USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=9 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 4 GLN : amide:sc= -0.733 K(o=-0.73,f=-4.8!) USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc=0.000165 USER MOD Single : A 1 THR N :NH3+ -128:sc= 0.365 (180deg=0.0104) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -5.99! C(o=-6!,f=-2.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 101:sc= -4.48! USER MOD Single : A 30 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.9!) USER MOD Single : A 33 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.81! K(o=-2.8!,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= -1.73 (180deg=-6.95!) USER MOD Single : A 46 ASN : amide:sc= -2.5 K(o=-2.5,f=-6.6!) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.406) USER MOD Single : A 52 HIS : no HE2:sc= -16.1! C(o=-16!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -6.386 23.403 5.679 1.00 0.00 N ATOM 2 CA THR A 1 -6.493 21.918 5.766 1.00 0.00 C ATOM 3 C THR A 1 -6.318 21.311 4.373 1.00 0.00 C ATOM 4 O THR A 1 -7.132 20.533 3.919 1.00 0.00 O ATOM 5 CB THR A 1 -7.870 21.537 6.315 1.00 0.00 C ATOM 6 OG1 THR A 1 -8.791 22.585 6.047 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.778 21.311 7.824 1.00 0.00 C ATOM 0 H1 THR A 1 -5.687 23.742 6.371 1.00 0.00 H new ATOM 0 H2 THR A 1 -6.084 23.674 4.721 1.00 0.00 H new ATOM 0 H3 THR A 1 -7.312 23.830 5.884 1.00 0.00 H new ATOM 0 HA THR A 1 -5.717 21.537 6.430 1.00 0.00 H new ATOM 0 HB THR A 1 -8.211 20.620 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.674 22.342 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 1 -8.760 21.040 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 1 -7.072 20.506 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.436 22.226 8.309 1.00 0.00 H new ATOM 17 N ILE A 2 -5.266 21.664 3.687 1.00 0.00 N ATOM 18 CA ILE A 2 -5.051 21.106 2.323 1.00 0.00 C ATOM 19 C ILE A 2 -3.654 20.491 2.232 1.00 0.00 C ATOM 20 O ILE A 2 -3.320 19.835 1.266 1.00 0.00 O ATOM 21 CB ILE A 2 -5.206 22.228 1.291 1.00 0.00 C ATOM 22 CG1 ILE A 2 -5.338 21.627 -0.118 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.999 23.169 1.358 1.00 0.00 C ATOM 24 CD1 ILE A 2 -3.957 21.334 -0.720 1.00 0.00 C ATOM 0 H ILE A 2 -4.548 22.313 4.011 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.788 20.329 2.121 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.107 22.799 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.922 20.708 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.881 22.318 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.116 23.964 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.932 23.605 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.089 22.609 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.077 20.910 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.385 22.260 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.426 20.624 -0.085 1.00 0.00 H new ATOM 36 N ASP A 3 -2.840 20.669 3.237 1.00 0.00 N ATOM 37 CA ASP A 3 -1.477 20.067 3.203 1.00 0.00 C ATOM 38 C ASP A 3 -1.604 18.577 2.880 1.00 0.00 C ATOM 39 O ASP A 3 -0.671 17.940 2.433 1.00 0.00 O ATOM 40 CB ASP A 3 -0.809 20.240 4.569 1.00 0.00 C ATOM 41 CG ASP A 3 -0.088 21.589 4.616 1.00 0.00 C ATOM 42 OD1 ASP A 3 -0.573 22.517 3.990 1.00 0.00 O ATOM 43 OD2 ASP A 3 0.935 21.670 5.274 1.00 0.00 O ATOM 0 H ASP A 3 -3.059 21.204 4.078 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.871 20.560 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.556 20.187 5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.101 19.430 4.745 1.00 0.00 H new ATOM 48 N GLN A 4 -2.763 18.022 3.102 1.00 0.00 N ATOM 49 CA GLN A 4 -2.988 16.579 2.814 1.00 0.00 C ATOM 50 C GLN A 4 -2.313 16.185 1.489 1.00 0.00 C ATOM 51 O GLN A 4 -1.977 15.038 1.274 1.00 0.00 O ATOM 52 CB GLN A 4 -4.504 16.326 2.745 1.00 0.00 C ATOM 53 CG GLN A 4 -5.025 16.563 1.322 1.00 0.00 C ATOM 54 CD GLN A 4 -5.209 15.218 0.618 1.00 0.00 C ATOM 55 OE1 GLN A 4 -4.543 14.254 0.942 1.00 0.00 O ATOM 56 NE2 GLN A 4 -6.091 15.110 -0.337 1.00 0.00 N ATOM 0 H GLN A 4 -3.574 18.514 3.476 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.549 15.970 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.722 15.303 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.021 16.986 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -5.972 17.101 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.324 17.185 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.650 15.919 -0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.222 14.217 -0.812 1.00 0.00 H new ATOM 65 N TRP A 5 -2.129 17.124 0.597 1.00 0.00 N ATOM 66 CA TRP A 5 -1.491 16.819 -0.714 1.00 0.00 C ATOM 67 C TRP A 5 -0.361 15.798 -0.559 1.00 0.00 C ATOM 68 O TRP A 5 -0.465 14.679 -1.022 1.00 0.00 O ATOM 69 CB TRP A 5 -0.912 18.107 -1.287 1.00 0.00 C ATOM 70 CG TRP A 5 -0.884 18.008 -2.771 1.00 0.00 C ATOM 71 CD1 TRP A 5 -1.688 18.700 -3.602 1.00 0.00 C ATOM 72 CD2 TRP A 5 -0.034 17.178 -3.609 1.00 0.00 C ATOM 73 NE1 TRP A 5 -1.382 18.355 -4.907 1.00 0.00 N ATOM 74 CE2 TRP A 5 -0.367 17.417 -4.962 1.00 0.00 C ATOM 75 CE3 TRP A 5 0.986 16.249 -3.327 1.00 0.00 C ATOM 76 CZ2 TRP A 5 0.291 16.759 -6.004 1.00 0.00 C ATOM 77 CZ3 TRP A 5 1.650 15.586 -4.372 1.00 0.00 C ATOM 78 CH2 TRP A 5 1.302 15.840 -5.707 1.00 0.00 C ATOM 0 H TRP A 5 -2.398 18.100 0.725 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.247 16.399 -1.378 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.515 18.961 -0.978 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.094 18.271 -0.902 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.446 19.407 -3.300 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -1.847 18.744 -5.727 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.259 16.045 -2.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 0.021 16.959 -7.