -6.265 1.00 0.00 C ATOM 441 CE2 TYR A 28 -2.427 -7.548 -4.984 1.00 0.00 C ATOM 442 CZ TYR A 28 -3.010 -6.926 -6.094 1.00 0.00 C ATOM 443 OH TYR A 28 -3.698 -7.675 -7.021 1.00 0.00 O ATOM 0 H TYR A 28 1.640 -5.233 -3.679 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.303 -3.239 -4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.362 -5.229 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.548 -3.949 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.100 -3.713 -5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.277 -7.260 -3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.343 -5.063 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.517 -8.616 -4.853 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.490 -7.180 -7.319 1.00 0.00 H new ATOM 453 N PHE A 29 1.451 -3.074 -1.997 1.00 0.00 N ATOM 454 CA PHE A 29 2.015 -2.112 -1.020 1.00 0.00 C ATOM 455 C PHE A 29 2.813 -1.049 -1.769 1.00 0.00 C ATOM 456 O PHE A 29 2.698 0.131 -1.503 1.00 0.00 O ATOM 457 CB PHE A 29 2.945 -2.857 -0.066 1.00 0.00 C ATOM 458 CG PHE A 29 2.139 -3.609 0.973 1.00 0.00 C ATOM 459 CD1 PHE A 29 0.917 -4.205 0.629 1.00 0.00 C ATOM 460 CD2 PHE A 29 2.629 -3.733 2.277 1.00 0.00 C ATOM 461 CE1 PHE A 29 0.193 -4.921 1.587 1.00 0.00 C ATOM 462 CE2 PHE A 29 1.902 -4.445 3.236 1.00 0.00 C ATOM 463 CZ PHE A 29 0.686 -5.042 2.889 1.00 0.00 C ATOM 0 H PHE A 29 1.698 -4.050 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 29 1.209 -1.640 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.569 -3.553 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.615 -2.151 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.535 -4.111 -0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.571 -3.278 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.747 -5.381 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.279 -4.534 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.127 -5.597 3.628 1.00 0.00 H new ATOM 473 N ASN A 30 3.626 -1.456 -2.706 1.00 0.00 N ATOM 474 CA ASN A 30 4.432 -0.463 -3.469 1.00 0.00 C ATOM 475 C ASN A 30 3.489 0.492 -4.197 1.00 0.00 C ATOM 476 O ASN A 30 3.690 1.690 -4.210 1.00 0.00 O ATOM 477 CB ASN A 30 5.306 -1.189 -4.492 1.00 0.00 C ATOM 478 CG ASN A 30 6.603 -1.647 -3.823 1.00 0.00 C ATOM 479 OD1 ASN A 30 6.732 -2.792 -3.440 1.00 0.00 O ATOM 480 ND2 ASN A 30 7.577 -0.793 -3.666 1.00 0.00 N ATOM 0 H ASN A 30 3.766 -2.430 -2.975 1.00 0.00 H new ATOM 0 HA ASN A 30 5.068 0.096 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.771 -2.048 -4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.530 -0.528 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.447 -1.087 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.469 0.169 -3.988 1.00 0.00 H new ATOM 487 N ALA A 31 2.462 -0.032 -4.806 1.00 0.00 N ATOM 488 CA ALA A 31 1.504 0.839 -5.539 1.00 0.00 C ATOM 489 C ALA A 31 0.635 1.607 -4.536 1.00 0.00 C ATOM 490 O ALA A 31 -0.040 2.555 -4.886 1.00 0.00 O ATOM 491 CB ALA A 31 0.613 -0.030 -6.429 1.00 0.00 C ATOM 0 H ALA A 31 2.245 -1.028 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 31 2.055 1.550 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.091 0.604 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.232 -0.574 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.063 -0.739 -5.811 1.00 0.00 H new ATOM 497 N ILE A 32 0.650 1.207 -3.293 1.00 0.00 N ATOM 498 CA ILE A 32 -0.174 1.916 -2.271 1.00 0.00 C ATOM 499 C ILE A 32 0.446 3.293 -2.001 1.00 0.00 C ATOM 500 O ILE A 32 -0.249 4.280 -1.857 1.00 0.00 O ATOM 501 CB ILE A 32 -0.214 1.084 -0.977 1.00 0.00 C ATOM 502 CG1 ILE A 32 -1.288 -0.002 -1.101 1.00 0.00 C ATOM 503 CG2 ILE A 32 -0.550 1.983 0.218 1.00 0.00 C ATOM 504 CD1 ILE A 32 -1.501 -0.674 0.257 1.00 0.00 C ATOM 0 H ILE A 32 1.196 0.421 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.193 2.046 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 32 0.763 0.627 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.223 0.436 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.986 -0.743 