USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 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 60 SER OG : rot 180:sc= -0.949 USER MOD Set 1.2: A 61 ASN :FLIP amide:sc= -1.6 F(o=-3.8,f=-2.5) USER MOD Set 2.1: A 8 SER OG : rot 109:sc= -1.91! USER MOD Set 2.2: A 23 CYS SG : rot 70:sc= -0.497 USER MOD Set 2.3: A 33 SER OG : rot -116:sc= 1.29 USER MOD Set 3.1: A 5 HIS :FLIP no HE2:sc= -2.88 F(o=-9.6!,f=-8.9) USER MOD Set 3.2: A 92 ASN : amide:sc= -5.05 K(o=-8.9,f=-22!) USER MOD Set 3.3: A 94 SER OG : rot 81:sc= -0.973 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= -1.2! (180deg=-3.17!) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0478 F(o=-0.7,f=-0.048) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.57 F(o=-4.2!,f=-1.6) USER MOD Single : A 10 ASN :FLIP amide:sc= -6.26! C(o=-9.5!,f=-6.3!) USER MOD Single : A 17 HIS : no HE2:sc= -6.75! C(o=-6.8!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -8.47! C(o=-8.5!,f=-12!) USER MOD Single : A 25 ASN : amide:sc= -2.9 K(o=-2.9,f=-4.1!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 83:sc= 0.588 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.25! C(o=-5.2!,f=-6.7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.438 F(o=-1.7,f=-0.44) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.405 X(o=-0.41,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.96 X(o=-2,f=-2.4!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.846 X(o=-0.85,f=-0.38) USER MOD Single : A 99 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.8!) USER MOD Single : A 101 CYS SG : rot 180:sc=-0.00127 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.569 -12.224 -3.859 1.00 0.00 N ATOM 2 CA MET A 1 -4.704 -11.090 -4.277 1.00 0.00 C ATOM 3 C MET A 1 -5.393 -9.752 -4.032 1.00 0.00 C ATOM 4 O MET A 1 -6.593 -9.701 -3.761 1.00 0.00 O ATOM 5 CB MET A 1 -4.374 -11.251 -5.762 1.00 0.00 C ATOM 6 CG MET A 1 -3.391 -12.374 -6.050 1.00 0.00 C ATOM 7 SD MET A 1 -3.766 -13.253 -7.579 1.00 0.00 S ATOM 8 CE MET A 1 -2.558 -12.534 -8.688 1.00 0.00 C ATOM 0 H1 MET A 1 -5.117 -12.734 -3.074 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.493 -11.860 -3.549 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.704 -12.872 -4.661 1.00 0.00 H new ATOM 0 HA MET A 1 -3.789 -11.100 -3.685 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.296 -11.437 -6.312 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.962 -10.314 -6.138 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.383 -11.963 -6.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.398 -13.079 -5.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.664 -12.977 -9.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.719 -11.458 -8.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.555 -12.728 -8.309 1.00 0.00 H new ATOM 20 N GLY A 2 -4.627 -8.671 -4.131 1.00 0.00 N ATOM 21 CA GLY A 2 -5.183 -7.348 -3.918 1.00 0.00 C ATOM 22 C GLY A 2 -5.720 -6.736 -5.190 1.00 0.00 C ATOM 23 O GLY A 2 -5.268 -5.680 -5.631 1.00 0.00 O ATOM 0 H GLY A 2 -3.632 -8.687 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.984 -7.408 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.414 -6.697 -3.501 1.00 0.00 H new ATOM 27 N ASN A 3 -6.705 -7.405 -5.761 1.00 0.00 N ATOM 28 CA ASN A 3 -7.358 -6.953 -6.976 1.00 0.00 C ATOM 29 C ASN A 3 -8.017 -5.594 -6.766 1.00 0.00 C ATOM 30 O ASN A 3 -8.404 -4.931 -7.726 1.00 0.00 O ATOM 31 CB ASN A 3 -8.397 -7.977 -7.429 1.00 0.00 C ATOM 32 CG ASN A 3 -7.808 -9.034 -8.344 1.00 0.00 C ATOM 33 OD1 ASN A 3 -7.119 -8.595 -9.391 1.00 0.00 O flip ATOM 34 ND2 ASN A 3 -7.969 -10.232 -8.111 1.00 0.00 N flip ATOM 0 H ASN A 3 -7.076 -8.281 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.600 -6.849 -7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.833 -8.460 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.207 -7.464 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.506 -10.525 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.566 -10.931 -8.734 1.00 0.00 H new ATOM 41 N PHE A 4 -8.175 -5.195 -5.501 1.00 0.00 N ATOM 42 CA PHE A 4 -8.824 -3.931 -5.176 1.00 0.00 C ATOM 43 C PHE A 4 -8.303 -2.795 -6.055 1.00 0.00 C ATOM 44 O PHE A 4 -9.045 -1.876 -6.397 1.00 0.00 O ATOM 45 CB PHE A 4 -8.605 -3.587 -3.696 1.00 0.00 C ATOM 46 CG PHE A 4 -7.387 -2.741 -3.436 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.117 -3.230 -3.700 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.514 -1.454 -2.936 1.00 0.00 C ATOM 49 CE1 PHE A 4 -4.998 -2.453 -3.468 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.398 -0.672 -2.704 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.139 -1.172 -2.970 1.00 0.00 C ATOM 0 H PHE A 4 -7.862 -5.730 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.891 -4.046 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.485 -3.063 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.519 -4.513 -3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.001 -4.230 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.496 -1.058 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.014 -2.847 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.511 0.329 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.266 -0.563 -2.789 1.00 0.00 H new ATOM 61 N HIS A 5 -7.031 -2.868 -6.424 1.00 0.00 N ATOM 62 CA HIS A 5 -6.431 -1.845 -7.265 1.00 0.00 C ATOM 63 C HIS A 5 -7.130 -1.781 -8.620 1.00 0.00 C ATOM 64 O HIS A 5 -7.267 -0.709 -9.210 1.00 0.00 O ATOM 65 CB HIS A 5 -4.934 -2.120 -7.445 1.00 0.00 C ATOM 66 CG HIS A 5 -4.607 -3.001 -8.614 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.662 -4.347 -8.756 1.00 0.00 N flip ATOM 68 CD2 HIS A 5 -4.163 -2.509 -9.824 1.00 0.00 C flip ATOM 69 CE1 HIS A 5 -4.256 -4.638 -10.035 1.00 0.00 C flip ATOM 70 NE2 HIS A 5 -3.961 -3.512 -10.659 1.00 0.00 N flip ATOM 0 H HIS A 5 -6.399 -3.622 -6.155 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.553 -0.879 -6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.413 -1.170 -7.564 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.549 -2.583 -6.536 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.951 -5.019 -8.045 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.005 -1.465 -10.053 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.189 -5.628 -10.462 1.00 0.00 H new ATOM 79 N GLU A 6 -7.567 -2.937 -9.108 1.00 0.00 N ATOM 80 CA GLU A 6 -8.248 -3.011 -10.393 1.00 0.00 C ATOM 81 C GLU A 6 -9.725 -2.644 -10.256 1.00 0.00 C ATOM 82 O GLU A 6 -10.365 -2.242 -11.228 1.00 0.00 O ATOM 83 CB GLU A 6 -8.098 -4.414 -10.989 1.00 0.00 C ATOM 84 CG GLU A 6 -8.983 -5.467 -10.336 1.00 0.00 C ATOM 85 CD GLU A 6 -9.878 -6.178 -11.334 1.00 0.00 C ATOM 86 OE1 GLU A 6 -10.589 -5.486 -12.092 1.00 0.00 O ATOM 87 OE2 GLU A 6 -9.867 -7.427 -11.356 1.00 0.00 O ATOM 0 H GLU A 6 -7.461 -3.834 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.785 -2.289 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.329 -4.371 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.057 -4.725 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.355 -6.200 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.601 -4.994 -9.572 1.00 0.00 H new ATOM 94 N SER A 7 -10.260 -2.787 -9.047 1.00 0.00 N ATOM 95 CA SER A 7 -11.661 -2.472 -8.791 1.00 0.00 C ATOM 96 C SER A 7 -11.804 -1.225 -7.918 1.00 0.00 C ATOM 97 O SER A 7 -12.879 -0.957 -7.383 1.00 0.00 O ATOM 98 CB SER A 7 -12.354 -3.657 -8.118 1.00 0.00 C ATOM 99 OG SER A 7 -12.802 -4.598 -9.078 1.00 0.00 O ATOM 0 H SER A 7 -9.746 -3.118 -8.231 1.00 0.00 H new ATOM 0 HA SER A 7 -12.136 -2.270 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.665 -4.140 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.200 -3.301 -7.530 1.00 0.00 H new ATOM 0 HG SER A 7 -13.240 -5.347 -8.622 1.00 0.00 H new ATOM 105 N SER A 8 -10.721 -0.463 -7.778 1.00 0.00 N ATOM 106 CA SER A 8 -10.748 0.751 -6.971 1.00 0.00 C ATOM 107 C SER A 8 -10.301 1.957 -7.787 1.00 0.00 C ATOM 108 O SER A 8 -9.559 1.820 -8.761 1.00 0.00 O ATOM 109 CB SER A 8 -9.849 0.601 -5.742 1.00 0.00 C ATOM 110 OG SER A 8 -9.849 1.783 -4.961 1.00 0.00 O ATOM 0 H SER A 8 -9.820 -0.665 -8.211 1.00 0.00 H new ATOM 0 HA SER A 8 -11.776 0.910 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.193 -0.238 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.832 0.371 -6.058 1.00 0.00 H new ATOM 0 HG SER A 8 -10.342 1.625 -4.129 1.00 0.00 H new ATOM 116 N ASN A 9 -10.750 3.138 -7.381 1.00 0.00 N ATOM 117 