USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 731 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 7 SER OG : rot 180:sc= -0.01 USER MOD Set 1.2: A 99 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Set 2.1: A 92 ASN : amide:sc= -5.48! C(o=-6.5!,f=-19!) USER MOD Set 2.2: A 94 SER OG : rot 140:sc= -0.985 USER MOD Set 3.1: A 58 SER OG : rot 170:sc= -1.26! USER MOD Set 3.2: A 80 ASN : amide:sc= 0.228 K(o=-1,f=-1.6) USER MOD Set 4.1: A 39 TYR OH : rot 78:sc= 1.11 USER MOD Set 4.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 8 SER OG : rot 123:sc= -3.18! USER MOD Set 5.2: A 23 CYS SG : rot 56:sc= -1.38 USER MOD Set 6.1: A 9 ASN :FLIP amide:sc= -2.07 F(o=-4.2!,f=-2.8) USER MOD Set 6.2: A 10 ASN : amide:sc= -0.694 K(o=-2.8,f=-4.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -1.87 (180deg=-2.95!) USER MOD Single : A 3 ASN : amide:sc= -0.608 K(o=-0.61,f=-5.8!) USER MOD Single : A 5 HIS : no HE2:sc= -5.25! C(o=-5.3!,f=-5.9!) USER MOD Single : A 17 HIS : no HE2:sc= -6.96! C(o=-7!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -4.68 K(o=-4.7,f=-7.4!) USER MOD Single : A 25 ASN : amide:sc= -1.35 K(o=-1.3,f=-2) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -92:sc= -1.35 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.45! C(o=-3.4!,f=-6.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -170:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.275 F(o=-1.6,f=-0.27) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.99! C(o=-2!,f=-1.9!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.485 X(o=-0.48,f=0) USER MOD Single : A 82 MET CE :methyl -118:sc= 0 (180deg=-0.164) USER MOD Single : A 90 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.46) USER MOD Single : A 101 CYS SG : rot 180:sc= -0.0656 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.762 -11.881 -3.457 1.00 0.00 N ATOM 2 CA MET A 1 -4.828 -11.037 -4.679 1.00 0.00 C ATOM 3 C MET A 1 -5.505 -9.701 -4.392 1.00 0.00 C ATOM 4 O MET A 1 -6.728 -9.627 -4.279 1.00 0.00 O ATOM 5 CB MET A 1 -5.604 -11.794 -5.759 1.00 0.00 C ATOM 6 CG MET A 1 -6.911 -12.392 -5.265 1.00 0.00 C ATOM 7 SD MET A 1 -7.453 -13.794 -6.262 1.00 0.00 S ATOM 8 CE MET A 1 -7.509 -15.087 -5.024 1.00 0.00 C ATOM 0 H1 MET A 1 -4.706 -12.883 -3.730 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.919 -11.625 -2.904 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.614 -11.726 -2.881 1.00 0.00 H new ATOM 0 HA MET A 1 -3.814 -10.829 -5.020 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.814 -11.116 -6.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.975 -12.592 -6.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.792 -12.712 -4.230 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.684 -11.624 -5.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.829 -16.021 -5.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.518 -15.218 -4.590 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.215 -14.810 -4.241 1.00 0.00 H new ATOM 20 N GLY A 2 -4.704 -8.646 -4.280 1.00 0.00 N ATOM 21 CA GLY A 2 -5.252 -7.329 -4.015 1.00 0.00 C ATOM 22 C GLY A 2 -5.827 -6.690 -5.255 1.00 0.00 C ATOM 23 O GLY A 2 -5.374 -5.634 -5.698 1.00 0.00 O ATOM 0 H GLY A 2 -3.688 -8.679 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.029 -7.407 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.471 -6.688 -3.607 1.00 0.00 H new ATOM 27 N ASN A 3 -6.843 -7.336 -5.798 1.00 0.00 N ATOM 28 CA ASN A 3 -7.531 -6.854 -6.985 1.00 0.00 C ATOM 29 C ASN A 3 -8.158 -5.487 -6.736 1.00 0.00 C ATOM 30 O ASN A 3 -8.568 -4.807 -7.675 1.00 0.00 O ATOM 31 CB ASN A 3 -8.599 -7.852 -7.428 1.00 0.00 C ATOM 32 CG ASN A 3 -9.551 -8.219 -6.309 1.00 0.00 C ATOM 33 OD1 ASN A 3 -9.462 -7.690 -5.201 1.00 0.00 O ATOM 34 ND2 ASN A 3 -10.471 -9.130 -6.597 1.00 0.00 N ATOM 0 H ASN A 3 -7.216 -8.211 -5.429 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.794 -6.752 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.165 -7.429 -8.258 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.115 -8.755 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.143 -9.419 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.507 -9.542 -7.530 1.00 0.00 H new ATOM 41 N PHE A 4 -8.263 -5.099 -5.464 1.00 0.00 N ATOM 42 CA PHE A 4 -8.878 -3.827 -5.103 1.00 0.00 C ATOM 43 C PHE A 4 -8.374 -2.694 -5.995 1.00 0.00 C ATOM 44 O PHE A 4 -9.114 -1.764 -6.309 1.00 0.00 O ATOM 45 CB PHE A 4 -8.592 -3.498 -3.631 1.00 0.00 C ATOM 46 CG PHE A 4 -7.360 -2.658 -3.420 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.101 -3.172 -3.686 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.464 -1.353 -2.963 1.00 0.00 C ATOM 49 CE1 PHE A 4 -4.969 -2.402 -3.500 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.334 -0.578 -2.775 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.086 -1.103 -3.044 1.00 0.00 C ATOM 0 H PHE A 4 -7.930 -5.647 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.954 -3.923 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.452 -2.975 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.484 -4.430 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.003 -4.187 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.438 -0.937 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.994 -2.815 -3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.428 0.437 -2.418 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.202 -0.499 -2.898 1.00 0.00 H new ATOM 61 N HIS A 5 -7.116 -2.784 -6.405 1.00 0.00 N ATOM 62 CA HIS A 5 -6.523 -1.770 -7.264 1.00 0.00 C ATOM 63 C HIS A 5 -7.224 -1.730 -8.621 1.00 0.00 C ATOM 64 O HIS A 5 -7.411 -0.662 -9.205 1.00 0.00 O ATOM 65 CB HIS A 5 -5.025 -2.043 -7.442 1.00 0.00 C ATOM 66 CG HIS A 5 -4.698 -2.959 -8.583 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.427 -2.505 -9.857 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.599 -4.309 -8.638 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.177 -3.535 -10.645 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.274 -4.640 -9.930 1.00 0.00 N ATOM 0 H HIS A 5 -6.488 -3.548 -6.157 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.650 -0.797 -6.789 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.510 -1.094 -7.593 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.634 -2.475 -6.521 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.421 -1.527 -10.145 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.748 -4.996 -7.818 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.934 -3.482 -11.696 1.00 0.00 H new ATOM 79 N GLU A 6 -7.603 -2.904 -9.116 1.00 0.00 N ATOM 80 CA GLU A 6 -8.277 -3.012 -10.404 1.00 0.00 C ATOM 81 C GLU A 6 -9.747 -2.613 -10.296 1.00 0.00 C ATOM 82 O GLU A 6 -10.362 -2.207 -11.281 1.00 0.00 O ATOM 83 CB GLU A 6 -8.149 -4.441 -10.947 1.00 0.00 C ATOM 84 CG GLU A 6 -9.068 -5.454 -10.272 1.00 0.00 C ATOM 85 CD GLU A 6 -9.941 -6.200 -11.262 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.415 -6.631 -12.310 1.00 0.00 O ATOM 87 OE2 GLU A 6 -11.150 -6.353 -10.990 1.00 0.00 O ATOM 0 H GLU A 6 -7.454 -3.795 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.795 -2.323 -11.098 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.361 -4.431 -12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.117 -4.770 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.465 -6.170 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.702 -4.939 -9.550 1.00 0.00 H new ATOM 94 N SER A 7 -10.306 -2.735 -9.095 1.00 0.00 N ATOM 95 CA SER A 7 -11.705 -2.390 -8.868 1.00 0.00 C ATOM 96 C SER A 7 -11.839 -1.121 -8.029 1.00 0.00 C ATOM 97 O SER A 7 -12.899 -0.854 -7.463 1.00 0.00 O ATOM 98 CB SER A 7 -12.429 -3.548 -8.178 1.00 0.00 C ATOM 99 OG SER A 7 -11.883 -3.798 -6.894 1.00 0.00 O ATOM 0 H SER A 7 -9.813 -3.069 -8.267 1.00 0.00 H new ATOM 0 HA SER A 7 -12.163 -2.203 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.490 -3.315 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.352 -4.446 -8.791 1.00 0.00 H new ATOM 0 HG SER A 7 -12.364 -4.541 -6.473 1.00 0.00 H new ATOM 105 N SER A 8 -10.765 -0.338 -7.953 1.00 0.00 N ATOM 106 CA SER A 8 -10.784 0.900 -7.182 1.00 0.00 C ATOM 107 C SER A 8 -10.258 2.066 -8.011 1.00 0.00 C ATOM 108 O SER A 8 -9.506 1.873 -8.966 1.00 0.00 O ATOM 109 CB SER A 8 -9.952 0.753 -5.908 1.00 0.00 C ATOM 110 OG SER A 8 -10.053 1.910 -5.096 1.00 0.00 O ATOM 0 H SER A 8 -9.877 -0.538 -8.413 1.00 0.00 H new ATOM 0 HA SER A 8 -11.819 1.106 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.290 -0.119 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.908 0.579 -6.170 1.00 0.00 H new ATOM 0 HG SER A 8 -10.376 1.658 -4.206 1.00 0.00 H new ATOM 116 N ASN A 9 -10.658 3.277 -7.637 1.00 0.00 N ATOM 117 CA ASN A 9 -10.227 4.477 -8.341 1.00 0.00 C ATOM 118 C ASN A 9 -9.488 5.419 -7.397 1.00 0.00 C ATOM 119 O ASN A 9 -9.630 5.332 -6.177 1.00 0.00 O ATOM 120 CB ASN A 9 -11.432 5.188 -8.963 1.00 0.00 C ATOM 121 CG ASN A 9 -11.078 6.548 -9.535 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.994 7.548 -8.667 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.884 6.696 -10.742 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.281 3.452 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.543 4.182 -9.137 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.849 4.564 -9.753 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.208 5.307 -8.207 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.960 5.898 -11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.648 7.617 -11.111 1.00 0.00 H new ATOM 130 N ASN A 10 -8.701 6.318 -7.973 1.00 0.00 N ATOM 131 CA ASN A 10 -7.937 7.281 -7.190 1.00 0.00 C ATOM 132 C ASN A 10 -7.008 6.572 -6.206 1.00 0.00 C ATOM 133 O ASN A 10 -7.104 6.767 -4.994 1.00 0.00 O ATOM 134 CB ASN A 10 -8.882 8.220 -6.437 1.00 0.00 C ATOM 135 CG ASN A 10 -9.265 9.435 -7.258 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.195 9.415 -8.487 1.00 0.00 O ATOM 137 ND2 ASN A 10 -9.673 10.502 -6.582 1.00 0.00 N ATOM 0 H ASN A 10 -8.575 6.401 -8.982 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.325 7.867 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.784 7.675 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.406 8.545 -5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.944 11.349 -7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.716 10.475 -5.563 1.00 0.00 H new ATOM 144 N ILE A 11 -6.106 5.752 -6.737 1.00 0.00 N ATOM 145 CA ILE A 11 -5.156 5.019 -5.906 1.00 0.00 C ATOM 146 C ILE A 11 -3.854 5.801 -5.767 1.00 0.00 C ATOM 147 O ILE A 11 -3.159 6.045 -6.752 1.00 0.00 O ATOM 148 CB ILE A 11 -4.843 3.619 -6.485 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.993 3.118 -7.365 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.570 2.631 -5.360 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.335 3.110 -6.664 1.00 0.00 C ATOM 0 H ILE A 11 -6.013 5.578 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.621 4.893 -4.928 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.951 3.701 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.060 3.747 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.765 2.108 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.351 1.650 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.716 2.973 -4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.447 2.561 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.101 2.744 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.286 2.458 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.586 4.122 -6.347 1.00 0.00 H new ATOM 163 N TRP A 12 -3.531 6.196 -4.540 1.00 0.00 N ATOM 164 CA TRP A 12 -2.313 6.957 -4.280 1.00 0.00 C ATOM 165 C TRP A 12 -1.923 6.880 -2.807 1.00 0.00 C ATOM 166 O TRP A 12 -2.511 6.122 -2.037 1.00 0.00 O ATOM 167 CB TRP A 12 -2.505 8.418 -4.694 1.00 0.00 C ATOM 168 CG TRP A 12 -3.569 9.123 -3.908 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.907 8.850 -3.913 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.385 10.217 -3.003 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.566 9.708 -3.067 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.654 10.557 -2.496 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.271 10.943 -2.570 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.838 11.589 -1.580 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.456 11.968 -1.661 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.731 12.282 -1.174 1.00 0.00 C ATOM 0 H TRP A 12 -4.094 6.003 -3.711 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.508 6.520 -4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.561 8.950 -4.573 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.759 8.458 -5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.378 8.073 -4.497 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.571 9.713 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.284 10.707 -2.