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.576 1.384 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.210 2.758 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.524 2.447 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.265 -1.446 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.567 -1.126 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.823 0.071 0.985 1.00 0.00 H new ATOM 516 N ASN A 33 1.747 3.367 -1.936 1.00 0.00 N ATOM 517 CA ASN A 33 2.408 4.678 -1.681 1.00 0.00 C ATOM 518 C ASN A 33 2.386 5.514 -2.963 1.00 0.00 C ATOM 519 O ASN A 33 2.537 6.719 -2.934 1.00 0.00 O ATOM 520 CB ASN A 33 3.859 4.446 -1.249 1.00 0.00 C ATOM 521 CG ASN A 33 3.968 3.118 -0.496 1.00 0.00 C ATOM 522 OD1 ASN A 33 3.193 2.849 0.400 1.00 0.00 O ATOM 523 ND2 ASN A 33 4.905 2.268 -0.825 1.00 0.00 N ATOM 0 H ASN A 33 2.381 2.576 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 33 1.875 5.206 -0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.511 4.434 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.194 5.265 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.985 1.380 -0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.556 2.493 -1.577 1.00 0.00 H new ATOM 530 N LYS A 34 2.201 4.879 -4.088 1.00 0.00 N ATOM 531 CA LYS A 34 2.169 5.627 -5.376 1.00 0.00 C ATOM 532 C LYS A 34 0.836 6.365 -5.508 1.00 0.00 C ATOM 533 O LYS A 34 0.685 7.252 -6.326 1.00 0.00 O ATOM 534 CB LYS A 34 2.312 4.639 -6.535 1.00 0.00 C ATOM 535 CG LYS A 34 3.759 4.635 -7.034 1.00 0.00 C ATOM 536 CD LYS A 34 4.013 3.369 -7.855 1.00 0.00 C ATOM 537 CE LYS A 34 4.302 3.750 -9.309 1.00 0.00 C ATOM 538 NZ LYS A 34 5.379 2.871 -9.848 1.00 0.00 N ATOM 0 H LYS A 34 2.070 3.871 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 34 2.987 6.347 -5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.027 3.639 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.638 4.915 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.947 5.520 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.446 4.677 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.855 2.816 -7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.145 2.711 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.398 3.646 -9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.607 4.795 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.576 3.129 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.242 2.991 -9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.071 1.878 -9.804 1.00 0.00 H new ATOM 552 N ALA A 35 -0.132 6.001 -4.711 1.00 0.00 N ATOM 553 CA ALA A 35 -1.464 6.670 -4.782 1.00 0.00 C ATOM 554 C ALA A 35 -1.280 8.176 -4.985 1.00 0.00 C ATOM 555 O ALA A 35 -0.218 8.719 -4.754 1.00 0.00 O ATOM 556 CB ALA A 35 -2.224 6.427 -3.477 1.00 0.00 C ATOM 0 H ALA A 35 -0.057 5.264 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.027 6.259 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.197 6.915 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.362 5.356 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.655 6.837 -2.643 1.00 0.00 H new ATOM 562 N LYS A 36 -2.311 8.852 -5.410 1.00 0.00 N ATOM 563 CA LYS A 36 -2.204 10.323 -5.622 1.00 0.00 C ATOM 564 C LYS A 36 -2.858 11.045 -4.444 1.00 0.00 C ATOM 565 O LYS A 36 -2.603 12.207 -4.193 1.00 0.00 O ATOM 566 CB LYS A 36 -2.918 10.707 -6.919 1.00 0.00 C ATOM 567 CG LYS A 36 -2.053 11.692 -7.710 1.00 0.00 C ATOM 568 CD LYS A 36 -2.948 12.579 -8.578 1.00 0.00 C ATOM 569 CE LYS A 36 -2.079 13.521 -9.412 1.00 0.00 C ATOM 570 NZ LYS A 36 -0.940 14.011 -8.585 1.00 0.00 N ATOM 0 H LYS A 36 -3.224 8.449 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.155 10.609 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.112 9.816 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.885 11.156 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.467 12.307 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.345 11.149 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.565 11.962 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.627 13.155 