CA ASN A 9 -10.394 4.367 -8.065 1.00 0.00 C ATOM 118 C ASN A 9 -9.678 5.316 -7.109 1.00 0.00 C ATOM 119 O ASN A 9 -9.777 5.177 -5.890 1.00 0.00 O ATOM 120 CB ASN A 9 -11.643 5.027 -8.649 1.00 0.00 C ATOM 121 CG ASN A 9 -11.351 6.377 -9.266 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.340 7.407 -8.435 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -11.138 6.492 -10.473 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.364 3.267 -6.577 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.715 4.130 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.076 4.372 -9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.389 5.144 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.157 5.669 -11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.943 7.411 -10.871 1.00 0.00 H new ATOM 130 N ASN A 10 -8.945 6.266 -7.671 1.00 0.00 N ATOM 131 CA ASN A 10 -8.190 7.232 -6.877 1.00 0.00 C ATOM 132 C ASN A 10 -7.233 6.509 -5.922 1.00 0.00 C ATOM 133 O ASN A 10 -7.306 6.650 -4.706 1.00 0.00 O ATOM 134 CB ASN A 10 -9.151 8.199 -6.144 1.00 0.00 C ATOM 135 CG ASN A 10 -9.406 7.877 -4.681 1.00 0.00 C ATOM 136 OD1 ASN A 10 -10.491 7.163 -4.415 1.00 0.00 O flip ATOM 137 ND2 ASN A 10 -8.649 8.287 -3.800 1.00 0.00 N flip ATOM 0 H ASN A 10 -8.855 6.391 -8.679 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.575 7.841 -7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.745 9.208 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.106 8.204 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.825 8.833 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.847 8.080 -2.821 1.00 0.00 H new ATOM 144 N ILE A 11 -6.323 5.729 -6.496 1.00 0.00 N ATOM 145 CA ILE A 11 -5.348 4.986 -5.705 1.00 0.00 C ATOM 146 C ILE A 11 -4.053 5.779 -5.565 1.00 0.00 C ATOM 147 O ILE A 11 -3.377 6.060 -6.555 1.00 0.00 O ATOM 148 CB ILE A 11 -5.022 3.606 -6.323 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.193 3.085 -7.163 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.670 2.605 -5.231 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.435 2.790 -6.352 1.00 0.00 C ATOM 0 H ILE A 11 -6.240 5.595 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.799 4.828 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.161 3.728 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.436 3.821 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.883 2.177 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.443 1.639 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.800 2.960 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.514 2.498 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.222 2.425 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.209 2.031 -5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.770 3.701 -5.856 1.00 0.00 H new ATOM 163 N TRP A 12 -3.713 6.140 -4.333 1.00 0.00 N ATOM 164 CA TRP A 12 -2.498 6.904 -4.070 1.00 0.00 C ATOM 165 C TRP A 12 -2.105 6.813 -2.600 1.00 0.00 C ATOM 166 O TRP A 12 -2.716 6.073 -1.828 1.00 0.00 O ATOM 167 CB TRP A 12 -2.695 8.368 -4.469 1.00 0.00 C ATOM 168 CG TRP A 12 -3.791 9.051 -3.709 1.00 0.00 C ATOM 169 CD1 TRP A 12 -5.118 8.731 -3.720 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.655 10.171 -2.827 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.816 9.584 -2.900 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.940 10.477 -2.340 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.571 10.945 -2.400 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -5.170 11.523 -1.450 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.801 11.983 -1.516 1.00 0.00 C ATOM 176 CH2 TRP A 12 -4.091 12.263 -1.049 1.00 0.00 C ATOM 0 H TRP A 12 -4.260 5.917 -3.502 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.693 6.477 -4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.762 8.909 -4.310 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.916 8.419 -5.535 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.555 7.925 -4.290 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.822 9.557 -2.735 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.572 10.736 -2.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.164 11.742 -1.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.972 12.588 -1.180 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.237 13.080 -0.358 1.00 0.00 H new ATOM 187 N LEU A 13 -1.079 7.567 -2.218 1.00 0.00 N ATOM 188 CA LEU A 13 -0.605 7.568 -0.840 1.00 0.00 C ATOM 189 C LEU A 13 -0.290 8.983 -0.367 1.00 0.00 C ATOM 190 O LEU A 13 0.266 9.789 -1.113 1.00 0.00 O ATOM 191 CB LEU A 13 0.637 6.685 -0.707 1.00 0.00 C ATOM 192 CG LEU A 13 0.798 5.992 0.647 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.427 5.149 0.964 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.055 5.134 0.660 1.00 0.00 C ATOM 0 H LEU A 13 -0.561 8.184 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.400 7.167 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.608 5.923 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.520 7.297 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 13 0.896 6.758 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.294 4.664 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.310 5.788 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.556 4.390 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.154 4.648 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.986 4.376 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.927 5.763 0.478 1.00 0.00 H new ATOM 206 N GLU A 14 -0.650 9.277 0.878 1.00 0.00 N ATOM 207 CA GLU A 14 -0.406 10.593 1.457 1.00 0.00 C ATOM 208 C GLU A 14 0.698 10.521 2.507 1.00 0.00 C ATOM 209 O GLU A 14 0.581 9.801 3.497 1.00 0.00 O ATOM 210 CB GLU A 14 -1.692 11.148 2.079 1.00 0.00 C ATOM 211 CG GLU A 14 -1.485 12.421 2.887 1.00 0.00 C ATOM 212 CD GLU A 14 -2.748 12.876 3.591 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.846 12.447 3.178 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.640 13.661 4.556 1.00 0.00 O ATOM 0 H GLU A 14 -1.113 8.620 1.506 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.083 11.264 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.412 11.346 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.130 10.387 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.701 12.255 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.136 13.214 2.226 1.00 0.00 H new ATOM 221 N ASP A 15 1.770 11.271 2.279 1.00 0.00 N ATOM 222 CA ASP A 15 2.901 11.295 3.200 1.00 0.00 C ATOM 223 C ASP A 15 3.526 9.908 3.347 1.00 0.00 C ATOM 224 O ASP A 15 4.252 9.644 4.305 1.00 0.00 O ATOM 225 CB ASP A 15 2.459 11.822 4.568 1.00 0.00 C ATOM 226 CG ASP A 15 3.161 13.112 4.945 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.677 14.191 4.542 1.00 0.00 O ATOM 228 OD2 ASP A 15 4.194 13.044 5.644 1.00 0.00 O ATOM 0 H ASP A 15 1.880 11.872 1.462 1.00 0.00 H new ATOM 0 HA ASP A 15 3.656 11.964 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.382 11.987 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.660 11.067 5.328 1.00 0.00 H new ATOM 233 N GLY A 16 3.245 9.027 2.390 1.00 0.00 N ATOM 234 CA GLY A 16 3.794 7.685 2.429 1.00 0.00 C ATOM 235 C GLY A 16 3.391 6.912 3.671 1.00 0.00 C ATOM 236 O GLY A 16 4.247 6.420 4.406 1.00 0.00 O ATOM 0 H GLY A 16 2.646 9.221 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.464 7.138 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.881 7.742 2.381 1.00 0.00 H new ATOM 240 N HIS A 17 2.086 6.792 3.900 1.00 0.00 N ATOM 241 CA HIS A 17 1.578 6.059 5.056 1.00 0.00 C ATOM 242 C HIS A 17 0.051 5.994 5.048 1.00 0.00 C ATOM 243 O HIS A 17 -0.538 5.019 5.515 1.00 0.00 O ATOM 244 CB HIS A 17 2.084 6.685 6.362 1.00 0.00 C ATOM 245 CG HIS A 17 1.439 7.990 6.714 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.314 9.037 5.826 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.887 8.418 7.875 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.716 10.052 6.425 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.446 9.701 7.668 1.00 0.00 N ATOM 0 H HIS A 17 1.363 7.192 3.302 1.00 0.00 H new ATOM 0 HA HIS A 17 1.956 5.039 4.992 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.918 5.980 7.177 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.161 6.835 6.285 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.633 9.029 4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.809 7.854 8.793 