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.820 11.834 -1.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.603 12.536 -1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.842 13.088 -0.463 1.00 0.00 H new ATOM 187 N LEU A 13 -0.925 7.670 -2.421 1.00 0.00 N ATOM 188 CA LEU A 13 -0.456 7.689 -1.040 1.00 0.00 C ATOM 189 C LEU A 13 -0.246 9.119 -0.552 1.00 0.00 C ATOM 190 O LEU A 13 0.157 9.995 -1.318 1.00 0.00 O ATOM 191 CB LEU A 13 0.847 6.899 -0.912 1.00 0.00 C ATOM 192 CG LEU A 13 1.014 6.133 0.402 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.118 5.133 0.584 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.363 5.430 0.440 1.00 0.00 C ATOM 0 H LEU A 13 -0.426 8.305 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.220 7.223 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.907 6.190 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.684 7.588 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 13 0.976 6.846 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.017 4.597 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.071 5.662 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.112 4.423 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.465 4.890 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.431 4.727 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.161 6.168 0.357 1.00 0.00 H new ATOM 206 N GLU A 14 -0.519 9.347 0.729 1.00 0.00 N ATOM 207 CA GLU A 14 -0.357 10.668 1.323 1.00 0.00 C ATOM 208 C GLU A 14 0.704 10.638 2.419 1.00 0.00 C ATOM 209 O GLU A 14 0.589 9.890 3.389 1.00 0.00 O ATOM 210 CB GLU A 14 -1.690 11.165 1.891 1.00 0.00 C ATOM 211 CG GLU A 14 -1.569 12.436 2.716 1.00 0.00 C ATOM 212 CD GLU A 14 -2.888 12.863 3.330 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.577 12.001 3.916 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.233 14.059 3.224 1.00 0.00 O ATOM 0 H GLU A 14 -0.854 8.633 1.376 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.030 11.356 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.382 11.342 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.125 10.381 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.837 12.281 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.190 13.239 2.084 1.00 0.00 H new ATOM 221 N ASP A 15 1.737 11.455 2.252 1.00 0.00 N ATOM 222 CA ASP A 15 2.825 11.526 3.221 1.00 0.00 C ATOM 223 C ASP A 15 3.511 10.169 3.381 1.00 0.00 C ATOM 224 O ASP A 15 4.219 9.934 4.360 1.00 0.00 O ATOM 225 CB ASP A 15 2.300 12.014 4.574 1.00 0.00 C ATOM 226 CG ASP A 15 2.921 13.332 4.994 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.472 14.386 4.496 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.856 13.310 5.822 1.00 0.00 O ATOM 0 H ASP A 15 1.845 12.079 1.453 1.00 0.00 H new ATOM 0 HA ASP A 15 3.562 12.237 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.217 12.126 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.506 11.260 5.334 1.00 0.00 H new ATOM 233 N GLY A 16 3.305 9.282 2.410 1.00 0.00 N ATOM 234 CA GLY A 16 3.917 7.968 2.461 1.00 0.00 C ATOM 235 C GLY A 16 3.519 7.175 3.691 1.00 0.00 C ATOM 236 O GLY A 16 4.378 6.741 4.459 1.00 0.00 O ATOM 0 H GLY A 16 2.724 9.452 1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.637 7.408 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.001 8.078 2.441 1.00 0.00 H new ATOM 240 N HIS A 17 2.218 6.973 3.873 1.00 0.00 N ATOM 241 CA HIS A 17 1.719 6.213 5.016 1.00 0.00 C ATOM 242 C HIS A 17 0.201 6.035 4.950 1.00 0.00 C ATOM 243 O HIS A 17 -0.333 5.036 5.432 1.00 0.00 O ATOM 244 CB HIS A 17 2.126 6.886 6.332 1.00 0.00 C ATOM 245 CG HIS A 17 1.366 8.138 6.650 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.273 9.207 5.784 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.668 8.490 7.756 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.552 10.163 6.344 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.173 9.752 7.540 1.00 0.00 N ATOM 0 H HIS A 17 1.492 7.323 3.247 1.00 0.00 H new ATOM 0 HA HIS A 17 2.172 5.222 4.978 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.988 6.175 7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.189 7.122 6.291 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.695 9.253 4.856 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.527 7.890 8.643 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.314 11.118 5.899 1.00 0.00 H new ATOM 258 N ILE A 18 -0.490 7.001 4.351 1.00 0.00 N ATOM 259 CA ILE A 18 -1.943 6.933 4.228 1.00 0.00 C ATOM 260 C ILE A 18 -2.355 6.495 2.823 1.00 0.00 C ATOM 261 O ILE A 18 -1.882 7.041 1.826 1.00 0.00 O ATOM 262 CB ILE A 18 -2.598 8.291 4.558 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.316 8.668 6.015 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.100 8.247 4.295 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.102 7.854 7.021 1.00 0.00 C ATOM 0 H ILE A 18 -0.069 7.837 3.945 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.292 6.192 4.947 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.166 9.052 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.251 8.543 6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.545 9.724 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.540 9.215 4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.279 8.017 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.556 7.477 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.848 8.179 8.030 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.169 7.998 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.855 6.798 6.907 1.00 0.00 H new ATOM 277 N LEU A 19 -3.240 5.504 2.757 1.00 0.00 N ATOM 278 CA LEU A 19 -3.721 4.984 1.481 1.00 0.00 C ATOM 279 C LEU A 19 -5.173 5.383 1.243 1.00 0.00 C ATOM 280 O LEU A 19 -5.991 5.355 2.160 1.00 0.00 O ATOM 281 CB LEU A 19 -3.593 3.458 1.455 1.00 0.00 C ATOM 282 CG LEU A 19 -3.854 2.797 0.098 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.339 2.810 -0.230 1.00 0.00 C ATOM 284 CD2 LEU A 19 -3.057 3.489 -0.998 1.00 0.00 C ATOM 0 H LEU A 19 -3.639 5.044 3.575 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.110 5.413 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.589 3.190 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.289 3.040 2.183 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.527 1.759 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.502 2.336 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.886 2.264 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.695 3.840 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.256 3.005 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.350 4.537 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.993 3.421 -0.772 1.00 0.00 H new ATOM 296 N HIS A 20 -5.488 5.745 0.003 1.00 0.00 N ATOM 297 CA HIS A 20 -6.847 6.140 -0.357 1.00 0.00 C ATOM 298 C HIS A 20 -7.246 5.525 -1.694 1.00 0.00 C ATOM 299 O HIS A 20 -6.477 5.555 -2.655 1.00 0.00 O ATOM 300 CB HIS A 20 -6.983 7.668 -0.427 1.00 0.00 C ATOM 301 CG HIS A 20 -5.800 8.415 0.108 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.566 8.406 -0.506 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.670 9.203 1.201 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.727 9.155 0.187 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.373 9.650 1.227 1.00 0.00 N ATOM 0 H HIS A 20 -4.822 5.773 -0.769 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.515 5.770 0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.144 7.960 -1.465 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.870 7.968 0.130 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.337 7.900 -1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.443 9.436 1.918 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.690 9.332 -0.056 1.00 0.00 H new ATOM 314 N ALA A 21 -8.450 4.967 -1.749 1.00 0.00 N ATOM 315 CA ALA A 21 -8.945 4.346 -2.971 1.00 0.00 C ATOM 316 C ALA A 21 -10.452 4.127 -2.905 1.00 0.00 C ATOM 317 O ALA A 21 -10.985 3.706 -1.878 1.00 0.00 O ATOM 318 CB ALA A 21 -8.226 3.028 -3.219 1.00 0.00 C ATOM 0 H ALA A 21 -9.100 4.932 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.741 5.021 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.605 2.574 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.156 3.211 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.402 2.354 -2.380 1.00 0.00 H new ATOM 324 N GLU A 22 -11.133 4.414 -4.009 1.00 0.00 N ATOM 325 CA GLU A 22 -12.581 4.248 -4.080 1.00 0.00 C ATOM 326 C GLU A 22 -12.939 2.844 -4.553 1.00 0.00 C ATOM 327 O GLU A 22 -12.935 2.564 -5.751 1.00 0.00 O ATOM 328 CB GLU A 22 -13.192 5.284 -5.028 1.00 0.00 C ATOM 329 CG GLU A 22 -12.501 6.638 -4.989 1.00 0.00 C ATOM 330 CD GLU A 22 -12.618 7.313 -3.637 1.00 0.00 C ATOM 331 OE1 GLU A 22 -11.769 7.041 -2.762 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.559 8.114 -3.454 1.00 0.00 O ATOM 0 H GLU A 22 -10.706 4.763 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.988 4.397 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.154 4.897 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.244 5.417 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.447 6.511 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.933 7.285 -5.753 1.00 0.00 H new ATOM 339 N CYS A 23 -13.246 1.962 -3.607 1.00 0.00 N ATOM 340 CA CYS A 23 -13.603 0.587 -3.935 1.00 0.00 C ATOM 341 C CYS A 23 -15.111 0.380 -3.865 1.00 0.00 C ATOM 342 O CYS A 23 -15.764 0.802 -2.910 1.00 0.00 O ATOM 343 CB CYS A 23 -12.899 -0.384 -2.986 1.00 0.00 C ATOM 344 SG CYS A 23 -11.126 -0.079 -2.799 1.00 0.00 S ATOM 0 H CYS A 23 -13.255 2.175 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.277 0.390 -4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.372 -0.325 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.045 -1.401 -3.350 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.935 1.147 -2.411 1.00 0.00 H new ATOM 350 N GLY A 24 -15.659 -0.275 -4.883 1.00 0.00 N ATOM 351 CA GLY A 24 -17.087 -0.531 -4.919 1.00 0.00 C ATOM 352 C GLY A 24 -17.495 -1.658 -3.990 1.00 0.00 C ATOM 353 O GLY A 24 -16.649 -2.276 -3.344 1.00 0.00 O ATOM 0 H GLY A 24 -15.139 -0.633 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.623 0.377 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.384 -0.778 -5.938 1.00 0.00 H new ATOM 357 N ASN A 25 -18.795 -1.927 -3.923 1.00 0.00 N ATOM 358 CA ASN A 25 -19.313 -2.990 -3.064 1.00 0.00 C ATOM 359 C ASN A 25 -19.904 -4.125 -3.896 1.00 0.00 C ATOM 360 O ASN A 25 -19.911 -5.280 -3.470 1.00 0.00 O ATOM 361 CB ASN A 25 -20.371 -2.446 -2.092 1.00 0.00 C ATOM 362 CG ASN A 25 -20.818 -1.035 -2.428 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.560 -0.094 -1.677 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.493 -0.882 -3.561 1.00 0.00 N ATOM 0 H ASN A 25 -19.509 -1.426 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.477 -3.381 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.238 -3.107 -2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.968 -2.462 