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.705 13.002 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.674 14.363 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.544 14.871 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.276 14.227 -7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.205 13.277 -8.537 1.00 0.00 H new ATOM 584 N THR A 37 -3.702 10.362 -3.721 1.00 0.00 N ATOM 585 CA THR A 37 -4.378 10.998 -2.557 1.00 0.00 C ATOM 586 C THR A 37 -4.742 9.916 -1.539 1.00 0.00 C ATOM 587 O THR A 37 -4.474 8.749 -1.746 1.00 0.00 O ATOM 588 CB THR A 37 -5.652 11.703 -3.032 1.00 0.00 C ATOM 589 OG1 THR A 37 -6.354 10.851 -3.926 1.00 0.00 O ATOM 590 CG2 THR A 37 -5.281 13.004 -3.748 1.00 0.00 C ATOM 0 H THR A 37 -3.953 9.387 -3.887 1.00 0.00 H new ATOM 0 HA THR A 37 -3.712 11.727 -2.096 1.00 0.00 H new ATOM 0 HB THR A 37 -6.284 11.932 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.171 11.298 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.188 13.505 -4.086 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.741 13.656 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.649 12.779 -4.607 1.00 0.00 H new ATOM 598 N VAL A 38 -5.351 10.284 -0.445 1.00 0.00 N ATOM 599 CA VAL A 38 -5.729 9.262 0.571 1.00 0.00 C ATOM 600 C VAL A 38 -6.771 8.328 -0.032 1.00 0.00 C ATOM 601 O VAL A 38 -6.755 7.136 0.190 1.00 0.00 O ATOM 602 CB VAL A 38 -6.308 9.955 1.805 1.00 0.00 C ATOM 603 CG1 VAL A 38 -6.481 8.932 2.930 1.00 0.00 C ATOM 604 CG2 VAL A 38 -5.352 11.061 2.261 1.00 0.00 C ATOM 0 H VAL A 38 -5.602 11.245 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.849 8.690 0.865 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.277 10.390 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.894 9.425 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.160 8.144 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.513 8.497 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.762 11.557 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.384 10.626 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.228 11.789 1.459 1.00 0.00 H new ATOM 614 N GLU A 39 -7.672 8.858 -0.804 1.00 0.00 N ATOM 615 CA GLU A 39 -8.708 7.996 -1.435 1.00 0.00 C ATOM 616 C GLU A 39 -8.023 7.033 -2.405 1.00 0.00 C ATOM 617 O GLU A 39 -8.490 5.937 -2.644 1.00 0.00 O ATOM 618 CB GLU A 39 -9.707 8.869 -2.198 1.00 0.00 C ATOM 619 CG GLU A 39 -10.637 9.568 -1.205 1.00 0.00 C ATOM 620 CD GLU A 39 -11.367 10.713 -1.910 1.00 0.00 C ATOM 621 OE1 GLU A 39 -10.724 11.709 -2.201 1.00 0.00 O ATOM 622 OE2 GLU A 39 -12.556 10.575 -2.145 1.00 0.00 O ATOM 0 H GLU A 39 -7.738 9.851 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.240 7.433 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.176 9.608 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.288 8.257 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.358 8.856 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.063 9.953 -0.362 1.00 0.00 H new ATOM 629 N GLU A 40 -6.908 7.433 -2.955 1.00 0.00 N ATOM 630 CA GLU A 40 -6.179 6.544 -3.901 1.00 0.00 C ATOM 631 C GLU A 40 -5.390 5.512 -3.097 1.00 0.00 C ATOM 632 O GLU A 40 -5.199 4.390 -3.521 1.00 0.00 O ATOM 633 CB GLU A 40 -5.224 7.379 -4.755 1.00 0.00 C ATOM 634 CG GLU A 40 -5.546 7.179 -6.237 1.00 0.00 C ATOM 635 CD GLU A 40 -5.282 5.723 -6.626 1.00 0.00 C ATOM 636 OE1 GLU A 40 -4.876 4.964 -5.762 1.00 0.00 O ATOM 637 OE2 GLU A 40 -5.489 5.393 -7.782 1.00 0.00 O ATOM 0 H GLU A 40 -6.471 8.339 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.887 6.036 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.314 8.433 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.193 7.088 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.588 7.435 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.935 7.845 -6.846 1.00 0.00 H new ATOM 644 N VAL A 41 -4.948 5.877 -1.924 1.00 0.00 N ATOM 645 CA VAL A 41 -4.193 4.911 -1.083 1.00 0.00 C ATOM 646 C VAL A 41 -5.170 3.846 -0.587 1.00 0.00 C ATOM 647 O VAL A 41 -5.082 2.688 -0.942 1.00 0.00 O ATOM 648 CB VAL A 41 -3.579 