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.487 11.006 5.974 1.00 0.00 H new ATOM 258 N ILE A 18 -0.588 7.030 4.510 1.00 0.00 N ATOM 259 CA ILE A 18 -2.045 7.074 4.440 1.00 0.00 C ATOM 260 C ILE A 18 -2.530 6.801 3.018 1.00 0.00 C ATOM 261 O ILE A 18 -2.255 7.571 2.098 1.00 0.00 O ATOM 262 CB ILE A 18 -2.592 8.438 4.914 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.231 8.668 6.383 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.101 8.513 4.715 1.00 0.00 C ATOM 265 CD1 ILE A 18 -2.982 7.768 7.342 1.00 0.00 C ATOM 0 H ILE A 18 -0.121 7.847 4.118 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.422 6.296 5.105 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.133 9.223 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.160 8.511 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.434 9.708 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.465 9.482 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.335 8.388 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.583 7.722 5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.674 7.988 8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.053 7.941 7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.760 6.726 7.113 1.00 0.00 H new ATOM 277 N LEU A 19 -3.251 5.697 2.847 1.00 0.00 N ATOM 278 CA LEU A 19 -3.773 5.319 1.538 1.00 0.00 C ATOM 279 C LEU A 19 -5.242 5.701 1.403 1.00 0.00 C ATOM 280 O LEU A 19 -6.011 5.602 2.359 1.00 0.00 O ATOM 281 CB LEU A 19 -3.606 3.815 1.314 1.00 0.00 C ATOM 282 CG LEU A 19 -3.839 3.346 -0.123 1.00 0.00 C ATOM 283 CD1 LEU A 19 -2.929 2.175 -0.457 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.298 2.966 -0.327 1.00 0.00 C ATOM 0 H LEU A 19 -3.487 5.049 3.598 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.205 5.860 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.599 3.528 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.298 3.286 1.970 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.599 4.168 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.109 1.855 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.888 2.481 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.136 1.348 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.447 2.634 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.563 2.159 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.930 3.832 -0.129 1.00 0.00 H new ATOM 296 N HIS A 20 -5.625 6.134 0.207 1.00 0.00 N ATOM 297 CA HIS A 20 -7.003 6.529 -0.061 1.00 0.00 C ATOM 298 C HIS A 20 -7.449 6.011 -1.424 1.00 0.00 C ATOM 299 O HIS A 20 -6.719 6.122 -2.408 1.00 0.00 O ATOM 300 CB HIS A 20 -7.161 8.055 -0.007 1.00 0.00 C ATOM 301 CG HIS A 20 -5.967 8.774 0.542 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.740 8.780 -0.086 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.817 9.518 1.664 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.888 9.494 0.624 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.515 9.954 1.690 1.00 0.00 N ATOM 0 H HIS A 20 -4.999 6.220 -0.594 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.633 6.089 0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.364 8.424 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.031 8.298 0.603 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.524 8.306 -0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.579 9.729 2.400 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.852 9.672 0.375 1.00 0.00 H new ATOM 314 N ALA A 21 -8.647 5.443 -1.472 1.00 0.00 N ATOM 315 CA ALA A 21 -9.190 4.905 -2.713 1.00 0.00 C ATOM 316 C ALA A 21 -10.672 4.585 -2.559 1.00 0.00 C ATOM 317 O ALA A 21 -11.129 4.238 -1.470 1.00 0.00 O ATOM 318 CB ALA A 21 -8.418 3.660 -3.126 1.00 0.00 C ATOM 0 H ALA A 21 -9.262 5.343 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.084 5.659 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.832 3.266 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.369 3.915 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.499 2.905 -2.344 1.00 0.00 H new ATOM 324 N GLU A 22 -11.422 4.699 -3.650 1.00 0.00 N ATOM 325 CA GLU A 22 -12.852 4.413 -3.617 1.00 0.00 C ATOM 326 C GLU A 22 -13.164 3.120 -4.362 1.00 0.00 C ATOM 327 O GLU A 22 -13.029 3.046 -5.583 1.00 0.00 O ATOM 328 CB GLU A 22 -13.648 5.575 -4.216 1.00 0.00 C ATOM 329 CG GLU A 22 -13.323 5.857 -5.673 1.00 0.00 C ATOM 330 CD GLU A 22 -13.481 7.322 -6.028 1.00 0.00 C ATOM 331 OE1 GLU A 22 -12.702 8.147 -5.505 1.00 0.00 O ATOM 332 OE2 GLU A 22 -14.383 7.645 -6.830 1.00 0.00 O ATOM 0 H GLU A 22 -11.067 4.985 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.147 4.289 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.712 5.358 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.456 6.474 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.300 5.544 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.975 5.259 -6.310 1.00 0.00 H new ATOM 339 N CYS A 23 -13.576 2.101 -3.614 1.00 0.00 N ATOM 340 CA CYS A 23 -13.904 0.805 -4.198 1.00 0.00 C ATOM 341 C CYS A 23 -15.411 0.570 -4.191 1.00 0.00 C ATOM 342 O CYS A 23 -16.126 1.088 -3.333 1.00 0.00 O ATOM 343 CB CYS A 23 -13.201 -0.321 -3.431 1.00 0.00 C ATOM 344 SG CYS A 23 -11.537 0.093 -2.854 1.00 0.00 S ATOM 0 H CYS A 23 -13.691 2.148 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.556 0.805 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.813 -0.595 -2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.141 -1.200 -4.073 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.615 0.972 -1.900 1.00 0.00 H new ATOM 350 N GLY A 24 -15.887 -0.218 -5.150 1.00 0.00 N ATOM 351 CA GLY A 24 -17.306 -0.511 -5.234 1.00 0.00 C ATOM 352 C GLY A 24 -17.689 -1.742 -4.438 1.00 0.00 C ATOM 353 O GLY A 24 -16.821 -2.475 -3.963 1.00 0.00 O ATOM 0 H GLY A 24 -15.315 -0.659 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.873 0.345 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.583 -0.656 -6.278 1.00 0.00 H new ATOM 357 N ASN A 25 -18.990 -1.974 -4.290 1.00 0.00 N ATOM 358 CA ASN A 25 -19.475 -3.131 -3.543 1.00 0.00 C ATOM 359 C ASN A 25 -20.158 -4.129 -4.474 1.00 0.00 C ATOM 360 O ASN A 25 -20.026 -5.341 -4.306 1.00 0.00 O ATOM 361 CB ASN A 25 -20.443 -2.705 -2.429 1.00 0.00 C ATOM 362 CG ASN A 25 -20.832 -1.240 -2.505 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.431 -0.434 -1.665 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.617 -0.890 -3.515 1.00 0.00 N ATOM 0 H ASN A 25 -19.724 -1.380 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.612 -3.613 -3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.343 -3.317 -2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.983 -2.903 -1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.912 0.081 -3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.925 -1.592 -4.188 1.00 0.00 H new ATOM 371 N GLY A 26 -20.890 -3.609 -5.453 1.00 0.00 N ATOM 372 CA GLY A 26 -21.588 -4.462 -6.396 1.00 0.00 C ATOM 373 C GLY A 26 -22.963 -3.926 -6.739 1.00 0.00 C ATOM 374 O GLY A 26 -23.523 -4.248 -7.786 1.00 0.00 O ATOM 0 H GLY A 26 -21.012 -2.609 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -20.997 -4.554 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -21.684 -5.463 -5.976 1.00 0.00 H new ATOM 378 N GLU A 27 -23.504 -3.101 -5.848 1.00 0.00 N ATOM 379 CA GLU A 27 -24.818 -2.508 -6.047 1.00 0.00 C ATOM 380 C GLU A 27 -24.821 -1.575 -7.255 1.00 0.00 C ATOM 381 O GLU A 27 -25.858 -1.355 -7.881 1.00 0.00 O ATOM 382 CB GLU A 27 -25.238 -1.743 -4.788 1.00 0.00 C ATOM 383 CG GLU A 27 -24.505 -0.425 -4.594 1.00 0.00 C ATOM 384 CD GLU A 27 -25.247 0.749 -5.203 1.00 0.00 C ATOM 385 OE1 GLU A 27 -25.044 1.021 -6.405 1.00 0.00 O ATOM 386 OE2 GLU A 27 -26.030 1.397 -4.477 1.00 0.00 O ATOM 0 H GLU A 27 -23.048 -2.828 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 27 -25.532 -3.309 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -26.309 -1.548 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -25.066 -2.375 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -24.362 -0.246 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -23.514 -0.495 -5.042 1.00 0.00 H new ATOM 393 N GLY A 28 -23.653 -1.027 -7.573 1.00 0.00 N ATOM 394 CA GLY A 28 -23.538 -0.120 -8.700 1.00 0.00 C ATOM 395 C GLY A 28 -22.927 1.215 -8.314 1.00 0.00 C ATOM 396 O GLY A 28 -22.792 2.106 -9.152 1.00 0.00 O ATOM 0 H GLY A 28 -22.782 -1.195 -7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.928 -0.584 