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.820 0.043 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.685 -1.690 -4.154 1.00 0.00 H new ATOM 371 N GLY A 26 -20.400 -3.790 -5.083 1.00 0.00 N ATOM 372 CA GLY A 26 -20.987 -4.794 -5.951 1.00 0.00 C ATOM 373 C GLY A 26 -22.295 -4.335 -6.563 1.00 0.00 C ATOM 374 O GLY A 26 -22.666 -4.770 -7.653 1.00 0.00 O ATOM 0 H GLY A 26 -20.406 -2.842 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -20.283 -5.039 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -21.156 -5.708 -5.382 1.00 0.00 H new ATOM 378 N GLU A 27 -22.997 -3.453 -5.859 1.00 0.00 N ATOM 379 CA GLU A 27 -24.271 -2.932 -6.338 1.00 0.00 C ATOM 380 C GLU A 27 -24.075 -2.070 -7.582 1.00 0.00 C ATOM 381 O GLU A 27 -24.982 -1.935 -8.404 1.00 0.00 O ATOM 382 CB GLU A 27 -24.958 -2.117 -5.241 1.00 0.00 C ATOM 383 CG GLU A 27 -25.151 -2.884 -3.944 1.00 0.00 C ATOM 384 CD GLU A 27 -26.360 -3.799 -3.982 1.00 0.00 C ATOM 385 OE1 GLU A 27 -27.496 -3.284 -3.906 1.00 0.00 O ATOM 386 OE2 GLU A 27 -26.171 -5.029 -4.089 1.00 0.00 O ATOM 0 H GLU A 27 -22.704 -3.084 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 27 -24.904 -3.779 -6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -24.367 -1.223 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -25.930 -1.782 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -24.259 -3.476 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -25.260 -2.178 -3.121 1.00 0.00 H new ATOM 393 N GLY A 28 -22.886 -1.489 -7.715 1.00 0.00 N ATOM 394 CA GLY A 28 -22.595 -0.649 -8.862 1.00 0.00 C ATOM 395 C GLY A 28 -22.086 0.729 -8.473 1.00 0.00 C ATOM 396 O GLY A 28 -21.817 1.561 -9.339 1.00 0.00 O ATOM 0 H GLY A 28 -22.120 -1.585 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.851 -1.142 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.497 -0.541 -9.465 1.00 0.00 H new ATOM 400 N ASP A 29 -21.954 0.974 -7.172 1.00 0.00 N ATOM 401 CA ASP A 29 -21.475 2.262 -6.684 1.00 0.00 C ATOM 402 C ASP A 29 -20.094 2.127 -6.050 1.00 0.00 C ATOM 403 O ASP A 29 -19.672 1.030 -5.686 1.00 0.00 O ATOM 404 CB ASP A 29 -22.460 2.844 -5.669 1.00 0.00 C ATOM 405 CG ASP A 29 -23.513 3.719 -6.320 1.00 0.00 C ATOM 406 OD1 ASP A 29 -24.399 3.169 -7.008 1.00 0.00 O ATOM 407 OD2 ASP A 29 -23.452 4.954 -6.143 1.00 0.00 O ATOM 0 H ASP A 29 -22.172 0.299 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 29 -21.398 2.938 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -22.949 2.030 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.912 3.429 -4.930 1.00 0.00 H new ATOM 412 N TYR A 30 -19.396 3.251 -5.921 1.00 0.00 N ATOM 413 CA TYR A 30 -18.062 3.259 -5.331 1.00 0.00 C ATOM 414 C TYR A 30 -18.102 3.802 -3.906 1.00 0.00 C ATOM 415 O TYR A 30 -19.031 4.517 -3.530 1.00 0.00 O ATOM 416 CB TYR A 30 -17.109 4.095 -6.188 1.00 0.00 C ATOM 417 CG TYR A 30 -16.360 3.289 -7.228 1.00 0.00 C ATOM 418 CD1 TYR A 30 -16.919 2.146 -7.787 1.00 0.00 C ATOM 419 CD2 TYR A 30 -15.093 3.672 -7.648 1.00 0.00 C ATOM 420 CE1 TYR A 30 -16.236 1.408 -8.735 1.00 0.00 C ATOM 421 CE2 TYR A 30 -14.404 2.940 -8.596 1.00 0.00 C ATOM 422 CZ TYR A 30 -14.979 1.810 -9.136 1.00 0.00 C ATOM 423 OH TYR A 30 -14.296 1.078 -10.080 1.00 0.00 O ATOM 0 H TYR A 30 -19.732 4.168 -6.217 1.00 0.00 H new ATOM 0 HA TYR A 30 -17.698 2.232 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.678 4.879 -6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.389 4.590 -5.537 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -17.903 1.829 -7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.639 4.557 -7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -16.684 0.522 -9.159 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.420 3.252 -8.912 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.426 1.496 -10.252 1.00 0.00 H new ATOM 433 N VAL A 31 -17.093 3.453 -3.114 1.00 0.00 N ATOM 434 CA VAL A 31 -17.023 3.903 -1.728 1.00 0.00 C ATOM 435 C VAL A 31 -15.626 4.396 -1.366 1.00 0.00 C ATOM 436 O VAL A 31 -14.639 3.682 -1.540 1.00 0.00 O ATOM 437 CB VAL A 31 -17.420 2.779 -0.753 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.585 3.327 0.656 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.696 2.091 -1.219 1.00 0.00 C ATOM 0 H VAL A 31 -16.315 2.862 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.728 4.729 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.621 2.038 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.866 2.518 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.644 3.766 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.364 4.090 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.960 1.300 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.506 2.819 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.537 1.661 -2.208 1.00 0.00 H new ATOM 449 N GLU A 32 -15.552 5.623 -0.857 1.00 0.00 N ATOM 450 CA GLU A 32 -14.285 6.217 -0.463 1.00 0.00 C ATOM 451 C GLU A 32 -13.742 5.563 0.804 1.00 0.00 C ATOM 452 O GLU A 32 -14.340 5.670 1.874 1.00 0.00 O ATOM 453 CB GLU A 32 -14.466 7.716 -0.233 1.00 0.00 C ATOM 454 CG GLU A 32 -13.177 8.501 -0.357 1.00 0.00 C ATOM 455 CD GLU A 32 -13.345 9.964 0.004 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.773 10.746 -0.871 1.00 0.00 O ATOM 457 OE2 GLU A 32 -13.049 10.328 1.162 1.00 0.00 O ATOM 0 H GLU A 32 -16.362 6.225 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.567 6.054 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.189 8.102 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.887 7.876 0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.422 8.056 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.806 8.424 -1.379 1.00 0.00 H new ATOM 464 N SER A 33 -12.603 4.891 0.677 1.00 0.00 N ATOM 465 CA SER A 33 -11.979 4.226 1.813 1.00 0.00 C ATOM 466 C SER A 33 -10.481 4.512 1.848 1.00 0.00 C ATOM 467 O SER A 33 -9.910 4.994 0.869 1.00 0.00 O ATOM 468 CB SER A 33 -12.227 2.720 1.751 1.00 0.00 C ATOM 469 OG SER A 33 -13.575 2.415 2.060 1.00 0.00 O ATOM 0 H SER A 33 -12.094 4.793 -0.201 1.00 0.00 H new ATOM 0 HA SER A 33 -12.427 4.618 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.985 2.349 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.565 2.210 2.451 1.00 0.00 H new ATOM 0 HG SER A 33 -13.659 2.238 3.020 1.00 0.00 H new ATOM 475 N THR A 34 -9.851 4.219 2.980 1.00 0.00 N ATOM 476 CA THR A 34 -8.420 4.453 3.136 1.00 0.00 C ATOM 477 C THR A 34 -7.783 3.397 4.033 1.00 0.00 C ATOM 478 O THR A 34 -8.451 2.797 4.876 1.00 0.00 O ATOM 479 CB THR A 34 -8.178 5.848 3.717 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.927 6.032 4.906 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.547 6.965 2.764 1.00 0.00 C ATOM 0 H THR A 34 -10.307 3.820 3.801 1.00 0.00 H new ATOM 0 HA THR A 34 -7.957 4.386 2.152 1.00 0.00 H new ATOM 0 HB THR A 34 -7.107 5.899 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.758 6.929 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.351 7.927 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.951 6.880 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.605 6.893 2.512 1.00 0.00 H new ATOM 489 N LEU A 35 -6.486 3.176 3.845 1.00 0.00 N ATOM 490 CA LEU A 35 -5.752 2.193 4.635 1.00 0.00 C ATOM 491 C LEU A 35 -4.447 2.783 5.159 1.00 0.00 C ATOM 492 O LEU A 35 -3.729 3.469 4.432 1.00 0.00 O ATOM 493 CB LEU A 35 -5.458 0.948 3.795 1.00 0.00 C ATOM 494 CG LEU A 35 -4.910 -0.247 4.580 1.00 0.00 C ATOM 495 CD1 LEU A 35 -5.913 -1.391 4.587 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.581 -0.706 3.997 1.00 0.00 C ATOM 0 H LEU A 35 -5.920 3.665 3.151 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.373 1.912 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.375 0.643 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.741 1.213 3.018 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.744 0.069 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.504 -2.230 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.841 -1.059 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.114 -1.705 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.207 -1.556 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.722 -1.001 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.860 0.110 4.048 1.00 0.00 H new ATOM 508 N ASP A 36 -4.144 2.509 6.424 1.00 0.00 N ATOM 509 CA ASP A 36 -2.924 3.009 7.042 1.00 0.00 C ATOM 510 C ASP A 36 -1.829 1.952 7.004 1.00 0.00 C ATOM 511 O ASP A 36 -2.001 0.845 7.503 1.00 0.00 O ATOM 512 CB ASP A 36 -3.195 3.432 8.488 1.00 0.00 C ATOM 513 CG ASP A 36 -1.968 4.018 9.159 1.00 0.00 C ATOM 514 OD1 ASP A 36 -0.968 3.286 9.313 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.007 5.210 9.531 1.00 0.00 O ATOM 0 H ASP A 36 -4.728 1.943 7.040 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.587 3.878 6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.000 4.167 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.540 2.569 9.058 1.00 0.00 H new ATOM 520 N LEU A 37 -0.707 2.300 6.396 1.00 0.00 N ATOM 521 CA LEU A 37 0.423 1.386 6.292 1.00 0.00 C ATOM 522 C LEU A 37 1.332 1.515 7.500 1.00 0.00 C ATOM 523 O LEU A 37 1.998 0.559 7.898 1.00 0.00 O ATOM 524 CB LEU A 37 1.207 1.657 5.024 1.00 0.00 C ATOM 525 CG LEU A 37 0.353 2.086 3.841 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.043 3.200 3.090 1.00 0.00 C ATOM 527 CD2 LEU A 37 0.063 0.895 2.946 1.00 0.00 C ATOM 0 H LEU A 37 -0.552 3.211 5.965 1.00 0.00 H new ATOM 0 HA LEU A 37 0.034 0.369 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.945 2.434 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.758 0.757 4.752 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.604 2.467 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.427 3.504 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.190 4.051 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.010 2.851 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.549 1.214 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.001 0.480 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.472 0.134 3.515 1.00 0.00 H new ATOM 539 N ASP A 38 1.351 2.708 8.086 1.00 0.00 N ATOM 540 CA ASP A 38 2.173 2.967 9.259 1.00 0.00 C ATOM 541 C ASP A 38 1.826 1.996 10.381 1.00 0.00 C ATOM 542 O ASP A 38 2.563 1.875 11.360 1.00 0.00 O ATOM 543 CB ASP A 38 1.983 4.408 9.735 1.00 0.00 C ATOM 544 CG ASP A 38 2.963 4.791 10.826 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.060 5.285 10.492 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.633 4.596 12.015 1.00 0.00 O ATOM 0 H ASP A 38 0.806 3.509 7.767 1.00 0.00 H new ATOM 0 HA ASP A 38 3.218 2.822 8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.102 5.086 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.965 4.534 10.104 1.00 0.00 H new ATOM 551 N TYR A 39 0.701 1.300 10.230 1.00 0.00 N ATOM 552 CA TYR A 39 0.269 0.335 11.236 1.00 0.00 C ATOM 553 C TYR A 39 -0.027 -1.032 10.611 1.00 0.00 C ATOM 554 O TYR A 39 -0.461 -1.956 11.299 1.00 0.00 O ATOM 555 CB TYR A 39 -0.954 0.872 11.993 1.00 0.00 C ATOM 556 CG TYR A 39 -2.287 0.445 11.419 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.529 0.520 10.057 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.301 -0.030 12.242 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.746 0.135 9.526 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.520 -0.419 11.720 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.737 -0.334 10.361 1.00 0.00 C ATOM 562 OH TYR A 39 -5.949 -0.720 9.836 1.00 0.00 O ATOM 0 H TYR A 39 0.077 1.386 9.427 1.00 0.00 H new ATOM 0 HA TYR A 39 1.084 0.196 11.946 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.897 0.541 13.030 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.910 1.961 12.003 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.754 0.885 9.399 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.134 -0.096 13.307 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.919 0.201 8.462 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.298 -0.787 12.372 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.862 -1.609 9.432 1.00 0.00 H new ATOM 572 N TYR A 40 0.216 -1.156 9.307 1.00 0.00 N ATOM 573 CA TYR A 40 -0.020 -2.411 8.599 1.00 0.00 C ATOM 574 C TYR A 40 1.281 -2.963 8.019 1.00 0.00 C ATOM 575 O TYR A 40 1.444 -4.175 7.882 1.00 0.00 O ATOM 576 CB TYR A 40 -1.047 -2.207 7.482 1.00 0.00 C ATOM 577 CG TYR A 40 -2.442 -2.677 7.838 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.875 -2.706 9.159 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.327 -3.092 6.850 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.148 -3.135 9.484 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.602 -3.521 7.168 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.007 -3.541 8.486 1.00 0.00 C ATOM 583 OH TYR A 40 -6.276 -3.967 8.805 1.00 0.00 O ATOM 0 H TYR A 40 0.576 -0.403 8.721 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.412 -3.134 9.314 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.085 -1.148 7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.711 -2.738 6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.205 -2.388 9.944 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.013 -3.079 5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.468 -3.152 10.515 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.278 -3.839 6.388 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.753 -4.217 7.986 1.00 0.00 H new ATOM 593 N ILE A 41 2.206 -2.067 7.682 1.00 0.00 N ATOM 594 CA ILE A 41 3.492 -2.465 7.121 1.00 0.00 C ATOM 595 C ILE A 41 4.641 -1.995 8.009 1.00 0.00 C ATOM 596 O ILE A 41 4.596 -0.900 8.571 1.00 0.00 O ATOM 597 CB ILE A 41 3.682 -1.904 5.696 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.639 -2.501 4.751 1.00 0.00 C ATOM 599 CG2 ILE A 41 5.088 -2.192 5.184 1.00 0.00 C ATOM 600 CD1 ILE A 41 2.135 -1.523 3.713 1.00 0.00 C ATOM 0 H ILE A 41 2.087 -1.060 7.788 1.00 0.00 H new ATOM 0 HA ILE A 41 3.499 -3.554 7.071 1.00 0.00 H new ATOM 0 HB ILE A 41 3.547 -0.823 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.071 -3.365 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.795 -2.864 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.199 -1.787 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.819 -1.726 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.254 -3.269 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.398 -2.014 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.674 -0.670 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.969 -1.179 3.102 1.00 0.00 H new ATOM 612 N GLY A 42 5.670 -2.828 8.133 1.00 0.00 N ATOM 613 CA GLY A 42 6.813 -2.477 8.956 1.00 0.00 C ATOM 614 C GLY A 42 8.132 -2.627 8.223 1.00 0.00 C ATOM 615 O GLY A 42 8.170 -3.089 7.083 1.00 0.00 O ATOM 0 H GLY A 42 5.733 -3.739 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.707 -1.447 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.823 -3.108 9.845 1.00 0.00 H new ATOM 619 N ASN A 43 9.216 -2.234 8.884 1.00 0.00 N ATOM 620 CA ASN A 43 10.548 -2.323 8.297 1.00 0.00 C ATOM 621 C ASN A 43 11.215 -3.645 8.662 1.00 0.00 C ATOM 622 O ASN A 43 11.649 -3.841 9.797 1.00 0.00 O ATOM 623 CB ASN A 43 11.415 -1.155 8.773 1.00 0.00 C ATOM 624 CG ASN A 43 12.836 -1.224 8.243 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.483 -2.270 8.297 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.332 -0.106 7.731 1.00 0.00 N ATOM 0 H ASN A 43 9.198 -1.850 9.829 1.00 0.00 H new ATOM 0 HA ASN A 43 10.445 -2.274 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.959 -0.217 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.438 -1.146 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.283 -0.092 7.363 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.762 0.740 7.705 1.00 0.00 H new ATOM 633 N ASP A 44 11.301 -4.545 7.690 1.00 0.00 N ATOM 634 CA ASP A 44 11.926 -5.844 7.907 1.00 0.00 C ATOM 635 C ASP A 44 13.227 -5.954 7.119 1.00 0.00 C ATOM 636 O ASP A 44 13.217 -6.256 5.925 1.00 0.00 O ATOM 637 CB ASP A 44 10.972 -6.968 7.500 1.00 0.00 C ATOM 638 CG ASP A 44 11.414 -8.320 8.025 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.552 -8.733 7.719 1.00 0.00 O ATOM 640 OD2 ASP A 44 10.622 -8.965 8.744 1.00 0.00 O ATOM 0 H ASP A 44 10.946 -4.400 6.745 1.00 0.00 H new ATOM 0 HA ASP A 44 12.153 -5.940 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.972 -6.745 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.905 -7.008 6.413 1.00 0.00 H new ATOM 645 N ASP A 45 14.345 -5.706 7.793 1.00 0.00 N ATOM 646 CA ASP A 45 15.655 -5.777 7.155 1.00 0.00 C ATOM 647 C ASP A 45 15.714 -4.866 5.932 1.00 0.00 C ATOM 648 O ASP A 45 16.166 -5.272 4.861 1.00 0.00 O ATOM 649 CB ASP A 45 15.971 -7.218 6.751 1.00 0.00 C ATOM 650 CG ASP A 45 17.394 -7.381 6.253 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.326 -6.978 6.979 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.575 -7.912 5.137 1.00 0.00 O ATOM 0 H ASP A 45 14.370 -5.454 8.781 1.00 0.00 H new ATOM 0 HA ASP A 45 16.401 -5.438 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.811 -7.875 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.278 -7.534 5.971 1.00 0.00 H new ATOM 657 N GLY A 46 15.250 -3.631 6.099 1.00 0.00 N ATOM 658 CA GLY A 46 15.255 -2.682 5.002 1.00 0.00 C ATOM 659 C GLY A 46 14.298 -3.070 3.890 1.00 0.00 C ATOM 660 O GLY A 46 14.420 -2.591 2.763 1.00 0.00 O ATOM 0 H GLY A 46 14.871 -3.271 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.987 -1.695 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.264 -2.605 4.597 1.00 0.00 H new ATOM 664 N SER A 47 13.344 -3.941 4.207 1.00 0.00 N ATOM 665 CA SER A 47 12.364 -4.391 3.225 1.00 0.00 C ATOM 666 C SER A 47 10.944 -4.238 3.761 1.00 0.00 C ATOM 667 O SER A 47 10.733 -4.142 4.970 1.00 0.00 O ATOM 668 CB SER A 47 12.623 -5.851 2.848 1.00 0.00 C ATOM 669 OG SER A 47 12.144 -6.136 1.546 1.00 0.00 O ATOM 0 H SER A 47 13.229 -4.348 5.135 1.00 0.00 H new ATOM 0 HA SER A 47 12.466 -3.768 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.692 -6.058 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.136 -6.508 3.569 1.00 0.00 H new ATOM 0 HG SER A 47 12.324 -7.075 1.330 1.00 0.00 H new ATOM 675 N PHE A 48 9.974 -4.219 2.853 1.00 0.00 N ATOM 676 CA PHE A 48 8.573 -4.081 3.233 1.00 0.00 C ATOM 677 C PHE A 48 8.013 -5.409 3.734 1.00 0.00 C ATOM 678 O PHE A 48 8.303 -6.466 3.174 1.00 0.00 O ATOM 679 CB PHE A 48 7.749 -3.584 2.045 1.00 0.00 C ATOM 680 CG PHE A 48 7.934 -2.122 1.751 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.789 -1.176 2.753 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.251 -1.695 0.471 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.957 0.169 2.484 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.421 -0.351 0.197 1.00 0.00 C ATOM 685 CZ PHE A 48 8.274 0.583 1.204 1.00 0.00 C ATOM 0 H PHE A 48 10.133 -4.297 1.848 1.00 0.00 H new ATOM 0 HA PHE A 48 8.511 -3.352 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.019 -4.160 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.694 -3.776 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.542 -1.493 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.366 -2.420 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.841 0.896 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.669 -0.031 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.406 1.634 0.992 1.00 0.00 H new ATOM 695 N SER A 49 7.210 -5.348 4.791 1.00 0.00 N ATOM 696 CA SER A 49 6.611 -6.547 5.365 1.00 0.00 C ATOM 697 C SER A 49 5.111 -6.363 5.577 1.00 0.00 C ATOM 698 O SER A 49 4.676 -5.390 6.192 1.00 0.00 O ATOM 699 CB SER A 49 7.289 -6.894 6.693 1.00 0.00 C ATOM 700 OG SER A 49 8.112 -8.040 6.562 1.00 0.00 O ATOM 0 H SER A 49 6.959 -4.482 5.267 1.00 0.00 H new ATOM 0 HA SER A 49 6.759 -7.368 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.889 -6.049 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.531 -7.072 7.456 1.00 0.00 H new ATOM 0 HG SER A 49 8.407 -8.334 7.449 1.00 0.00 H new ATOM 706 N TRP A 50 4.326 -7.305 5.064 1.00 0.00 N ATOM 707 CA TRP A 50 2.876 -7.248 5.200 1.00 0.00 C ATOM 708 C TRP A 50 2.447 -7.670 6.601 1.00 0.00 C ATOM 709 O TRP A 50 2.655 -8.813 7.007 1.00 0.00 O ATOM 710 CB TRP A 50 2.210 -8.149 4.158 1.00 0.00 C ATOM 711 CG TRP A 50 2.064 -7.503 2.814 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.647 -7.903 1.646 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.285 -6.343 2.498 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.278 -7.063 0.623 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.442 -6.098 1.120 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.469 -5.488 3.244 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.814 -5.036 0.476 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.154 -4.433 2.603 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.021 -4.216 1.230 1.00 0.00 C ATOM 0 H TRP A 50 4.670 -8.116 4.551 1.00 0.00 H new ATOM 0 HA TRP A 50 2.559 -6.218 5.036 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.796 -9.062 4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.225 -8.443 4.520 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.302 -8.755 1.541 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.578 -7.145 -0.349 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.328 -5.649 4.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.948 -4.866 -0.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.786 -3.765 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.481 -3.384 0.758 1.00 0.00 H new ATOM 730 N GLY A 51 1.850 -6.739 7.336 1.00 0.00 N ATOM 731 CA GLY A 51 1.403 -7.033 8.685 1.00 0.00 C ATOM 732 C GLY A 51 2.255 -6.357 9.745 1.00 0.00 C ATOM 733 O GLY A 51 2.100 -6.626 10.936 1.00 0.00 O ATOM 0 H GLY A 51 1.667 -5.786 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.367 -6.712 8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.422 -8.111 8.843 1.00 0.00 H new ATOM 737 N GLY A 52 3.154 -5.476 9.314 1.00 0.00 N ATOM 738 CA GLY A 52 4.012 -4.776 10.251 1.00 0.00 C ATOM 739 C GLY A 52 3.481 -3.401 10.602 1.00 0.00 C ATOM 740 O GLY A 52 2.273 -3.167 10.559 1.00 0.00 O ATOM 0 H GLY A 52 3.303 -5.236 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.111 -5.368 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.010 -4.679 9.824 1.00 0.00 H new ATOM 744 N GLU A 53 4.382 -2.489 10.951 1.00 0.00 N ATOM 745 CA GLU A 53 3.991 -1.131 11.310 1.00 0.00 C ATOM 746 C GLU A 53 5.211 -0.270 11.616 1.00 0.00 C ATOM 747 O GLU A 53 6.268 -0.780 11.988 1.00 0.00 O ATOM 748 CB GLU A 53 3.052 -1.152 12.516 1.00 0.00 C ATOM 749 CG GLU A 53 3.536 -2.045 13.648 1.00 0.00 C ATOM 750 CD GLU A 53 3.323 -1.420 15.013 1.00 0.00 C ATOM 751 OE1 GLU A 53 2.195 -0.958 15.286 1.00 0.00 O ATOM 752 OE2 GLU A 53 4.285 -1.394 15.810 1.00 0.00 O ATOM 0 H GLU A 53 5.386 -2.665 10.993 1.00 0.00 H new ATOM 0 HA GLU A 53 3.470 -0.695 10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.933 -0.136 12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.067 -1.490 12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.011 -2.999 13.603 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.596 -2.257 13.511 1.00 0.00 H new ATOM 759 N ASN A 54 5.054 1.041 11.458 1.00 0.00 N ATOM 760 CA ASN A 54 6.139 1.983 11.719 1.00 0.00 C ATOM 761 C ASN A 54 7.246 1.845 10.678 1.00 0.00 C ATOM 762 O ASN A 54 8.409 2.140 10.955 1.00 0.00 O ATOM 763 CB ASN A 54 6.717 1.773 13.123 1.00 0.00 C ATOM 764 CG ASN A 54 5.671 1.339 14.131 1.00 0.00 C ATOM 765 OD1 ASN A 54 4.482 1.916 14.034 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.931 0.493 14.987 1.00 0.00 N flip ATOM 0 H ASN A 54 4.184 1.476 11.150 1.00 0.00 H new ATOM 0 HA ASN A 54 5.724 2.989 11.656 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.505 1.021 13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.180 2.700 13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.861 0.075 15.025 