5.640 0.118 1.00 0.00 C ATOM 649 CG1 VAL A 41 -2.577 4.722 0.824 1.00 0.00 C ATOM 650 CG2 VAL A 41 -2.857 6.901 -0.364 1.00 0.00 C ATOM 0 H VAL A 41 -5.078 6.802 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.393 4.452 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.372 5.914 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.143 5.244 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.088 3.824 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.786 4.444 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.421 7.419 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.068 6.624 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.568 7.559 -0.863 1.00 0.00 H new ATOM 660 N ASN A 42 -6.113 4.243 0.222 1.00 0.00 N ATOM 661 CA ASN A 42 -7.116 3.273 0.739 1.00 0.00 C ATOM 662 C ASN A 42 -7.801 2.577 -0.438 1.00 0.00 C ATOM 663 O ASN A 42 -8.170 1.423 -0.360 1.00 0.00 O ATOM 664 CB ASN A 42 -8.168 4.022 1.558 1.00 0.00 C ATOM 665 CG ASN A 42 -7.558 4.469 2.888 1.00 0.00 C ATOM 666 OD1 ASN A 42 -6.799 3.741 3.497 1.00 0.00 O ATOM 667 ND2 ASN A 42 -7.860 5.645 3.364 1.00 0.00 N ATOM 0 H ASN A 42 -6.232 5.202 0.548 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.618 2.533 1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.528 4.888 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.029 3.379 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.459 5.955 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.497 6.254 2.851 1.00 0.00 H new ATOM 674 N ALA A 43 -7.976 3.273 -1.528 1.00 0.00 N ATOM 675 CA ALA A 43 -8.639 2.653 -2.707 1.00 0.00 C ATOM 676 C ALA A 43 -7.811 1.462 -3.181 1.00 0.00 C ATOM 677 O ALA A 43 -8.339 0.421 -3.519 1.00 0.00 O ATOM 678 CB ALA A 43 -8.747 3.679 -3.836 1.00 0.00 C ATOM 0 H ALA A 43 -7.688 4.244 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.638 2.319 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.233 3.222 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.336 4.532 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.749 4.016 -4.118 1.00 0.00 H new ATOM 684 N LEU A 44 -6.515 1.605 -3.215 1.00 0.00 N ATOM 685 CA LEU A 44 -5.659 0.479 -3.677 1.00 0.00 C ATOM 686 C LEU A 44 -5.908 -0.759 -2.811 1.00 0.00 C ATOM 687 O LEU A 44 -6.133 -1.841 -3.314 1.00 0.00 O ATOM 688 CB LEU A 44 -4.191 0.888 -3.577 1.00 0.00 C ATOM 689 CG LEU A 44 -3.762 1.519 -4.898 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.941 2.779 -4.623 1.00 0.00 C ATOM 691 CD2 LEU A 44 -2.916 0.518 -5.690 1.00 0.00 C ATOM 0 H LEU A 44 -6.014 2.451 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.905 0.241 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.052 1.595 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.572 0.019 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.647 1.785 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.636 3.228 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.545 3.491 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.056 2.517 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.609 0.968 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.032 0.250 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.504 -0.378 -5.889 1.00 0.00 H new ATOM 703 N LYS A 45 -5.863 -0.616 -1.516 1.00 0.00 N ATOM 704 CA LYS A 45 -6.085 -1.796 -0.628 1.00 0.00 C ATOM 705 C LYS A 45 -7.358 -2.542 -1.036 1.00 0.00 C ATOM 706 O LYS A 45 -7.469 -3.738 -0.847 1.00 0.00 O ATOM 707 CB LYS A 45 -6.226 -1.326 0.820 1.00 0.00 C ATOM 708 CG LYS A 45 -5.980 -2.507 1.760 1.00 0.00 C ATOM 709 CD LYS A 45 -4.477 -2.774 1.857 1.00 0.00 C ATOM 710 CE LYS A 45 -4.234 -4.152 2.476 1.00 0.00 C ATOM 711 NZ LYS A 45 -4.018 -5.155 1.398 1.00 0.00 N ATOM 0 H LYS A 45 -5.683 0.264 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.232 -2.468 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.513 -0.527 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.222 -0.915 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.387 -2.291 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.495 -3.394 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.025 -2.725 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.000 -2.004 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.365 -4.118 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.087 -4.441 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.737 -6.063 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.899 -5.281 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.267 -4.822 0.760 1.00 0.00 H new ATOM 725 N ASN A 46 -8.324 -1.855 -1.578 1.00 0.00 N ATOM 726 CA ASN A 46 -9.588 -2.542 -1.974 1.00 0.00 C ATOM 727 C ASN A 46 -9.404 -3.256 -3.317 1.00 0.00 C ATOM 728 O ASN A 46 -9.786 -4.399 -3.478 1.00 0.00 O ATOM 729 CB ASN A 46 -10.714 -1.513 -2.096 1.00 0.00 C ATOM 730 CG ASN A 46 -11.303 -1.233 -0.715 1.00 0.00 C ATOM 731 OD1 ASN A 46 -11.759 -2.135 -0.040 1.00 0.00 O ATOM 732 ND2 ASN A 46 -11.314 -0.009 -0.261 1.00 0.00 N ATOM 0 H ASN A 46 -8.295 -0.852 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.843 -3.278 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.332 -0.591 -2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.490 -1.885 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.705 0.190 0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.931 0.748 -0.827 1.00 0.00 H new ATOM 739 N GLU A 47 -8.834 -2.594 -4.285 1.00 0.00 N ATOM 740 CA GLU A 47 -8.643 -3.236 -5.617 1.00 0.00 C ATOM 741 C GLU A 47 -7.891 -4.556 -5.458 1.00 0.00 C ATOM 742 O GLU A 47 -8.057 -5.466 -6.241 1.00 0.00 O ATOM 743 CB GLU A 47 -7.849 -2.300 -6.528 1.00 0.00 C ATOM 744 CG GLU A 47 -8.788 -1.237 -7.106 1.00 0.00 C ATOM 745 CD GLU A 47 -8.284 -0.805 -8.483 1.00 0.00 C ATOM 746 OE1 GLU A 47 -7.920 -1.673 -9.257 1.00 0.00 O ATOM 747 OE2 GLU A 47 -8.272 0.388 -8.740 1.00 0.00 O ATOM 0 H GLU A 47 -8.492 -1.636 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.619 -3.433 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.044 -1.824 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.384 -2.867 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.800 -1.635 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.836 -0.377 -6.438 1.00 0.00 H new ATOM 754 N ILE A 48 -7.072 -4.676 -4.455 1.00 0.00 N ATOM 755 CA ILE A 48 -6.328 -5.952 -4.263 1.00 0.00 C ATOM 756 C ILE A 48 -7.326 -7.092 -4.067 1.00 0.00 C ATOM 757 O ILE A 48 -7.186 -8.162 -4.625 1.00 0.00 O ATOM 758 CB ILE A 48 -5.449 -5.845 -3.024 1.00 0.00 C ATOM 759 CG1 ILE A 48 -4.608 -4.573 -3.094 1.00 0.00 C ATOM 760 CG2 ILE A 48 -4.541 -7.063 -2.959 1.00 0.00 C ATOM 761 CD1 ILE A 48 -3.650 -4.540 -1.907 1.00 0.00 C ATOM 0 H ILE A 48 -6.885 -3.951 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.708 -6.147 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.073 -5.803 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.049 -4.543 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.253 -3.695 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.907 -6.997 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.148 -7.967 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.917 -7.099 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.046 -3.633 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.221 -4.551 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.997 -5.412 -1.942 1.00 0.00 H new ATOM 773 N LEU A 49 -8.326 -6.868 -3.267 1.00 0.00 N ATOM 774 CA LEU A 49 -9.338 -7.931 -3.010 1.00 0.00 C ATOM 775 C LEU A 49 -9.957 -8.412 -4.329 1.00 0.00 C ATOM 776 O LEU A 49 -10.546 -9.473 -4.389 1.00 0.00 O ATOM 777 CB LEU A 49 -10.439 -7.365 -2.108 1.00 0.00 C ATOM 778 CG LEU A 49 -10.290 -7.919 -0.685 1.00 0.00 C ATOM 779 CD1 LEU A 49 -10.815 -9.354 -0.636 1.00 0.00 C ATOM 780 CD2 LEU A 49 -8.814 -7.904 -0.272 1.00 0.00 C ATOM 0 H LEU A 49 -8.489 -5.989 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.851 -8.776 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.382 -6.277 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.418 -7.627 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.863 -7.296 