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -24.526 0.047 -9.130 1.00 0.00 H new ATOM 400 N ASP A 29 -22.556 1.355 -7.043 1.00 0.00 N ATOM 401 CA ASP A 29 -21.956 2.591 -6.553 1.00 0.00 C ATOM 402 C ASP A 29 -20.583 2.320 -5.949 1.00 0.00 C ATOM 403 O ASP A 29 -20.241 1.176 -5.649 1.00 0.00 O ATOM 404 CB ASP A 29 -22.866 3.246 -5.513 1.00 0.00 C ATOM 405 CG ASP A 29 -23.806 4.266 -6.126 1.00 0.00 C ATOM 406 OD1 ASP A 29 -23.354 5.395 -6.410 1.00 0.00 O ATOM 407 OD2 ASP A 29 -24.994 3.935 -6.323 1.00 0.00 O ATOM 0 H ASP A 29 -22.661 0.628 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 29 -21.836 3.271 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -23.449 2.476 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -22.254 3.731 -4.753 1.00 0.00 H new ATOM 412 N TYR A 30 -19.800 3.378 -5.774 1.00 0.00 N ATOM 413 CA TYR A 30 -18.463 3.250 -5.207 1.00 0.00 C ATOM 414 C TYR A 30 -18.422 3.768 -3.774 1.00 0.00 C ATOM 415 O TYR A 30 -19.268 4.563 -3.366 1.00 0.00 O ATOM 416 CB TYR A 30 -17.448 3.999 -6.069 1.00 0.00 C ATOM 417 CG TYR A 30 -16.878 3.159 -7.189 1.00 0.00 C ATOM 418 CD1 TYR A 30 -17.713 2.458 -8.050 1.00 0.00 C ATOM 419 CD2 TYR A 30 -15.507 3.065 -7.384 1.00 0.00 C ATOM 420 CE1 TYR A 30 -17.196 1.687 -9.073 1.00 0.00 C ATOM 421 CE2 TYR A 30 -14.983 2.297 -8.406 1.00 0.00 C ATOM 422 CZ TYR A 30 -15.831 1.610 -9.247 1.00 0.00 C ATOM 423 OH TYR A 30 -15.313 0.844 -10.266 1.00 0.00 O ATOM 0 H TYR A 30 -20.067 4.332 -6.016 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.203 2.192 -5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.924 4.883 -6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.633 4.349 -5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -18.783 2.517 -7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.839 3.601 -6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -17.858 1.147 -9.733 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.914 2.235 -8.545 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.335 0.898 -10.251 1.00 0.00 H new ATOM 433 N VAL A 31 -17.434 3.307 -3.013 1.00 0.00 N ATOM 434 CA VAL A 31 -17.286 3.719 -1.621 1.00 0.00 C ATOM 435 C VAL A 31 -15.846 4.116 -1.312 1.00 0.00 C ATOM 436 O VAL A 31 -14.911 3.363 -1.585 1.00 0.00 O ATOM 437 CB VAL A 31 -17.712 2.599 -0.651 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.941 3.160 0.743 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.958 1.888 -1.161 1.00 0.00 C ATOM 0 H VAL A 31 -16.725 2.649 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.938 4.581 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.906 1.867 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.241 2.355 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.020 3.613 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.727 3.914 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.240 1.102 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.775 2.604 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.752 1.448 -2.137 1.00 0.00 H new ATOM 449 N GLU A 32 -15.674 5.304 -0.738 1.00 0.00 N ATOM 450 CA GLU A 32 -14.350 5.801 -0.388 1.00 0.00 C ATOM 451 C GLU A 32 -13.787 5.056 0.818 1.00 0.00 C ATOM 452 O GLU A 32 -14.473 4.876 1.824 1.00 0.00 O ATOM 453 CB GLU A 32 -14.411 7.299 -0.089 1.00 0.00 C ATOM 454 CG GLU A 32 -13.150 8.047 -0.483 1.00 0.00 C ATOM 455 CD GLU A 32 -12.043 7.906 0.543 1.00 0.00 C ATOM 456 OE1 GLU A 32 -12.202 8.432 1.665 1.00 0.00 O ATOM 457 OE2 GLU A 32 -11.017 7.268 0.226 1.00 0.00 O ATOM 0 H GLU A 32 -16.437 5.940 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.690 5.630 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.261 7.732 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.591 7.442 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.798 7.676 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.385 9.103 -0.615 1.00 0.00 H new ATOM 464 N SER A 33 -12.534 4.627 0.711 1.00 0.00 N ATOM 465 CA SER A 33 -11.878 3.904 1.792 1.00 0.00 C ATOM 466 C SER A 33 -10.422 4.337 1.927 1.00 0.00 C ATOM 467 O SER A 33 -9.821 4.833 0.974 1.00 0.00 O ATOM 468 CB SER A 33 -11.958 2.395 1.548 1.00 0.00 C ATOM 469 OG SER A 33 -12.637 2.107 0.337 1.00 0.00 O ATOM 0 H SER A 33 -11.952 4.768 -0.115 1.00 0.00 H new ATOM 0 HA SER A 33 -12.395 4.139 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.952 1.976 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.474 1.916 2.380 1.00 0.00 H new ATOM 0 HG SER A 33 -13.463 1.618 0.534 1.00 0.00 H new ATOM 475 N THR A 34 -9.859 4.146 3.116 1.00 0.00 N ATOM 476 CA THR A 34 -8.473 4.518 3.373 1.00 0.00 C ATOM 477 C THR A 34 -7.797 3.502 4.288 1.00 0.00 C ATOM 478 O THR A 34 -8.424 2.960 5.198 1.00 0.00 O ATOM 479 CB THR A 34 -8.406 5.913 3.998 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.881 5.887 5.333 1.00 0.00 O ATOM 481 CG2 THR A 34 -9.215 6.947 3.244 1.00 0.00 C ATOM 0 H THR A 34 -10.341 3.736 3.916 1.00 0.00 H new ATOM 0 HA THR A 34 -7.942 4.529 2.421 1.00 0.00 H new ATOM 0 HB THR A 34 -7.355 6.197 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.829 6.787 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.124 7.913 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.842 7.027 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.263 6.646 3.225 1.00 0.00 H new ATOM 489 N LEU A 35 -6.516 3.248 4.040 1.00 0.00 N ATOM 490 CA LEU A 35 -5.757 2.294 4.842 1.00 0.00 C ATOM 491 C LEU A 35 -4.434 2.895 5.305 1.00 0.00 C ATOM 492 O LEU A 35 -3.744 3.569 4.540 1.00 0.00 O ATOM 493 CB LEU A 35 -5.492 1.017 4.042 1.00 0.00 C ATOM 494 CG LEU A 35 -5.122 -0.207 4.885 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.229 -1.250 4.833 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.804 -0.804 4.414 1.00 0.00 C ATOM 0 H LEU A 35 -5.982 3.689 3.291 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.353 2.050 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.381 0.782 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.686 1.210 3.334 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.003 0.115 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.946 -2.111 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.152 -0.820 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.383 -1.566 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.559 -1.672 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.894 -1.108 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.013 -0.060 4.507 1.00 0.00 H new ATOM 508 N ASP A 36 -4.085 2.639 6.560 1.00 0.00 N ATOM 509 CA ASP A 36 -2.843 3.144 7.129 1.00 0.00 C ATOM 510 C ASP A 36 -1.772 2.062 7.126 1.00 0.00 C ATOM 511 O ASP A 36 -1.970 0.975 7.659 1.00 0.00 O ATOM 512 CB ASP A 36 -3.076 3.645 8.556 1.00 0.00 C ATOM 513 CG ASP A 36 -1.951 4.534 9.048 1.00 0.00 C ATOM 514 OD1 ASP A 36 -0.848 4.475 8.464 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.172 5.289 10.018 1.00 0.00 O ATOM 0 H ASP A 36 -4.647 2.083 7.204 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.499 3.976 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.015 4.197 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.180 2.791 9.225 1.00 0.00 H new ATOM 520 N LEU A 37 -0.640 2.365 6.513 1.00 0.00 N ATOM 521 CA LEU A 37 0.469 1.421 6.442 1.00 0.00 C ATOM 522 C LEU A 37 1.376 1.567 7.649 1.00 0.00 C ATOM 523 O LEU A 37 2.032 0.613 8.068 1.00 0.00 O ATOM 524 CB LEU A 37 1.270 1.633 5.174 1.00 0.00 C ATOM 525 CG LEU A 37 0.454 2.106 3.983 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.226 3.161 3.227 1.00 0.00 C ATOM 527 CD2 LEU A 37 0.090 0.929 3.100 1.00 0.00 C ATOM 0 H LEU A 37 -0.462 3.259 6.055 1.00 0.00 H new ATOM 0 HA LEU A 37 0.052 0.414 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.055 2.363 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.764 0.698 4.911 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.478 2.555 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.639 3.499 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.428 4.006 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.168 2.741 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.495 1.279 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.000 0.448 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.497 0.212 3.673 1.00 0.00 H new ATOM 539 N ASP A 38 1.407 2.773 8.210 1.00 0.00 N ATOM 540 CA ASP A 38 2.233 3.049 9.376 1.00 0.00 C ATOM 541 C ASP A 38 1.885 2.102 10.518 1.00 0.00 C ATOM 542 O ASP A 38 2.613 