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.217 0.210 15.658 1.00 0.00 H new ATOM 773 N PHE A 55 6.880 1.399 9.480 1.00 0.00 N ATOM 774 CA PHE A 55 7.848 1.228 8.403 1.00 0.00 C ATOM 775 C PHE A 55 8.522 2.555 8.064 1.00 0.00 C ATOM 776 O PHE A 55 9.739 2.619 7.892 1.00 0.00 O ATOM 777 CB PHE A 55 7.164 0.647 7.160 1.00 0.00 C ATOM 778 CG PHE A 55 6.342 1.647 6.394 1.00 0.00 C ATOM 779 CD1 PHE A 55 5.063 1.979 6.811 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.851 2.254 5.257 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.307 2.898 6.109 1.00 0.00 C ATOM 782 CE2 PHE A 55 6.100 3.174 4.550 1.00 0.00 C ATOM 783 CZ PHE A 55 4.827 3.497 4.976 1.00 0.00 C ATOM 0 H PHE A 55 5.923 1.150 9.231 1.00 0.00 H new ATOM 0 HA PHE A 55 8.615 0.531 8.741 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.925 0.234 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.522 -0.180 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.652 1.514 7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.846 2.005 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.311 3.148 6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.508 3.640 3.665 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.238 4.216 4.426 1.00 0.00 H new ATOM 793 N SER A 56 7.720 3.611 7.974 1.00 0.00 N ATOM 794 CA SER A 56 8.236 4.938 7.660 1.00 0.00 C ATOM 795 C SER A 56 9.195 5.426 8.744 1.00 0.00 C ATOM 796 O SER A 56 9.976 6.351 8.522 1.00 0.00 O ATOM 797 CB SER A 56 7.083 5.930 7.499 1.00 0.00 C ATOM 798 OG SER A 56 7.567 7.253 7.340 1.00 0.00 O ATOM 0 H SER A 56 6.710 3.573 8.114 1.00 0.00 H new ATOM 0 HA SER A 56 8.786 4.872 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.479 5.654 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.432 5.880 8.371 1.00 0.00 H new ATOM 0 HG SER A 56 6.811 7.868 7.237 1.00 0.00 H new ATOM 804 N GLY A 57 9.131 4.801 9.919 1.00 0.00 N ATOM 805 CA GLY A 57 9.999 5.188 11.017 1.00 0.00 C ATOM 806 C GLY A 57 11.451 5.318 10.597 1.00 0.00 C ATOM 807 O GLY A 57 12.147 6.239 11.023 1.00 0.00 O ATOM 0 H GLY A 57 8.493 4.033 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.657 6.138 11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.920 4.449 11.815 1.00 0.00 H new ATOM 811 N SER A 58 11.906 4.396 9.755 1.00 0.00 N ATOM 812 CA SER A 58 13.283 4.417 9.274 1.00 0.00 C ATOM 813 C SER A 58 13.328 4.493 7.753 1.00 0.00 C ATOM 814 O SER A 58 14.246 3.967 7.124 1.00 0.00 O ATOM 815 CB SER A 58 14.038 3.174 9.748 1.00 0.00 C ATOM 816 OG SER A 58 15.300 3.521 10.293 1.00 0.00 O ATOM 0 H SER A 58 11.343 3.627 9.392 1.00 0.00 H new ATOM 0 HA SER A 58 13.764 5.305 9.684 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.446 2.649 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.175 2.487 8.913 1.00 0.00 H new ATOM 0 HG SER A 58 15.693 2.738 10.733 1.00 0.00 H new ATOM 822 N ALA A 59 12.335 5.150 7.167 1.00 0.00 N ATOM 823 CA ALA A 59 12.269 5.290 5.719 1.00 0.00 C ATOM 824 C ALA A 59 12.278 6.759 5.313 1.00 0.00 C ATOM 825 O ALA A 59 11.981 7.638 6.122 1.00 0.00 O ATOM 826 CB ALA A 59 11.030 4.592 5.177 1.00 0.00 C ATOM 0 H ALA A 59 11.567 5.593 7.671 1.00 0.00 H new ATOM 0 HA ALA A 59 13.152 4.817 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.994 4.705 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.069 3.533 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.139 5.038 5.618 1.00 0.00 H new ATOM 832 N SER A 60 12.623 7.019 4.057 1.00 0.00 N ATOM 833 CA SER A 60 12.673 8.383 3.547 1.00 0.00 C ATOM 834 C SER A 60 12.017 8.476 2.174 1.00 0.00 C ATOM 835 O SER A 60 12.004 7.508 1.415 1.00 0.00 O ATOM 836 CB SER A 60 14.122 8.867 3.466 1.00 0.00 C ATOM 837 OG SER A 60 14.783 8.706 4.709 1.00 0.00 O ATOM 0 H SER A 60 12.872 6.303 3.374 1.00 0.00 H new ATOM 0 HA SER A 60 12.121 9.022 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.652 8.310 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.142 9.917 3.173 1.00 0.00 H new ATOM 0 HG SER A 60 15.708 9.021 4.631 1.00 0.00 H new ATOM 843 N ASN A 61 11.475 9.654 1.864 1.00 0.00 N ATOM 844 CA ASN A 61 10.811 9.900 0.583 1.00 0.00 C ATOM 845 C ASN A 61 9.977 8.699 0.138 1.00 0.00 C ATOM 846 O ASN A 61 10.228 8.109 -0.913 1.00 0.00 O ATOM 847 CB ASN A 61 11.838 10.253 -0.498 1.00 0.00 C ATOM 848 CG ASN A 61 13.085 9.394 -0.424 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.136 9.843 0.033 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.975 8.151 -0.877 1.00 0.00 N ATOM 0 H ASN A 61 11.483 10.460 2.489 1.00 0.00 H new ATOM 0 HA ASN A 61 10.136 10.744 0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.380 10.137 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.118 11.302 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.781 7.527 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.084 7.820 -1.247 1.00 0.00 H new ATOM 857 N ILE A 62 8.980 8.348 0.943 1.00 0.00 N ATOM 858 CA ILE A 62 8.106 7.223 0.630 1.00 0.00 C ATOM 859 C ILE A 62 6.960 7.668 -0.273 1.00 0.00 C ATOM 860 O ILE A 62 6.182 8.551 0.087 1.00 0.00 O ATOM 861 CB ILE A 62 7.519 6.581 1.904 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.569 6.525 3.017 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.993 5.187 1.599 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.039 5.960 4.316 1.00 0.00 C ATOM 0 H ILE A 62 8.757 8.826 1.816 1.00 0.00 H new ATOM 0 HA ILE A 62 8.717 6.481 0.116 1.00 0.00 H new ATOM 0 HB ILE A 62 6.690 7.199 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.410 5.918 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.952 7.530 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.582 4.746 2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.212 5.250 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.807 4.564 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.836 5.949 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.217 6.580 4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.682 4.943 4.152 1.00 0.00 H new ATOM 876 N THR A 63 6.862 7.057 -1.450 1.00 0.00 N ATOM 877 CA THR A 63 5.811 7.403 -2.401 1.00 0.00 C ATOM 878 C THR A 63 5.306 6.168 -3.142 1.00 0.00 C ATOM 879 O THR A 63 6.005 5.159 -3.237 1.00 0.00 O ATOM 880 CB THR A 63 6.324 8.438 -3.404 1.00 0.00 C ATOM 881 OG1 THR A 63 7.727 8.329 -3.562 1.00 0.00 O ATOM 882 CG2 THR A 63 6.017 9.864 -3.001 1.00 0.00 C ATOM 0 H THR A 63 7.495 6.323 -1.767 1.00 0.00 H new ATOM 0 HA THR A 63 4.979 7.828 -1.839 1.00 0.00 H new ATOM 0 HB THR A 63 5.803 8.221 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.036 8.998 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.408 10.547 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.938 9.994 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.484 10.079 -2.040 1.00 0.00 H new ATOM 890 N LEU A 64 4.088 6.260 -3.666 1.00 0.00 N ATOM 891 CA LEU A 64 3.484 5.154 -4.401 1.00 0.00 C ATOM 892 C LEU A 64 3.480 5.434 -5.901 1.00 0.00 C ATOM 893 O LEU A 64 3.057 6.503 -6.342 1.00 0.00 O ATOM 894 CB LEU A 64 2.054 4.913 -3.912 1.00 0.00 C ATOM 895 CG LEU A 64 1.392 3.642 -4.447 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.876 2.424 -3.676 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.123 3.758 -4.368 1.00 0.00 C ATOM 0 H LEU A 64 3.499 7.090 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 64 4.080 4.260 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.061 4.870 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.441 5.769 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 64 1.674 3.520 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.395 1.529 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.957 2.332 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.624 2.537 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.578 2.845 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.423 3.904 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.454 4.608 -4.964 1.00 0.00 H new ATOM 909 N ASP A 65 3.954 4.467 -6.680 1.00 0.00 N ATOM 910 CA ASP A 65 4.006 4.609 -8.131 1.00 0.00 C ATOM 911 C ASP A 65 3.353 3.412 -8.818 1.00 0.00 C ATOM 912 O ASP A 65 3.304 2.315 -8.262 1.00 0.00 O ATOM 913 CB ASP A 65 5.457 4.755 -8.598 1.00 0.00 C ATOM 914 CG ASP A 65 5.759 6.147 -9.117 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.440 6.425 -10.292 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.317 6.959 -8.349 1.00 0.00 O ATOM 0 H ASP A 65 4.308 3.576 -6.331 1.00 0.00 H new ATOM 0 HA ASP A 65 3.453 5.507 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.127 4.525 -7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.659 4.026 -9.383 1.00 0.00 H new ATOM 921 N ILE A 66 2.855 3.631 -10.031 1.00 0.00 N ATOM 922 CA ILE A 66 2.208 2.574 -10.794 1.00 0.00 C ATOM 923 C ILE A 66 3.242 1.752 -11.561 1.00 0.00 C ATOM 924 O ILE A 66 4.243 2.284 -12.041 1.00 0.00 O ATOM 925 CB ILE A 66 1.167 3.161 -11.777 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.130 3.491 -11.035 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.895 2.203 -12.929 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.921 2.269 -10.616 1.00 0.00 C ATOM 0 H ILE A 66 2.888 4.533 -10.506 1.00 0.00 H new ATOM 0 HA ILE A 66 1.692 1.922 -10.089 1.00 0.00 H new ATOM 0 HB ILE A 66 1.576 4.079 -12.198 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.109 4.079 -10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.755 4.115 -11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.160 2.643 -13.603 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.821 2.017 -13.474 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.510 1.262 -12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.826 2.582 -10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.192 1.690 -11.499 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.315 1.654 -9.951 1.00 0.00 H new ATOM 940 N GLU A 67 2.989 0.452 -11.671 1.00 0.00 N ATOM 941 CA GLU A 67 3.894 -0.446 -12.379 1.00 0.00 C ATOM 942 C GLU A 67 3.122 -1.577 -13.050 1.00 0.00 C ATOM 943 O GLU A 67 2.311 -2.251 -12.415 1.00 0.00 O ATOM 944 CB GLU A 67 4.933 -1.023 -11.414 1.00 0.00 C ATOM 945 CG GLU A 67 6.325 -1.135 -12.014 1.00 0.00 C ATOM 946 CD GLU A 67 6.627 -2.528 -12.530 1.00 0.00 C ATOM 947 OE1 GLU A 67 5.748 -3.120 -13.190 1.00 0.00 O ATOM 948 OE2 GLU A 67 7.742 -3.028 -12.273 1.00 0.00 O ATOM 0 H GLU A 67 2.165 -0.003 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 67 4.406 0.128 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.979 -0.394 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.606 -2.011 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.423 -0.420 -12.831 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.064 -0.862 -11.261 1.00 0.00 H new ATOM 955 N GLY A 68 3.380 -1.779 -14.338 1.00 0.00 N ATOM 956 CA GLY A 68 2.701 -2.829 -15.073 1.00 0.00 C ATOM 957 C GLY A 68 1.573 -2.298 -15.936 1.00 0.00 C ATOM 958 O GLY A 68 1.072 -1.197 -15.707 1.00 0.00 O ATOM 0 H GLY A 68 4.047 -1.235 -14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.421 -3.351 -15.