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.708 -9.746 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.867 -9.366 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.244 -9.974 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.715 -8.299 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.237 -8.522 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.439 -6.881 -0.301 1.00 0.00 H new ATOM 792 N LYS A 50 -9.851 -7.644 -5.383 1.00 0.00 N ATOM 793 CA LYS A 50 -10.463 -8.080 -6.676 1.00 0.00 C ATOM 794 C LYS A 50 -9.396 -8.653 -7.617 1.00 0.00 C ATOM 795 O LYS A 50 -9.489 -9.781 -8.060 1.00 0.00 O ATOM 796 CB LYS A 50 -11.130 -6.882 -7.349 1.00 0.00 C ATOM 797 CG LYS A 50 -12.649 -7.007 -7.223 1.00 0.00 C ATOM 798 CD LYS A 50 -13.126 -6.205 -6.012 1.00 0.00 C ATOM 799 CE LYS A 50 -13.726 -7.155 -4.975 1.00 0.00 C ATOM 800 NZ LYS A 50 -14.866 -6.484 -4.290 1.00 0.00 N ATOM 0 H LYS A 50 -9.373 -6.743 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.200 -8.855 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.791 -5.956 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.844 -6.836 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.131 -6.640 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.931 -8.054 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.293 -5.654 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.869 -5.469 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.066 -8.071 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.968 -7.442 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.275 -7.129 -3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.528 -5.622 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.592 -6.232 -4.991 1.00 0.00 H new ATOM 814 N ALA A 51 -8.401 -7.878 -7.942 1.00 0.00 N ATOM 815 CA ALA A 51 -7.338 -8.360 -8.870 1.00 0.00 C ATOM 816 C ALA A 51 -6.302 -9.183 -8.107 1.00 0.00 C ATOM 817 O ALA A 51 -5.114 -8.996 -8.271 1.00 0.00 O ATOM 818 CB ALA A 51 -6.642 -7.152 -9.493 1.00 0.00 C ATOM 0 H ALA A 51 -8.276 -6.924 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.793 -8.982 -9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.862 -7.493 -10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.370 -6.557 -10.044 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.196 -6.543 -8.706 1.00 0.00 H new ATOM 824 N HIS A 52 -6.726 -10.090 -7.275 1.00 0.00 N ATOM 825 CA HIS A 52 -5.739 -10.900 -6.517 1.00 0.00 C ATOM 826 C HIS A 52 -6.466 -11.715 -5.439 1.00 0.00 C ATOM 827 O HIS A 52 -6.755 -12.880 -5.620 1.00 0.00 O ATOM 828 CB HIS A 52 -4.718 -9.944 -5.881 1.00 0.00 C ATOM 829 CG HIS A 52 -4.086 -10.569 -4.670 1.00 0.00 C ATOM 830 ND1 HIS A 52 -4.328 -10.092 -3.397 1.00 0.00 N ATOM 831 CD2 HIS A 52 -3.209 -11.614 -4.522 1.00 0.00 C ATOM 832 CE1 HIS A 52 -3.607 -10.835 -2.540 1.00 0.00 C ATOM 833 NE2 HIS A 52 -2.906 -11.781 -3.173 1.00 0.00 N ATOM 0 H HIS A 52 -7.706 -10.304 -7.089 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.222 -11.595 -7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.948 -9.690 -6.609 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -5.210 -9.013 -5.600 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.814 -12.215 -5.328 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.595 -10.686 -1.470 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.284 -12.475 -2.758 1.00 0.00 H new ATOM 841 N ALA A 53 -6.760 -11.112 -4.320 1.00 0.00 N ATOM 842 CA ALA A 53 -7.464 -11.858 -3.240 1.00 0.00 C ATOM 843 C ALA A 53 -8.639 -12.634 -3.839 1.00 0.00 C ATOM 844 O ALA A 53 -8.776 -13.804 -3.519 1.00 0.00 O ATOM 845 CB ALA A 53 -7.984 -10.872 -2.194 1.00 0.00 C ATOM 846 OXT ALA A 53 -9.384 -12.045 -4.606 1.00 0.00 O ATOM 0 H ALA A 53 -6.544 -10.138 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.771 -12.555 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.499 -11.418 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.147 -10.319 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.677 -10.175 -2.664 1.00 0.00 H new TER 852 ALA A 53