2.014 11.507 1.00 0.00 O ATOM 543 CB ASP A 38 2.054 4.500 9.826 1.00 0.00 C ATOM 544 CG ASP A 38 3.139 4.945 10.788 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.315 4.998 10.372 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.811 5.240 11.956 1.00 0.00 O ATOM 0 H ASP A 38 0.869 3.572 7.874 1.00 0.00 H new ATOM 0 HA ASP A 38 3.276 2.892 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.057 5.152 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.081 4.612 10.303 1.00 0.00 H new ATOM 551 N TYR A 39 0.770 1.391 10.374 1.00 0.00 N ATOM 552 CA TYR A 39 0.338 0.448 11.400 1.00 0.00 C ATOM 553 C TYR A 39 0.032 -0.931 10.805 1.00 0.00 C ATOM 554 O TYR A 39 -0.388 -1.842 11.518 1.00 0.00 O ATOM 555 CB TYR A 39 -0.878 1.006 12.152 1.00 0.00 C ATOM 556 CG TYR A 39 -2.216 0.579 11.589 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.460 0.626 10.226 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.233 0.133 12.424 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.681 0.240 9.705 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.457 -0.255 11.912 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.676 -0.200 10.552 1.00 0.00 C ATOM 562 OH TYR A 39 -5.892 -0.586 10.038 1.00 0.00 O ATOM 0 H TYR A 39 0.154 1.449 9.563 1.00 0.00 H new ATOM 0 HA TYR A 39 1.157 0.318 12.108 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.820 0.692 13.194 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.826 2.095 12.144 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.683 0.970 9.559 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.065 0.089 13.490 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.855 0.283 8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.238 -0.599 12.574 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.837 -1.515 9.731 1.00 0.00 H new ATOM 572 N TYR A 40 0.248 -1.080 9.498 1.00 0.00 N ATOM 573 CA TYR A 40 -0.003 -2.349 8.822 1.00 0.00 C ATOM 574 C TYR A 40 1.274 -2.896 8.181 1.00 0.00 C ATOM 575 O TYR A 40 1.389 -4.097 7.940 1.00 0.00 O ATOM 576 CB TYR A 40 -1.093 -2.179 7.760 1.00 0.00 C ATOM 577 CG TYR A 40 -2.440 -2.724 8.182 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.869 -2.631 9.501 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.284 -3.330 7.260 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.098 -3.128 9.889 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.516 -3.829 7.640 1.00 0.00 C ATOM 582 CZ TYR A 40 -4.918 -3.726 8.955 1.00 0.00 C ATOM 583 OH TYR A 40 -6.143 -4.222 9.337 1.00 0.00 O ATOM 0 H TYR A 40 0.595 -0.339 8.889 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.342 -3.066 9.569 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.197 -1.120 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.778 -2.680 6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.230 -2.162 10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.973 -3.413 6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.415 -3.049 10.918 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.160 -4.297 6.911 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.596 -4.610 8.559 1.00 0.00 H new ATOM 593 N ILE A 41 2.232 -2.011 7.910 1.00 0.00 N ATOM 594 CA ILE A 41 3.495 -2.414 7.302 1.00 0.00 C ATOM 595 C ILE A 41 4.682 -1.924 8.128 1.00 0.00 C ATOM 596 O ILE A 41 4.651 -0.827 8.685 1.00 0.00 O ATOM 597 CB ILE A 41 3.621 -1.879 5.860 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.538 -2.494 4.974 1.00 0.00 C ATOM 599 CG2 ILE A 41 5.004 -2.173 5.293 1.00 0.00 C ATOM 600 CD1 ILE A 41 2.035 -1.557 3.900 1.00 0.00 C ATOM 0 H ILE A 41 2.156 -1.012 8.102 1.00 0.00 H new ATOM 0 HA ILE A 41 3.503 -3.504 7.275 1.00 0.00 H new ATOM 0 HB ILE A 41 3.486 -0.798 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.932 -3.395 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.700 -2.802 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.070 -1.787 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.761 -1.693 5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.172 -3.250 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.269 -2.059 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.611 -0.666 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.863 -1.269 3.252 1.00 0.00 H new ATOM 612 N GLY A 42 5.726 -2.744 8.201 1.00 0.00 N ATOM 613 CA GLY A 42 6.907 -2.376 8.961 1.00 0.00 C ATOM 614 C GLY A 42 8.188 -2.556 8.171 1.00 0.00 C ATOM 615 O GLY A 42 8.160 -2.972 7.013 1.00 0.00 O ATOM 0 H GLY A 42 5.775 -3.656 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.822 -1.336 9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.955 -2.981 9.867 1.00 0.00 H new ATOM 619 N ASN A 43 9.315 -2.241 8.802 1.00 0.00 N ATOM 620 CA ASN A 43 10.616 -2.369 8.157 1.00 0.00 C ATOM 621 C ASN A 43 11.294 -3.678 8.554 1.00 0.00 C ATOM 622 O ASN A 43 11.726 -3.844 9.694 1.00 0.00 O ATOM 623 CB ASN A 43 11.511 -1.184 8.530 1.00 0.00 C ATOM 624 CG ASN A 43 12.904 -1.295 7.940 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.595 -2.296 8.131 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.325 -0.264 7.219 1.00 0.00 N ATOM 0 H ASN A 43 9.353 -1.895 9.761 1.00 0.00 H new ATOM 0 HA ASN A 43 10.461 -2.374 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.047 -0.260 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.585 -1.117 9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.254 -0.281 6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.720 0.546 7.086 1.00 0.00 H new ATOM 633 N ASP A 44 11.388 -4.601 7.603 1.00 0.00 N ATOM 634 CA ASP A 44 12.019 -5.891 7.852 1.00 0.00 C ATOM 635 C ASP A 44 13.325 -6.013 7.074 1.00 0.00 C ATOM 636 O ASP A 44 13.324 -6.340 5.887 1.00 0.00 O ATOM 637 CB ASP A 44 11.073 -7.029 7.466 1.00 0.00 C ATOM 638 CG ASP A 44 11.411 -8.327 8.173 1.00 0.00 C ATOM 639 OD1 ASP A 44 11.160 -8.421 9.392 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.927 -9.249 7.506 1.00 0.00 O ATOM 0 H ASP A 44 11.035 -4.480 6.654 1.00 0.00 H new ATOM 0 HA ASP A 44 12.242 -5.961 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.049 -6.744 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.116 -7.184 6.388 1.00 0.00 H new ATOM 645 N ASP A 45 14.439 -5.747 7.750 1.00 0.00 N ATOM 646 CA ASP A 45 15.753 -5.827 7.122 1.00 0.00 C ATOM 647 C ASP A 45 15.822 -4.936 5.884 1.00 0.00 C ATOM 648 O ASP A 45 16.266 -5.367 4.819 1.00 0.00 O ATOM 649 CB ASP A 45 16.071 -7.274 6.743 1.00 0.00 C ATOM 650 CG ASP A 45 17.494 -7.443 6.247 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.429 -7.080 6.991 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.673 -7.939 5.114 1.00 0.00 O ATOM 0 H ASP A 45 14.457 -5.474 8.733 1.00 0.00 H new ATOM 0 HA ASP A 45 16.494 -5.475 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.912 -7.917 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.378 -7.605 5.969 1.00 0.00 H new ATOM 657 N GLY A 46 15.377 -3.693 6.031 1.00 0.00 N ATOM 658 CA GLY A 46 15.393 -2.764 4.916 1.00 0.00 C ATOM 659 C GLY A 46 14.412 -3.147 3.825 1.00 0.00 C ATOM 660 O GLY A 46 14.521 -2.678 2.692 1.00 0.00 O ATOM 0 H GLY A 46 15.006 -3.312 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.156 -1.763 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.398 -2.722 4.497 1.00 0.00 H new ATOM 664 N SER A 47 13.451 -4.002 4.164 1.00 0.00 N ATOM 665 CA SER A 47 12.448 -4.445 3.203 1.00 0.00 C ATOM 666 C SER A 47 11.041 -4.246 3.756 1.00 0.00 C ATOM 667 O SER A 47 10.855 -4.060 4.958 1.00 0.00 O ATOM 668 CB SER A 47 12.666 -5.918 2.850 1.00 0.00 C ATOM 669 OG SER A 47 12.364 -6.166 1.488 1.00 0.00 O ATOM 0 H SER A 47 13.347 -4.401 5.097 1.00 0.00 H new ATOM 0 HA SER A 47 12.553 -3.843 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.701 -6.194 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.039 -6.544 3.485 1.00 0.00 H new ATOM 0 HG SER A 47 12.513 -7.114 1.287 1.00 0.00 H new ATOM 675 N PHE A 48 10.052 -4.286 2.869 1.00 0.00 N ATOM 676 CA PHE A 48 8.660 -4.110 3.267 1.00 0.00 C ATOM 677 C PHE A 48 8.071 -5.422 3.778 1.00 0.00 C ATOM 678 O PHE A 48 8.341 -6.490 3.228 1.00 0.00 O ATOM 679 CB PHE A 48 7.835 -3.592 2.088 1.00 0.00 C ATOM 680 CG PHE A 48 8.094 -2.148 1.760 1.00 0.00 C ATOM 681 CD1 PHE A 48 8.094 -1.187 2.758 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.335 -1.752 0.454 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.330 0.141 2.460 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.572 -0.425 