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.303 -3.561 -14.370 1.00 0.00 H new ATOM 962 N ASP A 69 1.173 -3.083 -16.931 1.00 0.00 N ATOM 963 CA ASP A 69 0.097 -2.688 -17.832 1.00 0.00 C ATOM 964 C ASP A 69 -1.257 -2.726 -17.126 1.00 0.00 C ATOM 965 O ASP A 69 -2.231 -2.143 -17.605 1.00 0.00 O ATOM 966 CB ASP A 69 0.073 -3.604 -19.059 1.00 0.00 C ATOM 967 CG ASP A 69 0.713 -2.961 -20.274 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.233 -1.889 -20.699 1.00 0.00 O ATOM 969 OD2 ASP A 69 1.692 -3.529 -20.800 1.00 0.00 O ATOM 0 H ASP A 69 1.578 -3.997 -17.134 1.00 0.00 H new ATOM 0 HA ASP A 69 0.285 -1.663 -18.152 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.594 -4.532 -18.826 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.959 -3.867 -19.292 1.00 0.00 H new ATOM 974 N ASP A 70 -1.316 -3.412 -15.988 1.00 0.00 N ATOM 975 CA ASP A 70 -2.554 -3.520 -15.225 1.00 0.00 C ATOM 976 C ASP A 70 -2.701 -2.364 -14.235 1.00 0.00 C ATOM 977 O ASP A 70 -3.737 -2.223 -13.587 1.00 0.00 O ATOM 978 CB ASP A 70 -2.600 -4.855 -14.478 1.00 0.00 C ATOM 979 CG ASP A 70 -3.467 -5.881 -15.182 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.392 -5.970 -16.426 1.00 0.00 O ATOM 981 OD2 ASP A 70 -4.222 -6.596 -14.489 1.00 0.00 O ATOM 0 H ASP A 70 -0.522 -3.901 -15.575 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.385 -3.471 -15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.588 -5.247 -14.377 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.981 -4.691 -13.470 1.00 0.00 H new ATOM 986 N ASN A 71 -1.659 -1.542 -14.118 1.00 0.00 N ATOM 987 CA ASN A 71 -1.679 -0.406 -13.204 1.00 0.00 C ATOM 988 C ASN A 71 -1.731 -0.878 -11.760 1.00 0.00 C ATOM 989 O ASN A 71 -2.775 -0.822 -11.110 1.00 0.00 O ATOM 990 CB ASN A 71 -2.871 0.506 -13.503 1.00 0.00 C ATOM 991 CG ASN A 71 -2.906 0.957 -14.950 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.329 1.984 -15.307 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.586 0.188 -15.793 1.00 0.00 N ATOM 0 H ASN A 71 -0.792 -1.643 -14.645 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.760 0.161 -13.351 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.796 -0.021 -13.267 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.828 1.381 -12.854 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.645 0.441 -16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.049 -0.655 -15.454 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.593 -1.346 -11.267 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.497 -1.835 -9.900 1.00 0.00 C ATOM 1002 C ILE A 72 0.192 -0.812 -8.998 1.00 0.00 C ATOM 1003 O ILE A 72 1.325 -0.407 -9.262 1.00 0.00 O ATOM 1004 CB ILE A 72 0.276 -3.166 -9.831 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.043 -3.998 -11.095 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.142 -3.946 -8.598 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.395 -4.432 -11.278 1.00 0.00 C ATOM 0 H ILE A 72 0.278 -1.397 -11.795 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.516 -1.998 -9.550 1.00 0.00 H new ATOM 0 HB ILE A 72 1.341 -2.944 -9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.352 -3.417 -11.964 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.679 -4.882 -11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.409 -4.885 -8.557 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.075 -3.359 -7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.211 -4.154 -8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.485 -5.017 -12.193 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.703 -5.040 -10.427 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.035 -3.552 -11.345 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.481 -0.377 -7.917 1.00 0.00 N ATOM 1020 CA PRO A 73 0.081 0.602 -6.981 1.00 0.00 C ATOM 1021 C PRO A 73 1.256 0.039 -6.190 1.00 0.00 C ATOM 1022 O PRO A 73 1.071 -0.723 -5.242 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.089 0.919 -6.046 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.969 -0.280 -6.118 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.837 -0.804 -7.520 1.00 0.00 C ATOM 0 HA PRO A 73 0.477 1.476 -7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.744 1.096 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.618 1.817 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.665 -1.032 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.003 -0.019 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.944 -1.888 -7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.599 -0.387 -8.179 1.00 0.00 H new ATOM 1033 N VAL A 74 2.466 0.417 -6.589 1.00 0.00 N ATOM 1034 CA VAL A 74 3.672 -0.054 -5.918 1.00 0.00 C ATOM 1035 C VAL A 74 4.304 1.049 -5.074 1.00 0.00 C ATOM 1036 O VAL A 74 4.566 2.147 -5.563 1.00 0.00 O ATOM 1037 CB VAL A 74 4.713 -0.571 -6.928 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.872 -1.242 -6.206 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.066 -1.529 -7.917 1.00 0.00 C ATOM 0 H VAL A 74 2.637 1.047 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 74 3.368 -0.874 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 74 5.106 0.280 -7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.597 -1.601 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.352 -0.523 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.499 -2.083 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.816 -1.884 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.644 -2.377 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.274 -1.012 -8.459 1.00 0.00 H new ATOM 1049 N LEU A 75 4.548 0.745 -3.803 1.00 0.00 N ATOM 1050 CA LEU A 75 5.152 1.705 -2.887 1.00 0.00 C ATOM 1051 C LEU A 75 6.659 1.493 -2.799 1.00 0.00 C ATOM 1052 O LEU A 75 7.123 0.446 -2.350 1.00 0.00 O ATOM 1053 CB LEU A 75 4.524 1.579 -1.497 1.00 0.00 C ATOM 1054 CG LEU A 75 5.129 2.485 -0.423 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.949 3.949 -0.794 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.501 2.194 0.932 1.00 0.00 C ATOM 0 H LEU A 75 4.336 -0.160 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 75 4.965 2.708 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.459 1.798 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.613 0.544 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 75 6.197 2.279 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.386 4.577 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.446 4.147 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.886 4.173 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.942 2.847 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.427 2.373 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.683 1.154 1.202 1.00 0.00 H new ATOM 1068 N ARG A 76 7.419 2.493 -3.235 1.00 0.00 N ATOM 1069 CA ARG A 76 8.876 2.413 -3.209 1.00 0.00 C ATOM 1070 C ARG A 76 9.463 3.434 -2.240 1.00 0.00 C ATOM 1071 O ARG A 76 9.096 4.609 -2.261 1.00 0.00 O ATOM 1072 CB ARG A 76 9.443 2.643 -4.611 1.00 0.00 C ATOM 1073 CG ARG A 76 9.549 1.374 -5.441 1.00 0.00 C ATOM 1074 CD ARG A 76 9.570 1.682 -6.929 1.00 0.00 C ATOM 1075 NE ARG A 76 8.229 1.674 -7.510 1.00 0.00 N ATOM 1076 CZ ARG A 76 7.982 1.837 -8.808 1.00 0.00 C ATOM 1077 NH1 ARG A 76 8.981 2.020 -9.662 1.00 0.00 N ATOM 1078 NH2 ARG A 76 6.733 1.816 -9.252 1.00 0.00 N ATOM 0 H ARG A 76 7.051 3.367 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 76 9.153 1.415 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.811 3.359 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.432 3.094 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.455 0.834 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.707 0.719 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.029 2.657 -7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.192 0.948 -7.442 1.00 0.00 H new ATOM 0 HE ARG A 76 7.436 1.535 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.944 2.036 -9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.786 2.144 -10.655 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.962 1.675 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.543 1.941 -10.246 1.00 0.00 H new ATOM 1092 N ALA A 77 10.381 2.978 -1.393 1.00 0.00 N ATOM 1093 CA ALA A 77 11.023 3.851 -0.418 1.00 0.00 C ATOM 1094 C ALA A 77 12.254 3.187 0.190 1.00 0.00 C ATOM 1095 O ALA A 77 12.296 1.967 0.351 1.00 0.00 O ATOM 1096 CB ALA A 77 10.037 4.238 0.674 1.00 0.00 C ATOM 0 H ALA A 77 10.697 2.008 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 77 11.349 4.753 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.530 4.890 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.190 4.762 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.683 3.340 1.180 1.00 0.00 H new ATOM 1102 N GLU A 78 13.251 3.996 0.530 1.00 0.00 N ATOM 1103 CA GLU A 78 14.481 3.485 1.126 1.00 0.00 C ATOM 1104 C GLU A 78 14.274 3.181 2.607 1.00 0.00 C ATOM 1105 O GLU A 78 13.981 4.077 3.398 1.00 0.00 O ATOM 1106 CB GLU A 78 15.616 4.496 0.953 1.00 0.00 C ATOM 1107 CG GLU A 78 15.707 5.074 -0.450 1.00 0.00 C ATOM 1108 CD GLU A 78 16.837 6.074 -0.597 1.00 0.00 C ATOM 1109 OE1 GLU A 78 17.808 5.990 0.185 1.00 0.00 O ATOM 1110 OE2 GLU A 78 16.752 6.939 -1.493 1.00 0.00 O ATOM 0 H GLU A 78 13.232 5.008 0.403 1.00 0.00 H new ATOM 0 HA GLU A 78 14.750 2.561 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.478 5.310 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.562 4.014 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.849 4.263 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.763 5.558 -0.701 1.00 0.00 H new ATOM 1117 N LEU A 79 14.422 1.912 2.974 1.00 0.00 N ATOM 1118 CA LEU A 79 14.243 1.492 4.360 1.00 0.00 C ATOM 1119 C LEU A 79 15.584 1.213 5.031 1.00 0.00 C ATOM 1120 O LEU A 79 16.548 0.816 4.377 1.00 0.00 O ATOM 1121 CB LEU A 79 13.364 0.241 4.423 1.00 0.00 C ATOM 1122 CG LEU A 79 11.879 0.476 4.145 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.191 -0.830 3.773 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.207 1.112 5.354 1.00 0.00 C ATOM 0 H LEU A 79 14.665 1.157 2.332 1.00 0.00 H new ATOM 0 HA LEU A 79 13.755 2.306 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.742 -0.486 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.466 -0.206 5.412 1.00 0.00 H new ATOM 0 HG LEU A 79 11.789 1.161 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.135 -0.642 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.656 -1.245 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.288 -1.539 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.150 1.273 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.306 0.451 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.682 2.068 5.574 1.00 0.00 H new ATOM 1136 N ASN A 80 15.633 1.418 6.344 1.00 0.00 N ATOM 1137 CA ASN A 80 16.849 1.186 7.114 1.00 0.00 C ATOM 1138 C ASN A 80 16.866 -0.232 7.682 1.00 0.00 C ATOM 1139 O ASN A 80 16.112 -0.547 8.603 1.00 0.00 O ATOM 1140 CB ASN A 80 16.943 2.198 8.254 1.00 0.00 C ATOM 1141 CG ASN A 80 17.633 3.481 7.843 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.803 3.478 7.458 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.906 4.588 7.924 1.00 0.00 N ATOM 0 H ASN A 80 14.841 1.745 6.898 1.00 0.00 H new ATOM 0 HA ASN A 80 17.705 1.306 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.940 2.429 8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.484 1.750 9.088 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.313 5.486 7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.940 4.541 8.249 1.00 0.00 H new ATOM 1150 N PRO A 81 17.726 -1.112 7.141 1.00 0.00 N ATOM 1151 CA PRO A 81 17.828 -2.497 7.606 1.00 0.00 C ATOM 1152 C PRO A 81 18.530 -2.603 8.954 1.00 0.00 C ATOM 1153 O PRO A 81 19.153 -1.649 9.420 1.00 0.00 O ATOM 1154 CB PRO A 81 18.658 -3.174 6.516 1.00 0.00 C ATOM 1155 CG PRO A 81 19.495 -2.081 5.948 1.00 0.00 C ATOM 1156 CD PRO A 81 18.665 -0.828 6.041 1.00 0.00 C ATOM 0 HA PRO A 81 16.849 -2.951 7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.275 -3.973 6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.021 -3.623 5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.426 -1.974 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.765 -2.294 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.281 0.045 6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.139 -0.626 5.108 1.00 0.00 H new ATOM 1164 N MET A 82 18.424 -3.771 9.575 1.00 0.00 N ATOM 1165 CA MET A 82 19.048 -4.009 10.872 1.00 0.00 C ATOM 1166 C MET A 82 20.554 -4.208 10.727 1.00 0.00 C ATOM 1167 O MET A 82 21.310 -4.003 11.677 1.00 0.00 O ATOM 1168 CB MET A 82 18.423 -5.233 11.544 1.00 0.00 C ATOM 1169 CG MET A 82 18.351 -6.453 10.640 1.00 0.00 C ATOM 1170 SD MET A 82 18.285 -7.999 11.565 1.00 0.00 S ATOM 1171 CE MET A 82 20.008 -8.204 12.006 1.00 0.00 C ATOM 0 H MET A 82 17.911 -4.570 9.201 1.00 