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.433 14.877 -4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 5 1.815 15.325 -6.506 1.00 0.00 H new ATOM 89 N LEU A 6 0.722 16.195 0.066 1.00 0.00 N ATOM 90 CA LEU A 6 1.899 15.285 0.250 1.00 0.00 C ATOM 91 C LEU A 6 1.458 13.820 0.281 1.00 0.00 C ATOM 92 O LEU A 6 2.070 12.967 -0.329 1.00 0.00 O ATOM 93 CB LEU A 6 2.599 15.636 1.562 1.00 0.00 C ATOM 94 CG LEU A 6 3.927 14.886 1.647 1.00 0.00 C ATOM 95 CD1 LEU A 6 4.854 15.362 0.528 1.00 0.00 C ATOM 96 CD2 LEU A 6 4.583 15.161 3.000 1.00 0.00 C ATOM 0 H LEU A 6 0.842 17.127 0.463 1.00 0.00 H new ATOM 0 HA LEU A 6 2.582 15.419 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.772 16.711 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.964 15.371 2.408 1.00 0.00 H new ATOM 0 HG LEU A 6 3.746 13.816 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.802 14.827 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.388 15.167 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.034 16.432 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.531 14.626 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.763 16.231 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.924 14.823 3.799 1.00 0.00 H new ATOM 108 N LEU A 7 0.403 13.523 0.981 1.00 0.00 N ATOM 109 CA LEU A 7 -0.075 12.115 1.043 1.00 0.00 C ATOM 110 C LEU A 7 0.832 11.313 1.974 1.00 0.00 C ATOM 111 O LEU A 7 1.501 11.861 2.828 1.00 0.00 O ATOM 112 CB LEU A 7 -0.042 11.502 -0.360 1.00 0.00 C ATOM 113 CG LEU A 7 -1.212 10.529 -0.518 1.00 0.00 C ATOM 114 CD1 LEU A 7 -2.253 11.129 -1.463 1.00 0.00 C ATOM 115 CD2 LEU A 7 -0.701 9.209 -1.101 1.00 0.00 C ATOM 0 H LEU A 7 -0.150 14.194 1.514 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.096 12.092 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.104 12.287 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.902 10.981 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.666 10.348 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.086 10.435 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.618 12.070 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.799 11.310 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.534 8.515 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.247 9.393 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.042 8.778 -0.430 1.00 0.00 H new ATOM 127 N LYS A 8 0.857 10.017 1.824 1.00 0.00 N ATOM 128 CA LYS A 8 1.717 9.179 2.706 1.00 0.00 C ATOM 129 C LYS A 8 1.056 9.042 4.081 1.00 0.00 C ATOM 130 O LYS A 8 1.547 8.348 4.947 1.00 0.00 O ATOM 131 CB LYS A 8 3.092 9.836 2.853 1.00 0.00 C ATOM 132 CG LYS A 8 3.543 10.380 1.496 1.00 0.00 C ATOM 133 CD LYS A 8 5.056 10.217 1.357 1.00 0.00 C ATOM 134 CE LYS A 8 5.764 11.272 2.208 1.00 0.00 C ATOM 135 NZ LYS A 8 6.633 10.598 3.214 1.00 0.00 N ATOM 0 H LYS A 8 0.318 9.502 1.128 1.00 0.00 H new ATOM 0 HA LYS A 8 1.838 8.189 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.045 10.644 3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.816 9.111 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.034 9.848 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.270 11.431 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.355 9.218 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.349 10.321 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.363 11.924 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.030 11.902 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.115 11.315 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.050 9.993 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.342 10.015 2.725 1.00 0.00 H new ATOM 149 N ASN A 9 -0.060 9.689 4.284 1.00 0.00 N ATOM 150 CA ASN A 9 -0.754 9.582 5.597 1.00 0.00 C ATOM 151 C ASN A 9 -1.407 8.204 5.694 1.00 0.00 C ATOM 152 O ASN A 9 -1.275 7.509 6.682 1.00 0.00 O ATOM 153 CB ASN A 9 -1.825 10.675 5.705 1.00 0.00 C ATOM 154 CG ASN A 9 -2.947 10.396 4.703 1.00 0.00 C ATOM 155 OD1 ASN A 9 -3.970 9.847 5.059 1.00 0.00 O ATOM 156 ND2 ASN A 9 -2.801 10.758 3.457 1.00 0.00 N ATOM 0 H ASN A 9 -0.520 10.286 3.597 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.038 9.710 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.227 10.705 6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.383 11.652 5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.546 10.580 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.942 11.219 3.157 1.00 0.00 H new ATOM 163 N ALA A 10 -2.098 7.796 4.665 1.00 0.00 N ATOM 164 CA ALA A 10 -2.747 6.457 4.682 1.00 0.00 C ATOM 165 C ALA A 10 -1.702 5.391 4.333 1.00 0.00 C ATOM 166 O ALA A 10 -1.975 4.206 4.356 1.00 0.00 O ATOM 167 CB ALA A 10 -3.873 6.426 3.649 1.00 0.00 C ATOM 0 H ALA A 10 -2.241 8.335 3.811 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.159 6.258 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.350 5.446 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.611 7.191 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.463 6.619 2.658 1.00 0.00 H new ATOM 173 N LYS A 11 -0.507 5.808 4.003 1.00 0.00 N ATOM 174 CA LYS A 11 0.562 4.836 3.641 1.00 0.00 C ATOM 175 C LYS A 11 0.670 3.746 4.711 1.00 0.00 C ATOM 176 O LYS A 11 0.237 2.628 4.516 1.00 0.00 O ATOM 177 CB LYS A 11 1.899 5.575 3.531 1.00 0.00 C ATOM 178 CG LYS A 11 2.606 5.165 2.238 1.00 0.00 C ATOM 179 CD LYS A 11 4.083 5.557 2.319 1.00 0.00 C ATOM 180 CE LYS A 11 4.947 4.398 1.818 1.00 0.00 C ATOM 181 NZ LYS A 11 5.638 3.759 2.974 1.00 0.00 N ATOM 0 H LYS A 11 -0.226 6.788 3.969 1.00 0.00 H new ATOM 0 HA LYS A 11 0.314 4.372 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.733 6.652 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.527 5.342 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.512 4.090 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.136 5.652 1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.267 6.448 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.349 5.805 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.328 3.666 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.680 4.761 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.226 2.971 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.241 4.461 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.930 3.399 3.646 1.00 0.00 H new ATOM 195 N GLU A 12 1.258 4.056 5.835 1.00 0.00 N ATOM 196 CA GLU A 12 1.409 3.031 6.908 1.00 0.00 C ATOM 197 C GLU A 12 0.082 2.829 7.642 1.00 0.00 C ATOM 198 O GLU A 12 -0.117 1.837 8.314 1.00 0.00 O ATOM 199 CB GLU A 12 2.473 3.492 7.905 1.00 0.00 C ATOM 200 CG GLU A 12 3.082 2.274 8.601 1.00 0.00 C ATOM 201 CD GLU A 12 4.320 2.704 9.389 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.934 3.684 9.002 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.631 2.047 10.369 1.00 0.00 O ATOM 0 H GLU A 12 1.641 4.975 6.057 1.00 