0.150 1.00 0.00 C ATOM 685 CZ PHE A 48 8.570 0.523 1.154 1.00 0.00 C ATOM 0 H PHE A 48 10.189 -4.439 1.870 1.00 0.00 H new ATOM 0 HA PHE A 48 8.627 -3.379 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.051 -4.200 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.776 -3.721 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.907 -1.480 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.338 -2.489 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.327 0.880 3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.759 -0.130 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.756 1.561 0.919 1.00 0.00 H new ATOM 695 N SER A 49 7.268 -5.335 4.834 1.00 0.00 N ATOM 696 CA SER A 49 6.644 -6.517 5.419 1.00 0.00 C ATOM 697 C SER A 49 5.148 -6.302 5.625 1.00 0.00 C ATOM 698 O SER A 49 4.729 -5.305 6.215 1.00 0.00 O ATOM 699 CB SER A 49 7.309 -6.863 6.752 1.00 0.00 C ATOM 700 OG SER A 49 7.432 -8.266 6.913 1.00 0.00 O ATOM 0 H SER A 49 7.034 -4.459 5.302 1.00 0.00 H new ATOM 0 HA SER A 49 6.779 -7.347 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.295 -6.401 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.722 -6.450 7.572 1.00 0.00 H new ATOM 0 HG SER A 49 7.862 -8.460 7.772 1.00 0.00 H new ATOM 706 N TRP A 50 4.347 -7.244 5.138 1.00 0.00 N ATOM 707 CA TRP A 50 2.898 -7.160 5.270 1.00 0.00 C ATOM 708 C TRP A 50 2.460 -7.542 6.680 1.00 0.00 C ATOM 709 O TRP A 50 2.652 -8.677 7.115 1.00 0.00 O ATOM 710 CB TRP A 50 2.220 -8.074 4.248 1.00 0.00 C ATOM 711 CG TRP A 50 2.073 -7.447 2.895 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.648 -7.868 1.730 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.301 -6.286 2.566 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.281 -7.039 0.697 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.455 -6.061 1.185 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.495 -5.416 3.305 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.832 -5.003 0.529 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.123 -4.365 2.652 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.048 -4.167 1.276 1.00 0.00 C ATOM 0 H TRP A 50 4.678 -8.075 4.648 1.00 0.00 H new ATOM 0 HA TRP A 50 2.598 -6.129 5.081 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.798 -8.993 4.154 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.234 -8.354 4.620 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.296 -8.727 1.634 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.576 -7.136 -0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.357 -5.562 4.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.963 -4.848 -0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.748 -3.686 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.449 -3.338 0.795 1.00 0.00 H new ATOM 730 N GLY A 51 1.874 -6.584 7.390 1.00 0.00 N ATOM 731 CA GLY A 51 1.419 -6.837 8.744 1.00 0.00 C ATOM 732 C GLY A 51 2.290 -6.163 9.789 1.00 0.00 C ATOM 733 O GLY A 51 2.138 -6.414 10.985 1.00 0.00 O ATOM 0 H GLY A 51 1.706 -5.637 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.393 -6.485 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.408 -7.912 8.924 1.00 0.00 H new ATOM 737 N GLY A 52 3.203 -5.305 9.342 1.00 0.00 N ATOM 738 CA GLY A 52 4.081 -4.611 10.265 1.00 0.00 C ATOM 739 C GLY A 52 3.543 -3.250 10.659 1.00 0.00 C ATOM 740 O GLY A 52 2.331 -3.040 10.691 1.00 0.00 O ATOM 0 H GLY A 52 3.350 -5.079 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.217 -5.218 11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.064 -4.492 9.808 1.00 0.00 H new ATOM 744 N GLU A 53 4.445 -2.322 10.961 1.00 0.00 N ATOM 745 CA GLU A 53 4.052 -0.975 11.354 1.00 0.00 C ATOM 746 C GLU A 53 5.276 -0.101 11.608 1.00 0.00 C ATOM 747 O GLU A 53 6.360 -0.603 11.902 1.00 0.00 O ATOM 748 CB GLU A 53 3.174 -1.024 12.604 1.00 0.00 C ATOM 749 CG GLU A 53 3.758 -1.868 13.726 1.00 0.00 C ATOM 750 CD GLU A 53 3.175 -1.519 15.081 1.00 0.00 C ATOM 751 OE1 GLU A 53 2.022 -1.917 15.352 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.871 -0.848 15.872 1.00 0.00 O ATOM 0 H GLU A 53 5.453 -2.479 10.941 1.00 0.00 H new ATOM 0 HA GLU A 53 3.482 -0.536 10.535 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.018 -0.009 12.968 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.195 -1.420 12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.575 -2.922 13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.839 -1.732 13.754 1.00 0.00 H new ATOM 759 N ASN A 54 5.093 1.211 11.490 1.00 0.00 N ATOM 760 CA ASN A 54 6.180 2.159 11.705 1.00 0.00 C ATOM 761 C ASN A 54 7.281 1.973 10.666 1.00 0.00 C ATOM 762 O ASN A 54 8.448 2.267 10.924 1.00 0.00 O ATOM 763 CB ASN A 54 6.758 1.998 13.112 1.00 0.00 C ATOM 764 CG ASN A 54 5.701 2.141 14.190 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.053 1.034 14.534 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.470 3.234 14.708 1.00 0.00 N flip ATOM 0 H ASN A 54 4.201 1.642 11.246 1.00 0.00 H new ATOM 0 HA ASN A 54 5.774 3.165 11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.231 1.020 13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.537 2.744 13.269 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.992 4.059 14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.756 3.314 15.432 1.00 0.00 H new ATOM 773 N PHE A 55 6.902 1.485 9.488 1.00 0.00 N ATOM 774 CA PHE A 55 7.859 1.264 8.410 1.00 0.00 C ATOM 775 C PHE A 55 8.551 2.568 8.022 1.00 0.00 C ATOM 776 O PHE A 55 9.755 2.593 7.768 1.00 0.00 O ATOM 777 CB PHE A 55 7.154 0.655 7.193 1.00 0.00 C ATOM 778 CG PHE A 55 6.319 1.637 6.420 1.00 0.00 C ATOM 779 CD1 PHE A 55 5.077 2.034 6.889 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.779 2.163 5.224 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.310 2.937 6.179 1.00 0.00 C ATOM 782 CE2 PHE A 55 6.016 3.067 4.509 1.00 0.00 C ATOM 783 CZ PHE A 55 4.780 3.454 4.987 1.00 0.00 C ATOM 0 H PHE A 55 5.940 1.236 9.257 1.00 0.00 H new ATOM 0 HA PHE A 55 8.618 0.567 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.904 0.227 6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.518 -0.165 7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.705 1.633 7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.745 1.863 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.344 3.239 6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.386 3.470 3.578 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.181 4.160 4.430 1.00 0.00 H new ATOM 793 N SER A 56 7.778 3.649 7.979 1.00 0.00 N ATOM 794 CA SER A 56 8.312 4.959 7.623 1.00 0.00 C ATOM 795 C SER A 56 9.321 5.440 8.662 1.00 0.00 C ATOM 796 O SER A 56 10.208 6.238 8.356 1.00 0.00 O ATOM 797 CB SER A 56 7.178 5.976 7.490 1.00 0.00 C ATOM 798 OG SER A 56 7.685 7.285 7.296 1.00 0.00 O ATOM 0 H SER A 56 6.779 3.643 8.186 1.00 0.00 H new ATOM 0 HA SER A 56 8.823 4.865 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.537 5.703 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.558 5.952 8.386 1.00 0.00 H new ATOM 0 HG SER A 56 6.939 7.916 7.212 1.00 0.00 H new ATOM 804 N GLY A 57 9.182 4.950 9.891 1.00 0.00 N ATOM 805 CA GLY A 57 10.090 5.342 10.956 1.00 0.00 C ATOM 806 C GLY A 57 11.548 5.198 10.561 1.00 0.00 C ATOM 807 O GLY A 57 12.414 5.895 11.090 1.00 0.00 O ATOM 0 H GLY A 57 8.457 4.289 10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.893 6.377 11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.894 4.733 11.838 1.00 0.00 H new ATOM 811 N SER A 58 11.819 4.292 9.627 1.00 0.00 N ATOM 812 CA SER A 58 13.179 4.059 9.158 1.00 0.00 C ATOM 813 C SER A 58 13.240 4.092 7.634 1.00 0.00 C ATOM 814 O SER A 58 14.069 3.419 7.021 1.00 0.00 O ATOM 815 CB SER A 58 13.696 2.715 9.673 1.00 0.00 C ATOM 816 OG SER A 58 12.959 2.283 10.803 1.00 0.00 O ATOM 0 H SER A 58 11.113 3.707 9.180 1.00 0.00 H new ATOM 0 HA SER A 58 13.813 4.856 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.626 1.968 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.750 2.804 9.935 1.00 0.00 H new ATOM 0 HG SER A 58 13.308 1.421 11.111 1.00 0.00 H new ATOM 822 N ALA A 59 12.355 4.878 7.028 1.00 0.00 N ATOM 823 CA ALA A 59 12.307 4.998 5.577 1.00 0.00 C ATOM 824 C ALA A 59 12.360 6.460 5.145 1.00 0.00 C ATOM 825 O ALA A 59 12.097 7.362 5.940 1.00 0.00 O ATOM 826 CB ALA A 59 11.053 4.327 5.034 1.00 0.00 C ATOM 0 H ALA A 59 11.662 5.441 7.521 1.00 0.00 H new ATOM 0 HA ALA A 59 13.182 4.494 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.029 