0.00 H new ATOM 0 HA MET A 82 18.876 -3.131 11.495 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.001 -5.484 12.433 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.417 -4.979 11.879 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.470 -6.377 10.003 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.220 -6.465 9.982 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.392 -9.121 11.558 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.581 -7.353 11.638 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.101 -8.263 13.090 1.00 0.00 H new ATOM 1181 N ASP A 83 20.986 -4.607 9.534 1.00 0.00 N ATOM 1182 CA ASP A 83 22.402 -4.832 9.271 1.00 0.00 C ATOM 1183 C ASP A 83 23.151 -3.509 9.159 1.00 0.00 C ATOM 1184 O ASP A 83 24.178 -3.308 9.807 1.00 0.00 O ATOM 1185 CB ASP A 83 22.581 -5.644 7.987 1.00 0.00 C ATOM 1186 CG ASP A 83 22.638 -7.136 8.250 1.00 0.00 C ATOM 1187 OD1 ASP A 83 22.096 -7.578 9.285 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.225 -7.863 7.421 1.00 0.00 O ATOM 0 H ASP A 83 20.376 -4.781 8.735 1.00 0.00 H new ATOM 0 HA ASP A 83 22.817 -5.394 10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.757 -5.429 7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.497 -5.331 7.487 1.00 0.00 H new ATOM 1193 N GLY A 84 22.631 -2.608 8.332 1.00 0.00 N ATOM 1194 CA GLY A 84 23.263 -1.315 8.150 1.00 0.00 C ATOM 1195 C GLY A 84 23.034 -0.746 6.764 1.00 0.00 C ATOM 1196 O GLY A 84 22.834 -1.492 5.805 1.00 0.00 O ATOM 0 H GLY A 84 21.782 -2.751 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.877 -0.618 8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.334 -1.410 8.328 1.00 0.00 H new ATOM 1200 N ASP A 85 23.060 0.578 6.659 1.00 0.00 N ATOM 1201 CA ASP A 85 22.853 1.250 5.381 1.00 0.00 C ATOM 1202 C ASP A 85 21.444 0.984 4.850 1.00 0.00 C ATOM 1203 O ASP A 85 21.043 -0.169 4.692 1.00 0.00 O ATOM 1204 CB ASP A 85 23.891 0.783 4.359 1.00 0.00 C ATOM 1205 CG ASP A 85 24.138 1.813 3.274 1.00 0.00 C ATOM 1206 OD1 ASP A 85 23.249 1.997 2.416 1.00 0.00 O ATOM 1207 OD2 ASP A 85 25.221 2.436 3.282 1.00 0.00 O ATOM 0 H ASP A 85 23.223 1.208 7.444 1.00 0.00 H new ATOM 0 HA ASP A 85 22.968 2.322 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.829 0.566 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.554 -0.148 3.903 1.00 0.00 H new ATOM 1212 N PRO A 86 20.671 2.048 4.566 1.00 0.00 N ATOM 1213 CA PRO A 86 19.304 1.911 4.052 1.00 0.00 C ATOM 1214 C PRO A 86 19.274 1.352 2.633 1.00 0.00 C ATOM 1215 O PRO A 86 20.163 1.628 1.828 1.00 0.00 O ATOM 1216 CB PRO A 86 18.767 3.344 4.074 1.00 0.00 C ATOM 1217 CG PRO A 86 19.979 4.205 3.994 1.00 0.00 C ATOM 1218 CD PRO A 86 21.063 3.461 4.721 1.00 0.00 C ATOM 0 HA PRO A 86 18.714 1.214 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.095 3.528 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.201 3.541 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.260 4.389 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.798 5.177 4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.044 3.656 4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.115 3.751 5.770 1.00 0.00 H new ATOM 1226 N VAL A 87 18.246 0.565 2.334 1.00 0.00 N ATOM 1227 CA VAL A 87 18.101 -0.032 1.012 1.00 0.00 C ATOM 1228 C VAL A 87 16.755 0.325 0.392 1.00 0.00 C ATOM 1229 O VAL A 87 15.762 0.498 1.098 1.00 0.00 O ATOM 1230 CB VAL A 87 18.236 -1.565 1.071 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.638 -1.963 1.503 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.193 -2.158 2.007 1.00 0.00 C ATOM 0 H VAL A 87 17.502 0.326 2.989 1.00 0.00 H new ATOM 0 HA VAL A 87 18.902 0.373 0.393 1.00 0.00 H new ATOM 0 HB VAL A 87 18.063 -1.964 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.713 -3.050 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.363 -1.572 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.844 -1.553 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.304 -3.242 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.331 -1.752 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.196 -1.905 1.647 1.00 0.00 H new ATOM 1242 N GLU A 88 16.730 0.434 -0.932 1.00 0.00 N ATOM 1243 CA GLU A 88 15.506 0.771 -1.647 1.00 0.00 C ATOM 1244 C GLU A 88 14.503 -0.376 -1.578 1.00 0.00 C ATOM 1245 O GLU A 88 14.730 -1.447 -2.141 1.00 0.00 O ATOM 1246 CB GLU A 88 15.819 1.107 -3.108 1.00 0.00 C ATOM 1247 CG GLU A 88 15.260 2.448 -3.556 1.00 0.00 C ATOM 1248 CD GLU A 88 15.417 2.675 -5.047 1.00 0.00 C ATOM 1249 OE1 GLU A 88 14.835 1.897 -5.830 1.00 0.00 O ATOM 1250 OE2 GLU A 88 16.122 3.633 -5.430 1.00 0.00 O ATOM 0 H GLU A 88 17.544 0.294 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 88 15.063 1.645 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.900 1.108 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.415 0.322 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.204 2.504 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.766 3.248 -3.015 1.00 0.00 H new ATOM 1257 N ALA A 89 13.394 -0.144 -0.885 1.00 0.00 N ATOM 1258 CA ALA A 89 12.356 -1.157 -0.743 1.00 0.00 C ATOM 1259 C ALA A 89 11.150 -0.829 -1.616 1.00 0.00 C ATOM 1260 O ALA A 89 10.764 0.333 -1.746 1.00 0.00 O ATOM 1261 CB ALA A 89 11.936 -1.284 0.714 1.00 0.00 C ATOM 0 H ALA A 89 13.191 0.737 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 89 12.765 -2.111 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.160 -2.044 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.797 -1.571 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.549 -0.328 1.066 1.00 0.00 H new ATOM 1267 N ASN A 90 10.559 -1.858 -2.213 1.00 0.00 N ATOM 1268 CA ASN A 90 9.396 -1.675 -3.074 1.00 0.00 C ATOM 1269 C ASN A 90 8.362 -2.771 -2.834 1.00 0.00 C ATOM 1270 O ASN A 90 8.657 -3.958 -2.972 1.00 0.00 O ATOM 1271 CB ASN A 90 9.821 -1.656 -4.547 1.00 0.00 C ATOM 1272 CG ASN A 90 10.139 -3.039 -5.089 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.468 -3.531 -5.996 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.166 -3.671 -4.535 1.00 0.00 N ATOM 0 H ASN A 90 10.865 -2.826 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 90 8.939 -0.717 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.024 -1.212 -5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.697 -1.017 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.427 -4.602 -4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.695 -3.225 -3.785 1.00 0.00 H new ATOM 1281 N VAL A 91 7.149 -2.365 -2.474 1.00 0.00 N ATOM 1282 CA VAL A 91 6.075 -3.315 -2.218 1.00 0.00 C ATOM 1283 C VAL A 91 4.799 -2.916 -2.952 1.00 0.00 C ATOM 1284 O VAL A 91 4.412 -1.747 -2.954 1.00 0.00 O ATOM 1285 CB VAL A 91 5.774 -3.436 -0.711 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.248 -2.119 -0.157 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.785 -4.563 -0.453 1.00 0.00 C ATOM 0 H VAL A 91 6.886 -1.387 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 91 6.416 -4.282 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 91 6.704 -3.672 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.043 -2.228 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.994 -1.338 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.330 -1.846 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.585 -4.634 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.855 -4.360 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.206 -5.504 -0.806 1.00 0.00 H new ATOM 1297 N ASN A 92 4.151 -3.895 -3.570 1.00 0.00 N ATOM 1298 CA ASN A 92 2.919 -3.651 -4.305 1.00 0.00 C ATOM 1299 C ASN A 92 1.708 -3.842 -3.393 1.00 0.00 C ATOM 1300 O ASN A 92 1.379 -4.963 -3.012 1.00 0.00 O ATOM 1301 CB ASN A 92 2.847 -4.587 -5.519 1.00 0.00 C ATOM 1302 CG ASN A 92 1.429 -4.873 -5.975 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.545 -4.022 -5.870 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.207 -6.079 -6.483 1.00 0.00 N ATOM 0 H ASN A 92 4.460 -4.867 -3.576 1.00 0.00 H new ATOM 0 HA ASN A 92 2.911 -2.620 -4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.404 -4.143 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.338 -5.528 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.273 -6.332 -6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.970 -6.752 -6.551 1.00 0.00 H new ATOM 1311 N LEU A 93 1.050 -2.738 -3.046 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.124 -2.785 -2.178 1.00 0.00 C ATOM 1313 C LEU A 93 -1.117 -3.838 -2.658 1.00 0.00 C ATOM 1314 O LEU A 93 -1.726 -4.545 -1.857 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.801 -1.414 -2.126 1.00 0.00 C ATOM 1316 CG LEU A 93 0.104 -0.260 -1.692 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.668 1.050 -1.682 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.702 -0.540 -0.322 1.00 0.00 C ATOM 0 H LEU A 93 1.310 -1.800 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 93 0.208 -3.057 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.204 -1.188 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.647 -1.469 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 93 0.918 -0.171 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.007 1.859 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.048 1.256 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.503 0.975 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.343 0.291 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.099 -0.656 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.291 -1.456 -0.362 1.00 0.00 H new ATOM 1330 N SER A 94 -1.266 -3.942 -3.974 1.00 0.00 N ATOM 1331 CA SER A 94 -2.177 -4.914 -4.571 1.00 0.00 C ATOM 1332 C SER A 94 -1.793 -6.344 -4.187 1.00 0.00 C ATOM 1333 O SER A 94 -2.565 -7.277 -4.393 1.00 0.00 O ATOM 1334 CB SER A 94 -2.195 -4.759 -6.095 1.00 0.00 C ATOM 1335 OG SER A 94 -1.305 -5.670 -6.718 1.00 0.00 O ATOM 0 H SER A 94 -0.767 -3.364 -4.650 1.00 0.00 H new ATOM 0 HA SER A 94 -3.177 -4.720 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.206 -4.924 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.919 -3.739 -6.362 1.00 0.00 H new ATOM 0 HG SER A 94 -1.719 -6.027 -7.531 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.593 -6.515 -3.641 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.119 -7.835 -3.244 1.00 0.00 C ATOM 1343 C GLU A 95 -1.021 -8.454 -2.180 1.00 0.00 C ATOM 1344 O GLU A 95 -1.396 -9.623 -2.276 1.00 0.00 O ATOM 1345 CB GLU A 95 1.312 -7.749 -2.712 1.00 0.00 C ATOM 1346 CG GLU A 95 2.357 -7.566 -3.801 1.00 0.00 C ATOM 1347 CD GLU A 95 3.433 -8.634 -3.764 1.00 0.00 C ATOM 1348 OE1 GLU A 95 4.056 -8.813 -2.696 1.00 0.00 O ATOM 1349 OE2 GLU A 95 3.653 -9.292 -4.803 1.00 0.00 O ATOM 0 H GLU A 95 0.067 -5.758 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.141 -8.472 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.381 -6.917 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.538 -8.657 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.868 -7.582 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.820 -6.585 -3.693 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.357 -7.671 -1.158 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.203 -8.158 -0.074 1.00 0.00 C ATOM 1358 C ARG A 96 -3.207 -7.099 0.368 1.00 0.00 C ATOM 1359 O ARG A 96 -3.480 -6.952 1.560 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.341 -8.575 1.119 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.385 -9.715 0.815 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.917 -11.039 1.335 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.471 -11.309 2.700 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.751 -12.428 3.365 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.471 -13.385 2.793 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.308 -12.591 4.604 1.00 0.00 N ATOM 0 H ARG A 96 -1.058 -6.701 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.756 -9.020 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.767 -7.713 