0.00 H new ATOM 0 HA GLU A 12 1.710 2.087 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.250 4.056 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.030 4.162 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.351 1.821 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.351 1.517 7.864 1.00 0.00 H new ATOM 210 N ASP A 13 -0.828 3.756 7.529 1.00 0.00 N ATOM 211 CA ASP A 13 -2.132 3.597 8.234 1.00 0.00 C ATOM 212 C ASP A 13 -2.952 2.505 7.547 1.00 0.00 C ATOM 213 O ASP A 13 -3.880 1.962 8.114 1.00 0.00 O ATOM 214 CB ASP A 13 -2.902 4.917 8.199 1.00 0.00 C ATOM 215 CG ASP A 13 -3.097 5.433 9.625 1.00 0.00 C ATOM 216 OD1 ASP A 13 -2.139 5.938 10.188 1.00 0.00 O ATOM 217 OD2 ASP A 13 -4.200 5.315 10.131 1.00 0.00 O ATOM 0 H ASP A 13 -0.727 4.612 6.983 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.950 3.316 9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.357 5.652 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.869 4.773 7.718 1.00 0.00 H new ATOM 222 N ALA A 14 -2.610 2.175 6.336 1.00 0.00 N ATOM 223 CA ALA A 14 -3.360 1.113 5.613 1.00 0.00 C ATOM 224 C ALA A 14 -2.493 -0.141 5.549 1.00 0.00 C ATOM 225 O ALA A 14 -2.969 -1.247 5.688 1.00 0.00 O ATOM 226 CB ALA A 14 -3.667 1.583 4.196 1.00 0.00 C ATOM 0 H ALA A 14 -1.841 2.596 5.814 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.293 0.898 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.217 0.805 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.270 2.490 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.734 1.790 3.671 1.00 0.00 H new ATOM 232 N ILE A 15 -1.219 0.038 5.346 1.00 0.00 N ATOM 233 CA ILE A 15 -0.291 -1.124 5.277 1.00 0.00 C ATOM 234 C ILE A 15 -0.309 -1.862 6.611 1.00 0.00 C ATOM 235 O ILE A 15 -0.057 -3.047 6.689 1.00 0.00 O ATOM 236 CB ILE A 15 1.121 -0.601 5.033 1.00 0.00 C ATOM 237 CG1 ILE A 15 1.235 -0.068 3.608 1.00 0.00 C ATOM 238 CG2 ILE A 15 2.130 -1.728 5.244 1.00 0.00 C ATOM 239 CD1 ILE A 15 2.669 0.396 3.363 1.00 0.00 C ATOM 0 H ILE A 15 -0.776 0.949 5.224 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.597 -1.797 4.476 1.00 0.00 H new ATOM 0 HB ILE A 15 1.331 0.206 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.963 -0.845 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.541 0.759 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.138 -1.352 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.053 -2.098 6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.920 -2.540 4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.759 0.779 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.922 1.185 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.351 -0.444 3.496 1.00 0.00 H new ATOM 251 N ALA A 16 -0.583 -1.152 7.665 1.00 0.00 N ATOM 252 CA ALA A 16 -0.596 -1.784 9.020 1.00 0.00 C ATOM 253 C ALA A 16 -1.734 -2.808 9.137 1.00 0.00 C ATOM 254 O ALA A 16 -1.883 -3.463 10.150 1.00 0.00 O ATOM 255 CB ALA A 16 -0.785 -0.696 10.079 1.00 0.00 C ATOM 0 H ALA A 16 -0.800 -0.156 7.652 1.00 0.00 H new ATOM 0 HA ALA A 16 0.352 -2.301 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.795 -1.150 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.035 0.019 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.730 -0.180 9.906 1.00 0.00 H new ATOM 261 N GLU A 17 -2.544 -2.949 8.124 1.00 0.00 N ATOM 262 CA GLU A 17 -3.667 -3.925 8.203 1.00 0.00 C ATOM 263 C GLU A 17 -3.492 -5.012 7.133 1.00 0.00 C ATOM 264 O GLU A 17 -4.319 -5.890 6.990 1.00 0.00 O ATOM 265 CB GLU A 17 -4.983 -3.175 7.969 1.00 0.00 C ATOM 266 CG GLU A 17 -6.099 -4.167 7.636 1.00 0.00 C ATOM 267 CD GLU A 17 -7.453 -3.460 7.706 1.00 0.00 C ATOM 268 OE1 GLU A 17 -7.663 -2.717 8.650 1.00 0.00 O ATOM 269 OE2 GLU A 17 -8.258 -3.675 6.814 1.00 0.00 O ATOM 0 H GLU A 17 -2.477 -2.432 7.247 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.677 -4.399 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.248 -2.602 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.864 -2.461 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.945 -4.582 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.077 -5.002 8.336 1.00 0.00 H new ATOM 276 N LEU A 18 -2.430 -4.959 6.376 1.00 0.00 N ATOM 277 CA LEU A 18 -2.226 -5.989 5.315 1.00 0.00 C ATOM 278 C LEU A 18 -1.233 -7.055 5.786 1.00 0.00 C ATOM 279 O LEU A 18 -1.399 -8.229 5.519 1.00 0.00 O ATOM 280 CB LEU A 18 -1.689 -5.314 4.052 1.00 0.00 C ATOM 281 CG LEU A 18 -2.824 -4.572 3.347 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.005 -5.520 3.135 1.00 0.00 C ATOM 283 CD2 LEU A 18 -3.264 -3.393 4.213 1.00 0.00 C ATOM 0 H LEU A 18 -1.698 -4.252 6.445 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.181 -6.470 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.891 -4.618 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.258 -6.060 3.384 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.478 -4.209 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.813 -4.988 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.689 -6.364 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.356 -5.885 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.074 -2.859 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.611 -3.760 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.422 -2.717 4.363 1.00 0.00 H new ATOM 295 N LYS A 19 -0.196 -6.662 6.472 1.00 0.00 N ATOM 296 CA LYS A 19 0.805 -7.662 6.940 1.00 0.00 C ATOM 297 C LYS A 19 0.144 -8.650 7.907 1.00 0.00 C ATOM 298 O LYS A 19 0.643 -9.734 8.136 1.00 0.00 O ATOM 299 CB LYS A 19 1.952 -6.938 7.645 1.00 0.00 C ATOM 300 CG LYS A 19 2.901 -7.964 8.266 1.00 0.00 C ATOM 301 CD LYS A 19 2.758 -7.939 9.790 1.00 0.00 C ATOM 302 CE LYS A 19 4.029 -8.498 10.432 1.00 0.00 C ATOM 303 NZ LYS A 19 3.850 -9.952 10.706 1.00 0.00 N ATOM 0 H LYS A 19 0.002 -5.695 6.728 1.00 0.00 H new ATOM 0 HA LYS A 19 1.193 -8.212 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.492 -6.312 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.558 -6.277 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.675 -8.960 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.930 -7.741 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.583 -6.919 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.894 -8.530 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.881 -8.344 9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.245 -7.966 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.714 -10.332 11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.047 -10.087 11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.664 -10.453 9.814 1.00 0.00 H new ATOM 317 N LYS A 20 -0.973 -8.288 8.475 1.00 0.00 N ATOM 318 CA LYS A 20 -1.661 -9.211 9.423 1.00 0.00 C ATOM 319 C LYS A 20 -2.760 -9.976 8.680 1.00 0.00 C ATOM 320 O LYS A 20 -3.274 -10.968 9.159 1.00 0.00 O ATOM 321 CB LYS A 20 -2.278 -8.397 10.564 1.00 0.00 C ATOM 322 CG LYS A 20 -3.064 -9.319 11.499 1.00 0.00 C ATOM 323 CD LYS A 20 -2.094 -10.187 12.302 1.00 0.00 C ATOM 324 CE LYS A 20 -2.208 -11.639 11.837 1.00 0.00 C ATOM 325 NZ LYS A 20 -1.553 -12.535 12.832 1.00 0.00 N ATOM 0 H LYS A 20 -1.440 -7.394 8.324 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.942 -9.921 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.494 -7.883 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.937 -7.629 10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.682 -8.727 12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.739 -9.950 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.073 -9.830 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.320 -10.115 13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.257 -11.913 11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.737 -11.757 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.631 -13.522 12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.549 -12.279 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.021 -12.430 13.755 1.00 0.00 H new ATOM 339 N ALA A 21 -3.122 -9.526 7.508 1.00 0.00 N ATOM 340 CA ALA A 21 -4.185 -10.228 6.735 1.00 0.00 C ATOM 341 C ALA A 21 -3.589 -11.454 6.040 1.00 0.00 C ATOM 342 O ALA A 21 -4.202 -12.500 5.972 1.00 0.00 O ATOM 343 CB ALA A 21 -4.763 -9.279 5.683 1.00 0.00 C ATOM 0 H ALA A 21 -2.727 -8.703 7.054 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.976 -10.544 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.541 -9.793 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.190 -8.406 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.971 -8.962 5.005 1.00 0.00 H new ATOM 349 N GLY A 22 -2.395 -11.336 5.526 1.00 0.00 N ATOM 350 CA GLY A 22 -1.761 -12.498 4.839 1.00 0.00 C ATOM 351 C GLY A 22 -1.338 -12.100 3.421 1.00 0.00 C ATOM 352 O GLY A 22 -1.033 -12.940 2.598 1.00 0.00 O ATOM 0 H GLY A 22 -1.831 -10.486 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.893 -12.837 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.460 -13.333 4.798 1.00 0.00 H new ATOM 356 N ILE A 23 -1.313 -10.828 3.127 1.00 0.00 N ATOM 357 CA ILE A 23 -0.905 -10.388 1.762 1.00 0.00 C ATOM 358 C ILE A 23 0.510 -9.811 1.820 1.00 0.00 C ATOM 359 O ILE A 23 0.762 -8.831 2.491 1.00 0.00 O ATOM 360 CB ILE A 23 -1.873 -9.318 1.257 1.00 0.00 C ATOM 361 CG1 ILE A 23 -3.313 -9.800 1.449 1.00 0.00 C ATOM 362 CG2 ILE A 23 -1.618 -9.059 -0.228 1.00 0.00 C ATOM 363 CD1 ILE A 23 -4.278 -8.636 1.219 1.00 0.00 C ATOM 0 H ILE A 23 -1.557 -10.076 3.772 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.925 -11.240 1.083 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.720 -8.397 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.532 -10.610 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.442 -10.200 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.308 -8.296 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.593 -8.715 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.771 -9.981 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.303 -8.981 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.064 -7.840 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.155 -8.257 0.205 1.00 0.00 H new ATOM 375 N THR A 24 1.438 -10.413 1.125 1.00 0.00 N ATOM 376 CA THR A 24 2.835 -9.898 1.150 1.00 0.00 C ATOM 377 C THR A 24 3.217 -9.357 -0.231 1.00 0.00 C ATOM 378 O THR A 24 4.284 -8.808 -0.416 1.00 0.00 O ATOM 379 CB THR A 24 3.789 -11.031 1.536 1.00 0.00 C ATOM 380 OG1 THR A 24 3.381 -12.229 0.891 1.00 0.00 O ATOM 381 CG2 THR A 24 3.757 -11.228 3.052 1.00 0.00 C ATOM 0 H THR A 24 1.288 -11.237 0.543 1.00 0.00 H new ATOM 0 HA THR A 24 2.907 -9.093 1.882 1.00 0.00 H new ATOM 0 HB THR A 24 4.803 -10.778 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.991 -12.956 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.436 -12.035 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.068 -10.307 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.744 -11.483 3.364 1.00 0.00 H new ATOM 389 N SER A 25 2.357 -9.504 -1.202 1.00 0.00 N ATOM 390 CA SER A 25 2.684 -8.991 -2.564 1.00 0.00 C ATOM 391 C SER A 25 3.253 -7.575 -2.444 1.00 0.00 C ATOM 392 O SER A 25 2.720 -6.741 -1.741 1.00 0.00 O ATOM 393 CB SER A 25 1.417 -8.963 -3.417 1.00 0.00 C ATOM 394 OG SER A 25 1.405 -10.096 -4.276 1.00 0.00 O ATOM 0 H SER A 25 1.446 -9.955 -1.113 1.00 0.00 H new ATOM 0 HA SER A 25 3.420 -9.643 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.534 -8.967 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.381 -8.046 -4.005 1.00 0.00 H new ATOM 0 HG SER A 25 0.593 -10.083 -4.824 1.00 0.00 H new ATOM 400 N ASP A 26 4.333 -7.299 -3.123 1.00 0.00 N ATOM 401 CA ASP A 26 4.936 -5.937 -3.041 1.00 0.00 C ATOM 402 C ASP A 26 4.309 -5.030 -4.101 1.00 0.00 C ATOM 403 O ASP A 26 4.614 -3.858 -4.183 1.00 0.00 O ATOM 404 CB ASP A 26 6.443 -6.032 -3.283 1.00 0.00 C ATOM 405 CG ASP A 26 6.708 -6.349 -4.756 1.00 0.00 C ATOM 406 OD1 ASP A 26 6.279 -7.399 -5.202 1.00 0.00 O ATOM 407 OD2 ASP A 26 7.337 -5.534 -5.412 1.00 0.00 O ATOM 0 H ASP A 26 4.823 -7.956 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 26 4.749 -5.520 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.925 -5.093 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.875 -6.808 -2.650 1.00 0.00 H new ATOM 412 N PHE A 27 3.437 -5.558 -4.912 1.00 0.00 N ATOM 413 CA PHE A 27 2.798 -4.718 -5.962 1.00 0.00 C ATOM 414 C PHE A 27 1.731 -3.829 -5.317 1.00 0.00 C ATOM 415 O PHE A 27 1.255 -2.883 -5.912 1.00 0.00 O ATOM 416 CB PHE A 27 2.154 -5.631 -7.014 1.00 0.00 C ATOM 417 CG PHE A 27 1.162 -4.847 -7.840 1.00 0.00 C ATOM 418 CD1 PHE A 27 1.610 -3.842 -8.705 1.00 0.00 C ATOM 419 CD2 PHE A 27 -0.205 -5.128 -7.742 1.00 0.00 C ATOM 420 CE1 PHE A 27 0.689 -3.116 -9.470 1.00 0.00 C ATOM 421 CE2 PHE A 27 -1.126 -4.403 -8.506 1.00 