4.424 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.059 3.271 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.171 4.805 5.460 1.00 0.00 H new ATOM 832 N SER A 60 12.704 6.686 3.882 1.00 0.00 N ATOM 833 CA SER A 60 12.794 8.039 3.344 1.00 0.00 C ATOM 834 C SER A 60 12.054 8.151 2.016 1.00 0.00 C ATOM 835 O SER A 60 11.952 7.178 1.269 1.00 0.00 O ATOM 836 CB SER A 60 14.258 8.436 3.156 1.00 0.00 C ATOM 837 OG SER A 60 14.887 7.619 2.183 1.00 0.00 O ATOM 0 H SER A 60 12.925 5.950 3.211 1.00 0.00 H new ATOM 0 HA SER A 60 12.325 8.717 4.057 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.319 9.481 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.787 8.349 4.105 1.00 0.00 H new ATOM 0 HG SER A 60 15.822 7.894 2.080 1.00 0.00 H new ATOM 843 N ASN A 61 11.544 9.349 1.730 1.00 0.00 N ATOM 844 CA ASN A 61 10.809 9.614 0.490 1.00 0.00 C ATOM 845 C ASN A 61 9.925 8.432 0.094 1.00 0.00 C ATOM 846 O ASN A 61 10.132 7.808 -0.947 1.00 0.00 O ATOM 847 CB ASN A 61 11.775 9.952 -0.654 1.00 0.00 C ATOM 848 CG ASN A 61 13.125 9.272 -0.513 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.178 7.987 -0.840 1.00 0.00 O flip ATOM 850 ND2 ASN A 61 14.109 9.896 -0.116 1.00 0.00 N flip ATOM 0 H ASN A 61 11.627 10.158 2.345 1.00 0.00 H new ATOM 0 HA ASN A 61 10.163 10.472 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.324 9.658 -1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.921 11.032 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.024 10.884 0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 61 15.010 9.426 -0.028 1.00 0.00 H new ATOM 857 N ILE A 62 8.939 8.132 0.932 1.00 0.00 N ATOM 858 CA ILE A 62 8.023 7.028 0.671 1.00 0.00 C ATOM 859 C ILE A 62 6.849 7.485 -0.189 1.00 0.00 C ATOM 860 O ILE A 62 6.066 8.343 0.219 1.00 0.00 O ATOM 861 CB ILE A 62 7.481 6.421 1.981 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.604 6.281 3.011 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.832 5.072 1.711 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.129 5.773 4.356 1.00 0.00 C ATOM 0 H ILE A 62 8.754 8.638 1.798 1.00 0.00 H new ATOM 0 HA ILE A 62 8.590 6.265 0.137 1.00 0.00 H new ATOM 0 HB ILE A 62 6.725 7.092 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.361 5.601 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.085 7.250 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.454 4.656 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.007 5.199 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.569 4.393 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.977 5.698 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.394 6.465 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.674 4.790 4.234 1.00 0.00 H new ATOM 876 N THR A 63 6.733 6.909 -1.382 1.00 0.00 N ATOM 877 CA THR A 63 5.653 7.262 -2.298 1.00 0.00 C ATOM 878 C THR A 63 5.180 6.043 -3.083 1.00 0.00 C ATOM 879 O THR A 63 5.899 5.051 -3.203 1.00 0.00 O ATOM 880 CB THR A 63 6.114 8.356 -3.263 1.00 0.00 C ATOM 881 OG1 THR A 63 7.509 8.265 -3.495 1.00 0.00 O ATOM 882 CG2 THR A 63 5.822 9.755 -2.767 1.00 0.00 C ATOM 0 H THR A 63 7.372 6.197 -1.737 1.00 0.00 H new ATOM 0 HA THR A 63 4.817 7.635 -1.706 1.00 0.00 H new ATOM 0 HB THR A 63 5.549 8.188 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.784 8.972 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.175 10.482 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.748 9.874 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.333 9.919 -1.818 1.00 0.00 H new ATOM 890 N LEU A 64 3.965 6.125 -3.617 1.00 0.00 N ATOM 891 CA LEU A 64 3.393 5.029 -4.391 1.00 0.00 C ATOM 892 C LEU A 64 3.410 5.348 -5.883 1.00 0.00 C ATOM 893 O LEU A 64 2.949 6.407 -6.307 1.00 0.00 O ATOM 894 CB LEU A 64 1.960 4.749 -3.934 1.00 0.00 C ATOM 895 CG LEU A 64 1.298 3.534 -4.587 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.615 2.267 -3.805 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.206 3.739 -4.691 1.00 0.00 C ATOM 0 H LEU A 64 3.358 6.940 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 64 4.002 4.141 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.961 4.606 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.351 5.629 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 64 1.699 3.422 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.135 1.414 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.694 2.113 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.243 2.366 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.661 2.865 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.624 3.877 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.412 4.622 -5.296 1.00 0.00 H new ATOM 909 N ASP A 65 3.947 4.423 -6.673 1.00 0.00 N ATOM 910 CA ASP A 65 4.026 4.604 -8.119 1.00 0.00 C ATOM 911 C ASP A 65 3.447 3.399 -8.853 1.00 0.00 C ATOM 912 O ASP A 65 3.436 2.286 -8.327 1.00 0.00 O ATOM 913 CB ASP A 65 5.479 4.828 -8.545 1.00 0.00 C ATOM 914 CG ASP A 65 5.621 5.964 -9.539 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.412 5.726 -10.747 1.00 0.00 O ATOM 916 OD2 ASP A 65 5.942 7.092 -9.110 1.00 0.00 O ATOM 0 H ASP A 65 4.334 3.541 -6.337 1.00 0.00 H new ATOM 0 HA ASP A 65 3.437 5.482 -8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.084 5.042 -7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.871 3.912 -8.986 1.00 0.00 H new ATOM 921 N ILE A 66 2.970 3.627 -10.073 1.00 0.00 N ATOM 922 CA ILE A 66 2.393 2.562 -10.882 1.00 0.00 C ATOM 923 C ILE A 66 3.485 1.810 -11.640 1.00 0.00 C ATOM 924 O ILE A 66 4.421 2.414 -12.164 1.00 0.00 O ATOM 925 CB ILE A 66 1.352 3.126 -11.879 1.00 0.00 C ATOM 926 CG1 ILE A 66 0.005 3.328 -11.179 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.193 2.213 -13.089 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.721 2.035 -10.869 1.00 0.00 C ATOM 0 H ILE A 66 2.972 4.543 -10.523 1.00 0.00 H new ATOM 0 HA ILE A 66 1.889 1.868 -10.209 1.00 0.00 H new ATOM 0 HB ILE A 66 1.713 4.091 -12.236 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.167 3.875 -10.250 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.632 3.950 -11.808 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.455 2.637 -13.770 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.150 2.120 -13.603 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.860 1.228 -12.761 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.666 2.258 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.915 1.496 -11.796 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.105 1.420 -10.214 1.00 0.00 H new ATOM 940 N GLU A 67 3.357 0.488 -11.693 1.00 0.00 N ATOM 941 CA GLU A 67 4.330 -0.348 -12.385 1.00 0.00 C ATOM 942 C GLU A 67 3.640 -1.499 -13.108 1.00 0.00 C ATOM 943 O GLU A 67 2.725 -2.123 -12.571 1.00 0.00 O ATOM 944 CB GLU A 67 5.360 -0.896 -11.395 1.00 0.00 C ATOM 945 CG GLU A 67 6.754 -1.038 -11.984 1.00 0.00 C ATOM 946 CD GLU A 67 7.538 -2.174 -11.357 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.671 -2.189 -10.116 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.019 -3.048 -12.108 1.00 0.00 O ATOM 0 H GLU A 67 2.588 -0.027 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 67 4.841 0.269 -13.125 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.406 -0.236 -10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.025 -1.869 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.675 -1.205 -13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.300 -0.105 -11.846 1.00 0.00 H new ATOM 955 N GLY A 68 4.084 -1.776 -14.330 1.00 0.00 N ATOM 956 CA GLY A 68 3.498 -2.852 -15.106 1.00 0.00 C ATOM 957 C GLY A 68 2.437 -2.359 -16.070 1.00 0.00 C ATOM 958 O GLY A 68 1.972 -1.224 -15.966 1.00 0.00 O ATOM 0 H GLY A 68 4.840 -1.274 -14.796 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.283 -3.363 -15.664 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.058 -3.586 -14.430 1.00 0.00 H new ATOM 962 N ASP A 69 2.053 -3.215 -17.011 1.00 0.00 N ATOM 963 CA ASP A 69 1.040 -2.863 -17.999 1.00 0.00 C ATOM 964 C ASP A 69 -0.368 -2.968 -17.414 1.00 0.00 C ATOM 965 O ASP A 69 -1.339 -2.538 -18.036 1.00 0.00 O ATOM 966 CB ASP A 69 1.164 -3.769 -19.226 1.00 0.00 C ATOM 967 CG ASP A 69 1.892 -3.094 -20.372 1.00 0.00 C ATOM 968 OD1 ASP A 69 1.504 -1.965 -20.739 1.00 0.00 O ATOM 969 OD2 ASP A 69 2.850 -3.695 -20.902 1.00 0.00 O ATOM 0 H ASP A 69 2.428 -4.158 -17.110 1.00 0.00 H new ATOM 0 HA ASP A 69 1.207 -1.828 -18.296 