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.993 -8.869 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.227 -9.782 -0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.585 -9.508 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.007 -11.029 1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.587 -11.845 0.680 1.00 0.00 H new ATOM 0 HE ARG A 96 0.088 -10.598 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.813 -13.265 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.683 -14.240 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.247 -11.859 5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.522 -13.448 5.114 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.763 -6.367 -0.590 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.741 -5.334 -0.275 1.00 0.00 C ATOM 1382 C ILE A 97 -6.031 -5.562 -1.053 1.00 0.00 C ATOM 1383 O ILE A 97 -6.038 -5.529 -2.280 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.184 -3.928 -0.588 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -3.017 -3.604 0.348 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.275 -2.871 -0.467 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.425 -3.456 1.799 1.00 0.00 C ATOM 0 H ILE A 97 -3.555 -6.468 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.954 -5.393 0.792 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.822 -3.922 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.269 -4.393 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.543 -2.680 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.857 -1.890 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.077 -3.094 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.672 -2.872 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.547 -3.227 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.150 -2.648 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.872 -4.387 2.148 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.121 -5.788 -0.332 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.397 -6.020 -0.981 1.00 0.00 C ATOM 1401 C GLY A 98 -9.431 -4.968 -0.631 1.00 0.00 C ATOM 1402 O GLY A 98 -9.130 -3.998 0.065 1.00 0.00 O ATOM 0 H GLY A 98 -7.145 -5.815 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.253 -6.037 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.773 -7.002 -0.694 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.654 -5.164 -1.112 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.741 -4.228 -0.846 1.00 0.00 C ATOM 1408 C ASN A 99 -13.019 -4.972 -0.474 1.00 0.00 C ATOM 1409 O ASN A 99 -13.701 -5.524 -1.338 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.992 -3.341 -2.067 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.258 -4.147 -3.323 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.481 -5.032 -3.684 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.362 -3.845 -3.997 1.00 0.00 N ATOM 0 H ASN A 99 -10.918 -5.963 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.447 -3.600 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.843 -2.689 -1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.128 -2.697 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.594 -4.354 -4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.978 -3.104 -3.662 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.338 -4.983 0.816 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.534 -5.660 1.301 1.00 0.00 C ATOM 1422 C ASP A 100 -15.703 -4.686 1.411 1.00 0.00 C ATOM 1423 O ASP A 100 -15.659 -3.733 2.188 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.263 -6.305 2.661 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.450 -7.100 3.172 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.452 -6.475 3.578 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.376 -8.346 3.167 1.00 0.00 O ATOM 0 H ASP A 100 -12.785 -4.531 1.544 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.798 -6.437 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.396 -6.962 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.011 -5.529 3.384 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.749 -4.933 0.628 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.932 -4.079 0.637 1.00 0.00 C ATOM 1434 C CYS A 101 -17.559 -2.626 0.357 1.00 0.00 C ATOM 1435 O CYS A 101 -18.215 -1.702 0.840 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.651 -4.182 1.983 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.382 -3.660 1.938 1.00 0.00 S ATOM 0 H CYS A 101 -16.801 -5.718 -0.021 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.601 -4.421 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.603 -5.214 2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.118 -3.574 2.715 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.904 -3.785 3.122 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.502 -2.431 -0.424 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.060 -1.089 -0.752 1.00 0.00 C ATOM 1445 C GLY A 102 -15.039 -0.550 0.234 1.00 0.00 C ATOM 1446 O GLY A 102 -14.389 0.461 -0.029 1.00 0.00 O ATOM 0 H GLY A 102 -15.944 -3.179 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.628 -1.088 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.922 -0.423 -0.776 1.00 0.00 H new ATOM 1450 N THR A 103 -14.899 -1.224 1.373 1.00 0.00 N ATOM 1451 CA THR A 103 -13.951 -0.802 2.397 1.00 0.00 C ATOM 1452 C THR A 103 -12.569 -1.393 2.140 1.00 0.00 C ATOM 1453 O THR A 103 -12.443 -2.526 1.675 1.00 0.00 O ATOM 1454 CB THR A 103 -14.447 -1.219 3.782 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.749 -0.717 4.022 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.555 -0.739 4.907 1.00 0.00 C ATOM 0 H THR A 103 -15.429 -2.063 1.608 1.00 0.00 H new ATOM 0 HA THR A 103 -13.873 0.284 2.357 1.00 0.00 H new ATOM 0 HB THR A 103 -14.440 -2.309 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.048 -0.996 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.964 -1.069 5.862 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.554 -1.152 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.503 0.350 4.891 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.534 -0.618 2.447 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.160 -1.063 2.252 1.00 0.00 C ATOM 1466 C LEU A 104 -9.778 -2.109 3.295 1.00 0.00 C ATOM 1467 O LEU A 104 -9.864 -1.861 4.498 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.202 0.130 2.325 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.686 0.630 0.975 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.893 -0.459 0.271 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.842 1.099 0.105 1.00 0.00 C ATOM 0 H LEU A 104 -11.621 0.322 2.832 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.084 -1.518 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.708 0.952 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.348 -0.147 2.943 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.023 1.477 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.534 -0.085 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.043 -0.748 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.533 -1.326 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.457 1.452 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.530 0.271 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.368 1.911 0.606 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.360 -3.282 2.828 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.970 -4.364 3.724 1.00 0.00 C ATOM 1485 C ILE A 105 -7.601 -4.924 3.354 1.00 0.00 C ATOM 1486 O ILE A 105 -7.049 -4.601 2.303 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.002 -5.509 3.704 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.139 -6.081 2.292 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.348 -5.016 4.214 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.269 -7.588 2.261 1.00 0.00 C ATOM 0 H ILE A 105 -9.283 -3.506 1.836 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.925 -3.940 4.727 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.652 -6.304 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.013 -5.639 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.270 -5.787 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.067 -5.835 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.239 -4.653 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.704 -4.206 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.362 -7.924 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.384 -8.039 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.154 -7.888 2.822 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.059 -5.767 4.228 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.755 -6.376 4.001 1.00 0.00 C ATOM 1504 C PHE A 106 -5.869 -7.900 3.994 1.00 0.00 C ATOM 1505 O PHE A 106 -6.579 -8.482 4.814 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.767 -5.913 5.078 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.631 -6.866 5.318 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -2.454 -6.762 4.596 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -3.745 -7.868 6.267 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -1.410 -7.640 4.816 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -2.706 -8.750 6.492 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.536 -8.636 5.766 1.00 0.00 C ATOM 0 H PHE A 106 -7.505 -6.044 5.102 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.384 -6.059 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.360 -4.944 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.308 -5.766 6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.351 -5.986 3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.657 -7.961 6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.497 -7.548 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.808 -9.528 7.234 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.722 -9.324 5.940 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.166 -8.538 3.064 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.189 -9.991 2.953 1.00 0.00 C ATOM 1524 C LEU A 107 -4.502 -10.639 4.151 1.00 0.00 C ATOM 1525 O LEU A 107 -3.274 -10.677 4.230 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.511 -10.434 1.655 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.467 -10.793 0.517 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -5.787 -9.564 -0.321 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.873 -11.893 -0.350 1.00 0.00 C ATOM 0 H LEU A 107 -4.574 -8.072 2.377 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.230 -10.315 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.851 -9.635 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.882 -11.299 1.868 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.396 -11.162 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.469 -9.840 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.255 -8.807 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.867 -9.164 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.566 -12.136 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.929 -11.552 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.697 -12.780 0.258 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.302 -11.146 5.083 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.772 -11.792 6.278 1.00 0.00 C ATOM 1543 C ALA A 108 -5.274 -13.227 6.395 1.00 0.00 C ATOM 1544 O ALA A 108 -5.811 -13.748 5.395 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.150 -10.996 7.518 1.00 0.00 C ATOM 1546 OXT ALA A 108 -5.125 -13.818 7.485 1.00 0.00 O ATOM 0 H ALA A 108 -6.321 -11.122 5.034 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.686 -11.821 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.748 -11.489 8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.737 -9.990 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.236 -10.938 7.596 1.00 0.00 H new TER 1552 ALA A 108