0.00 C ATOM 422 CZ PHE A 27 -0.679 -3.397 -9.371 1.00 0.00 C ATOM 0 H PHE A 27 3.139 -6.533 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 27 3.547 -4.088 -6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.923 -6.055 -7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.653 -6.466 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.665 -3.627 -8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.550 -5.905 -7.076 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.034 -2.339 -10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.181 -4.619 -8.428 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.389 -2.838 -9.962 1.00 0.00 H new ATOM 432 N TYR A 28 1.361 -4.124 -4.104 1.00 0.00 N ATOM 433 CA TYR A 28 0.332 -3.295 -3.419 1.00 0.00 C ATOM 434 C TYR A 28 1.027 -2.334 -2.461 1.00 0.00 C ATOM 435 O TYR A 28 0.715 -1.162 -2.404 1.00 0.00 O ATOM 436 CB TYR A 28 -0.614 -4.205 -2.636 1.00 0.00 C ATOM 437 CG TYR A 28 -1.353 -5.096 -3.602 1.00 0.00 C ATOM 438 CD1 TYR A 28 -1.766 -4.590 -4.839 1.00 0.00 C ATOM 439 CD2 TYR A 28 -1.626 -6.426 -3.262 1.00 0.00 C ATOM 440 CE1 TYR A 28 -2.449 -5.412 -5.739 1.00 0.00 C ATOM 441 CE2 TYR A 28 -2.311 -7.253 -4.162 1.00 0.00 C ATOM 442 CZ TYR A 28 -2.723 -6.743 -5.402 1.00 0.00 C ATOM 443 OH TYR A 28 -3.397 -7.553 -6.294 1.00 0.00 O ATOM 0 H TYR A 28 1.726 -4.903 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.240 -2.730 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.052 -4.808 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.320 -3.607 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.557 -3.563 -5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.309 -6.815 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.766 -5.021 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.521 -8.280 -3.902 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.757 -8.133 -6.757 1.00 0.00 H new ATOM 453 N PHE A 29 1.969 -2.823 -1.710 1.00 0.00 N ATOM 454 CA PHE A 29 2.690 -1.943 -0.754 1.00 0.00 C ATOM 455 C PHE A 29 3.517 -0.915 -1.528 1.00 0.00 C ATOM 456 O PHE A 29 3.532 0.255 -1.203 1.00 0.00 O ATOM 457 CB PHE A 29 3.619 -2.794 0.115 1.00 0.00 C ATOM 458 CG PHE A 29 2.830 -3.469 1.220 1.00 0.00 C ATOM 459 CD1 PHE A 29 1.729 -2.824 1.802 1.00 0.00 C ATOM 460 CD2 PHE A 29 3.203 -4.745 1.664 1.00 0.00 C ATOM 461 CE1 PHE A 29 1.007 -3.454 2.820 1.00 0.00 C ATOM 462 CE2 PHE A 29 2.478 -5.373 2.685 1.00 0.00 C ATOM 463 CZ PHE A 29 1.379 -4.726 3.261 1.00 0.00 C ATOM 0 H PHE A 29 2.272 -3.797 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 29 1.969 -1.425 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.115 -3.546 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.400 -2.168 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.439 -1.840 1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.050 -5.245 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.159 -2.956 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.767 -6.356 3.027 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.818 -5.210 4.047 1.00 0.00 H new ATOM 473 N ASN A 30 4.207 -1.344 -2.547 1.00 0.00 N ATOM 474 CA ASN A 30 5.037 -0.394 -3.340 1.00 0.00 C ATOM 475 C ASN A 30 4.136 0.569 -4.115 1.00 0.00 C ATOM 476 O ASN A 30 4.541 1.655 -4.477 1.00 0.00 O ATOM 477 CB ASN A 30 5.890 -1.173 -4.339 1.00 0.00 C ATOM 478 CG ASN A 30 7.111 -1.758 -3.626 1.00 0.00 C ATOM 479 OD1 ASN A 30 7.199 -2.954 -3.426 1.00 0.00 O ATOM 480 ND2 ASN A 30 8.065 -0.960 -3.232 1.00 0.00 N ATOM 0 H ASN A 30 4.232 -2.313 -2.866 1.00 0.00 H new ATOM 0 HA ASN A 30 5.675 0.168 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.302 -1.973 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.209 -0.517 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.884 -1.340 -2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.992 0.044 -3.399 1.00 0.00 H new ATOM 487 N ALA A 31 2.925 0.174 -4.394 1.00 0.00 N ATOM 488 CA ALA A 31 2.023 1.066 -5.168 1.00 0.00 C ATOM 489 C ALA A 31 1.179 1.930 -4.223 1.00 0.00 C ATOM 490 O ALA A 31 0.613 2.927 -4.627 1.00 0.00 O ATOM 491 CB ALA A 31 1.100 0.217 -6.045 1.00 0.00 C ATOM 0 H ALA A 31 2.524 -0.723 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 31 2.629 1.722 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.437 0.869 -6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.699 -0.380 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.505 -0.444 -5.414 1.00 0.00 H new ATOM 497 N ILE A 32 1.084 1.563 -2.974 1.00 0.00 N ATOM 498 CA ILE A 32 0.269 2.376 -2.024 1.00 0.00 C ATOM 499 C ILE A 32 0.739 3.837 -2.076 1.00 0.00 C ATOM 500 O ILE A 32 -0.054 4.755 -2.020 1.00 0.00 O ATOM 501 CB ILE A 32 0.402 1.785 -0.601 1.00 0.00 C ATOM 502 CG1 ILE A 32 -0.985 1.374 -0.103 1.00 0.00 C ATOM 503 CG2 ILE A 32 1.003 2.803 0.380 1.00 0.00 C ATOM 504 CD1 ILE A 32 -1.674 0.515 -1.164 1.00 0.00 C ATOM 0 H ILE A 32 1.532 0.740 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.784 2.348 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 32 1.069 0.924 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.898 0.818 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.584 2.260 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.081 2.352 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.994 3.098 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.360 3.682 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.662 0.222 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.774 1.087 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.077 -0.377 -1.354 1.00 0.00 H new ATOM 516 N ASN A 33 2.021 4.057 -2.183 1.00 0.00 N ATOM 517 CA ASN A 33 2.536 5.455 -2.238 1.00 0.00 C ATOM 518 C ASN A 33 2.165 6.082 -3.584 1.00 0.00 C ATOM 519 O ASN A 33 1.818 7.245 -3.662 1.00 0.00 O ATOM 520 CB ASN A 33 4.060 5.447 -2.086 1.00 0.00 C ATOM 521 CG ASN A 33 4.594 6.870 -2.256 1.00 0.00 C ATOM 522 OD1 ASN A 33 5.552 7.091 -2.971 1.00 0.00 O ATOM 523 ND2 ASN A 33 4.012 7.854 -1.624 1.00 0.00 N ATOM 0 H ASN A 33 2.734 3.329 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 33 2.093 6.035 -1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.337 5.057 -1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.507 4.787 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.361 8.806 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.208 7.670 -1.024 1.00 0.00 H new ATOM 530 N LYS A 34 2.234 5.323 -4.643 1.00 0.00 N ATOM 531 CA LYS A 34 1.887 5.877 -5.985 1.00 0.00 C ATOM 532 C LYS A 34 0.505 6.528 -5.924 1.00 0.00 C ATOM 533 O LYS A 34 0.192 7.417 -6.693 1.00 0.00 O ATOM 534 CB LYS A 34 1.874 4.745 -7.014 1.00 0.00 C ATOM 535 CG LYS A 34 3.280 4.562 -7.589 1.00 0.00 C ATOM 536 CD LYS A 34 3.353 5.218 -8.970 1.00 0.00 C ATOM 537 CE LYS A 34 4.797 5.189 -9.473 1.00 0.00 C ATOM 538 NZ LYS A 34 4.881 5.892 -10.785 1.00 0.00 N ATOM 0 H LYS A 34 2.516 4.343 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 34 2.627 6.623 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.537 3.819 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.170 4.974 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.018 5.008 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.519 3.501 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.703 4.692 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.996 6.247 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.455 5.669 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.136 4.158 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.863 5.872 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.265 5.416 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.574 6.879 -10.670 1.00 0.00 H new ATOM 552 N ALA A 35 -0.323 6.091 -5.015 1.00 0.00 N ATOM 553 CA ALA A 35 -1.690 6.678 -4.894 1.00 0.00 C ATOM 554 C ALA A 35 -1.616 8.201 -5.052 1.00 0.00 C ATOM 555 O ALA A 35 -0.741 8.848 -4.511 1.00 0.00 O ATOM 556 CB ALA A 35 -2.262 6.338 -3.516 1.00 0.00 C ATOM 0 H ALA A 35 -0.112 5.349 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.332 6.267 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.261 6.764 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.317 5.255 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.616 6.752 -2.742 1.00 0.00 H new ATOM 562 N LYS A 36 -2.528 8.778 -5.787 1.00 0.00 N ATOM 563 CA LYS A 36 -2.508 10.258 -5.972 1.00 0.00 C ATOM 564 C LYS A 36 -3.028 10.933 -4.701 1.00 0.00 C ATOM 565 O LYS A 36 -2.306 11.634 -4.019 1.00 0.00 O ATOM 566 CB LYS A 36 -3.398 10.641 -7.157 1.00 0.00 C ATOM 567 CG LYS A 36 -2.522 10.908 -8.384 1.00 0.00 C ATOM 568 CD LYS A 36 -3.264 11.826 -9.358 1.00 0.00 C ATOM 569 CE LYS A 36 -2.851 13.277 -9.106 1.00 0.00 C ATOM 570 NZ LYS A 36 -3.325 14.131 -10.231 1.00 0.00 N ATOM 0 H LYS A 36 -3.285 8.290 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.488 10.586 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.106 9.839 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.984 11.528 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.583 11.369 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.271 9.968 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.035 11.545 -10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.341 11.716 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.274 13.629 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.767 13.347 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.044 15.118 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.901 13.800 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.361 14.073 -10.299 1.00 0.00 H new ATOM 584 N THR A 37 -4.273 10.724 -4.373 1.00 0.00 N ATOM 585 CA THR A 37 -4.835 11.346 -3.140 1.00 0.00 C ATOM 586 C THR A 37 -5.080 10.251 -2.100 1.00 0.00 C ATOM 587 O THR A 37 -4.795 9.094 -2.333 1.00 0.00 O ATOM 588 CB THR A 37 -6.155 12.044 -3.481 1.00 0.00 C ATOM 589 OG1 THR A 37 -6.667 12.684 -2.321 1.00 0.00 O ATOM 590 CG2 THR A 37 -7.164 11.014 -3.986 1.00 0.00 C ATOM 0 H THR A 37 -4.926 10.149 -4.905 1.00 0.00 H new ATOM 0 HA THR A 37 -4.136 12.080 -2.739 1.00 0.00 H new ATOM 0 HB THR A 37 -5.981 12.788 -4.258 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.511 13.132 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.103 11.513 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.771 10.527 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.339 10.267 -3.212 1.00 0.00 H new ATOM 598 N VAL A 38 -5.604 10.595 -0.954 1.00 0.00 N ATOM 599 CA VAL A 38 -5.858 9.555 0.079 1.00 0.00 C ATOM 600 C VAL A 38 -6.846 8.538 -0.476 1.00 0.00 C ATOM 601 O VAL A 38 -6.647 7.345 -0.377 1.00 0.00 O ATOM 602 CB VAL A 38 -6.434 10.208 1.334 1.00 0.00 C ATOM 603 CG1 VAL A 38 -6.425 9.201 2.486 1.00 0.00 C ATOM 604 CG2 VAL A 38 -5.581 11.421 1.712 1.00 0.00 C ATOM 0 H VAL A 38 -5.865 11.545 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.925 9.055 0.338 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.458 10.527 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.836 9.668 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.031 8.336 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.402 8.881 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.990 11.889 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.558 11.100 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.587 12.140 0.892 1.00 0.00 H new ATOM 614 N GLU A 39 -7.900 8.998 -1.078 1.00 0.00 N ATOM 615 CA GLU A 39 -8.887 8.049 -1.657 1.00 0.00 C ATOM 616 C GLU A 39 -8.139 7.089 -2.581 1.00 0.00 C ATOM 617 O GLU A 39 -8.557 5.970 -2.799 1.00 0.00 O ATOM 618 CB GLU A 39 -9.943 8.818 -2.454 1.00 0.00 C ATOM 619 CG GLU A 39 -10.968 9.426 -1.493 1.00 0.00 C ATOM 620 CD GLU A 39 -12.360 9.371 -2.125 1.00 0.00 C ATOM 621 OE1 GLU A 39 -12.925 8.291 -2.172 1.00 0.00 O ATOM 622 OE2 GLU A 39 -12.838 10.410 -2.551 1.00 0.00 O ATOM 0 H GLU A 39 -8.123 9.986 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.387 7.496 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.469 9.604 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.440 8.150 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.964 8.881 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.701 10.458 -1.266 1.00 0.00 H new ATOM 629 N GLU A 40 -7.021 7.515 -3.109 1.00 0.00 N ATOM 630 CA GLU A 40 -6.227 6.625 -4.004 1.00 0.00 C ATOM 631 C GLU A 40 -5.428 5.659 -3.136 1.00 0.00 C ATOM 632 O GLU A 40 -5.260 4.504 -3.467 1.00 0.00 O ATOM 633 CB GLU A 40 -5.260 7.458 -4.846 1.00 0.00 C ATOM 634 CG GLU A 40 -5.787 7.566 -6.277 1.00 0.00 C ATOM 635 CD GLU A 40 -7.168 8.223 -6.270 1.00 0.00 C ATOM 636 OE1 GLU A 40 -7.593 8.654 -5.210 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.778 8.286 -7.325 1.00 0.00 O ATOM 0 H GLU A 40 -6.624 8.442 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.897 6.079 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.149 8.452 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.272 6.997 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.098 8.152 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.847 6.576 -6.728 1.00 0.00 H new ATOM 644 N VAL A 41 -4.943 6.125 -2.020 1.00 0.00 N ATOM 645 CA VAL A 41 -4.167 5.233 -1.118 1.00 0.00 C ATOM 646 C VAL A 41 -5.104 4.152 -0.585 1.00 0.00 C ATOM 647 O VAL A 41 -4.963 2.984 -0.886 1.00 0.00 O ATOM 648 CB VAL A 41 -3.615 6.050 0.051 1.00 0.00 C ATOM 649 CG1 VAL A 41 -2.705 5.168 0.909 1.00 0.00 C ATOM 650 CG2 VAL A 41 -2.813 7.234 -0.488 1.00 0.00 C ATOM 0 H VAL A 41 -5.051 7.085 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.338 4.777 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.443 6.416 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.312 5.752 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.276 4.323 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.878 4.800 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.420 7.816 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.986 6.867 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.460 7.864 -1.098 1.00 0.00 H new ATOM 660 N ASN A 42 -6.069 4.541 0.202 1.00 0.00 N ATOM 661 CA ASN A 42 -7.031 3.549 0.755 1.00 0.00 C ATOM 662 C ASN A 42 -7.680 2.769 -0.392 1.00 0.00 C ATOM 663 O ASN A 42 -8.063 1.625 -0.238 1.00 0.00 O ATOM 664 CB ASN A 42 -8.116 4.291 1.541 1.00 0.00 C ATOM 665 CG ASN A 42 -7.490 4.975 2.759 1.00 0.00 C ATOM 666 OD1 ASN A 42 -7.477 4.423 3.842 1.00 0.00 O ATOM 667 ND2 ASN A 42 -6.967 6.165 2.628 1.00 0.00 N ATOM 0 H ASN A 42 -6.232 5.507 0.486 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.506 2.855 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.599 5.032 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.889 3.593 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.548 6.630 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.977 6.629 1.720 1.00 0.00 H new ATOM 674 N ALA A 43 -7.812 3.378 -1.539 1.00 0.00 N ATOM 675 CA ALA A 43 -8.441 2.668 -2.691 1.00 0.00 C ATOM 676 C ALA A 43 -7.533 1.529 -3.149 1.00 0.00 C ATOM 677 O ALA A 43 -7.992 0.455 -3.488 1.00 0.00 O ATOM 678 CB ALA A 43 -8.647 3.647 -3.848 1.00 0.00 C ATOM 0 H ALA A 43 -7.512 4.334 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.404 2.264 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.106 3.126 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.298 4.460 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.684 4.054 -4.156 1.00 0.00 H new ATOM 684 N LEU A 44 -6.248 1.751 -3.168 1.00 0.00 N ATOM 685 CA LEU A 44 -5.318 0.677 -3.610 1.00 0.00 C ATOM 686 C LEU A 44 -5.441 -0.530 -2.679 1.00 0.00 C ATOM 687 O LEU A 44 -5.517 -1.659 -3.122 1.00 0.00 O ATOM 688 CB LEU A 44 -3.882 1.199 -3.580 1.00 0.00 C ATOM 689 CG LEU A 44 -3.517 1.744 -4.960 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.420 2.800 -4.821 1.00 0.00 C ATOM 691 CD2 LEU A 44 -3.013 0.599 -5.841 1.00 0.00 C ATOM 0 H LEU A 44 -5.803 2.628 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.575 0.376 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.783 1.982 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.197 0.399 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.398 2.196 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.161 3.187 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.778 3.616 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.538 2.351 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.752 0.986 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.133 0.148 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.795 -0.154 -5.942 1.00 0.00 H new ATOM 703 N LYS A 45 -5.461 -0.307 -1.393 1.00 0.00 N ATOM 704 CA LYS A 45 -5.577 -1.451 -0.449 1.00 0.00 C ATOM 705 C LYS A 45 -6.918 -2.155 -0.669 1.00 0.00 C ATOM 706 O LYS A 45 -7.067 -3.328 -0.393 1.00 0.00 O ATOM 707 CB LYS A 45 -5.492 -0.942 0.992 1.00 0.00 C ATOM 708 CG LYS A 45 -4.028 -0.687 1.368 1.00 0.00 C ATOM 709 CD LYS A 45 -3.219 -1.981 1.217 1.00 0.00 C ATOM 710 CE LYS A 45 -1.819 -1.785 1.810 1.00 0.00 C ATOM 711 NZ LYS A 45 -0.816 -1.751 0.709 1.00 0.00 N ATOM 0 H LYS A 45 -5.402 0.614 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.763 -2.154 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.069 -0.023 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.929 -1.673 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.609 0.091 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.964 -0.325 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.728 -2.801 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.144 -2.254 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.780 -0.857 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.588 -2.595 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.131 -2.522 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.299 -1.868 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.317 -0.839 0.722 1.00 0.00 H new ATOM 725 N ASN A 46 -7.894 -1.447 -1.167 1.00 0.00 N ATOM 726 CA ASN A 46 -9.225 -2.074 -1.406 1.00 0.00 C ATOM 727 C ASN A 46 -9.197 -2.863 -2.718 1.00 0.00 C ATOM 728 O ASN A 46 -10.019 -3.727 -2.949 1.00 0.00 O ATOM 729 CB ASN A 46 -10.295 -0.984 -1.488 1.00 0.00 C ATOM 730 CG ASN A 46 -10.215 -0.095 -0.247 1.00 0.00 C ATOM 731 OD1 ASN A 46 -9.382 -0.305 0.613 1.00 0.00 O ATOM 732 ND2 ASN A 46 -11.051 0.898 -0.116 1.00 0.00 N ATOM 0 H ASN A 46 -7.828 -0.461 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.457 -2.751 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.151 -0.385 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.284 -1.436 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.005 1.498 0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.750 1.075 -0.837 1.00 0.00 H new ATOM 739 N GLU A 47 -8.263 -2.571 -3.582 1.00 0.00 N ATOM 740 CA GLU A 47 -8.194 -3.305 -4.879 1.00 0.00 C ATOM 741 C GLU A 47 -7.532 -4.663 -4.668 1.00 0.00 C ATOM 742 O GLU A 47 -7.637 -5.545 -5.492 1.00 0.00 O ATOM 743 CB GLU A 47 -7.383 -2.492 -5.890 1.00 0.00 C ATOM 744 CG GLU A 47 -7.878 -2.801 -7.304 1.00 0.00 C ATOM 745 CD GLU A 47 -7.623 -1.597 -8.212 1.00 0.00 C ATOM 746 OE1 GLU A 47 -6.993 -0.657 -7.754 1.00 0.00 O ATOM 747 OE2 GLU A 47 -8.063 -1.633 -9.350 1.00 0.00 O ATOM 0 H GLU A 47 -7.546 -1.858 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.204 -3.452 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.484 -1.427 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.324 -2.734 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.365 -3.680 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.942 -3.035 -7.284 1.00 0.00 H new ATOM 754 N ILE A 48 -6.857 -4.850 -3.573 1.00 0.00 N ATOM 755 CA ILE A 48 -6.209 -6.166 -3.333 1.00 0.00 C ATOM 756 C ILE A 48 -7.295 -7.194 -3.033 1.00 0.00 C ATOM 757 O ILE A 48 -7.260 -8.309 -3.511 1.00 0.00 O ATOM 758 CB ILE A 48 -5.255 -6.059 -2.145 1.00 0.00 C ATOM 759 CG1 ILE A 48 -4.242 -4.946 -2.411 1.00 0.00 C ATOM 760 CG2 ILE A 48 -4.522 -7.386 -1.954 1.00 0.00 C ATOM 761 CD1 ILE A 48 -3.340 -4.780 -1.189 1.00 0.00 C ATOM 0 H ILE A 48 -6.726 -4.155 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.642 -6.471 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.821 -5.829 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.643 -5.186 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.760 -4.011 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.842 -7.307 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.247 -8.178 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.954 -7.621 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.616 -3.987 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.947 -4.521 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.812 -5.714 -0.997 1.00 0.00 H new ATOM 773 N LEU A 49 -8.265 -6.822 -2.250 1.00 0.00 N ATOM 774 CA LEU A 49 -9.363 -7.770 -1.926 1.00 0.00 C ATOM 775 C LEU A 49 -9.935 -8.345 -3.223 1.00 0.00 C ATOM 776 O LEU A 49 -10.475 -9.434 -3.242 1.00 0.00 O ATOM 777 CB LEU A 49 -10.465 -7.029 -1.164 1.00 0.00 C ATOM 778 CG LEU A 49 -9.929 -6.576 0.193 1.00 0.00 C ATOM 779 CD1 LEU A 49 -11.021 -5.811 0.945 1.00 0.00 C ATOM 780 CD2 LEU A 49 -9.512 -7.801 1.011 1.00 0.00 C ATOM 0 H LEU A 49 -8.345 -5.901 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.977 -8.581 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.804 -6.167 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.328 -7.680 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.067 -5.926 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.638 -5.488 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.320 -4.939 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.883 -6.461 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.129 -7.479 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.375 -8.450 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.734 -8.347 0.477 1.00 0.00 H new ATOM 792 N LYS A 50 -9.827 -7.624 -4.308 1.00 0.00 N ATOM 793 CA LYS A 50 -10.372 -8.142 -5.596 1.00 0.00 C ATOM 794 C LYS A 50 -9.225 -8.443 -6.566 1.00 0.00 C ATOM 795 O LYS A 50 -8.925 -9.585 -6.852 1.00 0.00 O ATOM 796 CB LYS A 50 -11.298 -7.091 -6.212 1.00 0.00 C ATOM 797 CG LYS A 50 -12.435 -6.777 -5.238 1.00 0.00 C ATOM 798 CD LYS A 50 -12.066 -5.553 -4.398 1.00 0.00 C ATOM 799 CE LYS A 50 -13.337 -4.932 -3.815 1.00 0.00 C ATOM 800 NZ LYS A 50 -14.162 -5.998 -3.180 1.00 0.00 N ATOM 0 H LYS A 50 -9.388 -6.705 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.929 -9.060 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.737 -6.184 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.704 -7.457 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.357 -6.589 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.619 -7.634 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.388 -5.841 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.540 -4.822 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.078 -4.170 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.906 -4.436 -4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.828 -5.567 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.693 -6.509 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.542 -6.663 -2.676 1.00 0.00 H new ATOM 814 N ALA A 51 -8.586 -7.426 -7.076 1.00 0.00 N ATOM 815 CA ALA A 51 -7.461 -7.648 -8.032 1.00 0.00 C ATOM 816 C ALA A 51 -6.563 -8.778 -7.524 1.00 0.00 C ATOM 817 O ALA A 51 -5.885 -9.434 -8.288 1.00 0.00 O ATOM 818 CB ALA A 51 -6.638 -6.362 -8.154 1.00 0.00 C ATOM 0 H ALA A 51 -8.794 -6.448 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.866 -7.921 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.816 -6.521 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.274 -5.556 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.238 -6.092 -7.177 1.00 0.00 H new ATOM 824 N HIS A 52 -6.548 -9.007 -6.239 1.00 0.00 N ATOM 825 CA HIS A 52 -5.692 -10.084 -5.681 1.00 0.00 C ATOM 826 C HIS A 52 -6.544 -10.957 -4.749 1.00 0.00 C ATOM 827 O HIS A 52 -7.519 -10.511 -4.181 1.00 0.00 O ATOM 828 CB HIS A 52 -4.507 -9.424 -4.942 1.00 0.00 C ATOM 829 CG HIS A 52 -4.241 -10.070 -3.610 1.00 0.00 C ATOM 830 ND1 HIS A 52 -3.036 -10.688 -3.321 1.00 0.00 N ATOM 831 CD2 HIS A 52 -4.998 -10.171 -2.471 1.00 0.00 C ATOM 832 CE1 HIS A 52 -3.101 -11.127 -2.052 1.00 0.00 C ATOM 833 NE2 HIS A 52 -4.277 -10.840 -1.488 1.00 0.00 N ATOM 0 H HIS A 52 -7.096 -8.490 -5.551 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.290 -10.728 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.612 -9.489 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.717 -8.364 -4.795 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.244 -10.791 -3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.002 -9.789 -2.355 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.300 -11.648 -1.550 1.00 0.00 H new ATOM 841 N ALA A 53 -6.190 -12.203 -4.610 1.00 0.00 N ATOM 842 CA ALA A 53 -6.980 -13.120 -3.735 1.00 0.00 C ATOM 843 C ALA A 53 -8.275 -13.509 -4.451 1.00 0.00 C ATOM 844 O ALA A 53 -8.563 -12.915 -5.478 1.00 0.00 O ATOM 845 CB ALA A 53 -7.320 -12.427 -2.413 1.00 0.00 C ATOM 846 OXT ALA A 53 -8.959 -14.391 -3.958 1.00 0.00 O ATOM 0 H ALA A 53 -5.384 -12.630 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.388 -14.011 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.896 -13.106 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.399 -12.150 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.907 -11.531 -2.613 1.00 0.00 H new TER 852 ALA A 53