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.694 -4.680 -18.949 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.169 -4.067 -19.556 1.00 0.00 H new ATOM 974 N ASP A 70 -0.476 -3.542 -16.217 1.00 0.00 N ATOM 975 CA ASP A 70 -1.769 -3.699 -15.560 1.00 0.00 C ATOM 976 C ASP A 70 -2.038 -2.559 -14.576 1.00 0.00 C ATOM 977 O ASP A 70 -3.108 -2.493 -13.972 1.00 0.00 O ATOM 978 CB ASP A 70 -1.830 -5.043 -14.831 1.00 0.00 C ATOM 979 CG ASP A 70 -2.755 -6.030 -15.516 1.00 0.00 C ATOM 980 OD1 ASP A 70 -2.328 -6.653 -16.510 1.00 0.00 O ATOM 981 OD2 ASP A 70 -3.907 -6.181 -15.057 1.00 0.00 O ATOM 0 H ASP A 70 0.315 -3.905 -15.685 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.540 -3.670 -16.330 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.828 -5.468 -14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.168 -4.883 -13.807 1.00 0.00 H new ATOM 986 N ASN A 71 -1.064 -1.665 -14.414 1.00 0.00 N ATOM 987 CA ASN A 71 -1.208 -0.539 -13.499 1.00 0.00 C ATOM 988 C ASN A 71 -1.362 -1.028 -12.068 1.00 0.00 C ATOM 989 O ASN A 71 -2.469 -1.082 -11.532 1.00 0.00 O ATOM 990 CB ASN A 71 -2.411 0.320 -13.891 1.00 0.00 C ATOM 991 CG ASN A 71 -2.328 0.813 -15.322 1.00 0.00 C ATOM 992 OD1 ASN A 71 -1.820 1.902 -15.587 1.00 0.00 O ATOM 993 ND2 ASN A 71 -2.828 0.010 -16.254 1.00 0.00 N ATOM 0 H ASN A 71 -0.170 -1.700 -14.904 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.306 0.069 -13.565 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.325 -0.259 -13.762 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.478 1.175 -13.218 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.800 0.288 -17.235 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.240 -0.885 -15.989 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.242 -1.387 -11.455 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.247 -1.878 -10.086 1.00 0.00 C ATOM 1002 C ILE A 72 0.417 -0.878 -9.139 1.00 0.00 C ATOM 1003 O ILE A 72 1.588 -0.539 -9.309 1.00 0.00 O ATOM 1004 CB ILE A 72 0.475 -3.234 -9.972 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.253 -4.075 -11.232 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.010 -3.981 -8.742 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.192 -4.463 -11.453 1.00 0.00 C ATOM 0 H ILE A 72 0.682 -1.347 -11.886 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.291 -2.006 -9.800 1.00 0.00 H new ATOM 0 HB ILE A 72 1.545 -3.050 -9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.607 -3.517 -12.099 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.858 -4.980 -11.166 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.506 -4.938 -8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.198 -3.389 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.083 -4.153 -8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.274 -5.057 -12.363 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.545 -5.049 -10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.799 -3.563 -11.551 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.323 -0.390 -8.125 1.00 0.00 N ATOM 1020 CA PRO A 73 0.208 0.574 -7.154 1.00 0.00 C ATOM 1021 C PRO A 73 1.344 -0.011 -6.322 1.00 0.00 C ATOM 1022 O PRO A 73 1.111 -0.782 -5.391 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.997 0.896 -6.264 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.920 -0.260 -6.433 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.727 -0.737 -7.843 1.00 0.00 C ATOM 0 HA PRO A 73 0.633 1.450 -7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.698 1.014 -5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.473 1.829 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.691 -1.051 -5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.954 0.037 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.903 -1.809 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.411 -0.242 -8.533 1.00 0.00 H new ATOM 1033 N VAL A 74 2.574 0.360 -6.664 1.00 0.00 N ATOM 1034 CA VAL A 74 3.746 -0.129 -5.948 1.00 0.00 C ATOM 1035 C VAL A 74 4.376 0.971 -5.100 1.00 0.00 C ATOM 1036 O VAL A 74 4.653 2.066 -5.590 1.00 0.00 O ATOM 1037 CB VAL A 74 4.806 -0.686 -6.919 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.954 -1.323 -6.151 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.180 -1.685 -7.880 1.00 0.00 C ATOM 0 H VAL A 74 2.784 0.997 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 74 3.403 -0.932 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 74 5.206 0.143 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.692 -1.710 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.421 -0.576 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.573 -2.140 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.944 -2.067 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.749 -2.512 -7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.397 -1.193 -8.457 1.00 0.00 H new ATOM 1049 N LEU A 75 4.602 0.669 -3.825 1.00 0.00 N ATOM 1050 CA LEU A 75 5.203 1.628 -2.904 1.00 0.00 C ATOM 1051 C LEU A 75 6.713 1.428 -2.825 1.00 0.00 C ATOM 1052 O LEU A 75 7.188 0.369 -2.417 1.00 0.00 O ATOM 1053 CB LEU A 75 4.581 1.487 -1.514 1.00 0.00 C ATOM 1054 CG LEU A 75 5.128 2.443 -0.453 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.922 3.890 -0.877 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.466 2.179 0.892 1.00 0.00 C ATOM 0 H LEU A 75 4.378 -0.233 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 75 5.007 2.632 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.505 1.641 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.731 0.464 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 75 6.199 2.267 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.318 4.554 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.443 4.071 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.857 4.082 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.866 2.868 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.390 2.327 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.667 1.153 1.201 1.00 0.00 H new ATOM 1068 N ARG A 76 7.461 2.452 -3.222 1.00 0.00 N ATOM 1069 CA ARG A 76 8.919 2.389 -3.202 1.00 0.00 C ATOM 1070 C ARG A 76 9.502 3.445 -2.268 1.00 0.00 C ATOM 1071 O ARG A 76 9.119 4.614 -2.321 1.00 0.00 O ATOM 1072 CB ARG A 76 9.477 2.580 -4.614 1.00 0.00 C ATOM 1073 CG ARG A 76 9.640 1.281 -5.385 1.00 0.00 C ATOM 1074 CD ARG A 76 9.708 1.527 -6.883 1.00 0.00 C ATOM 1075 NE ARG A 76 8.386 1.493 -7.505 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.185 1.327 -8.810 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.215 1.178 -9.634 1.00 0.00 N ATOM 1078 NH2 ARG A 76 6.950 1.309 -9.293 1.00 0.00 N ATOM 0 H ARG A 76 7.082 3.336 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 76 9.207 1.405 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.814 3.242 -5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.444 3.078 -4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.547 0.773 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.805 0.617 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.172 2.495 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.345 0.773 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 76 7.569 1.603 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.167 1.190 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.054 1.051 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.155 1.422 -8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.795 1.182 -10.293 1.00 0.00 H new ATOM 1092 N ALA A 77 10.431 3.026 -1.415 1.00 0.00 N ATOM 1093 CA ALA A 77 11.068 3.937 -0.471 1.00 0.00 C ATOM 1094 C ALA A 77 12.314 3.309 0.145 1.00 0.00 C ATOM 1095 O ALA A 77 12.333 2.116 0.449 1.00 0.00 O ATOM 1096 CB ALA A 77 10.085 4.339 0.617 1.00 0.00 C ATOM 0 H ALA A 77 10.759 2.062 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 77 11.376 4.829 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.573 5.019 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.226 4.837 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.750 3.450 1.151 1.00 0.00 H new ATOM 1102 N GLU A 78 13.351 4.119 0.332 1.00 0.00 N ATOM 1103 CA GLU A 78 14.598 3.641 0.917 1.00 0.00 C ATOM 1104 C GLU A 78 14.393 3.254 2.378 1.00 0.00 C ATOM 1105 O GLU A 78 14.217 4.115 3.240 1.00 0.00 O ATOM 1106 CB GLU A 78 15.683 4.715 0.809 1.00 0.00 C ATOM 1107 CG GLU A 78 15.941 5.178 -0.615 1.00 0.00 C ATOM 1108 CD GLU A 78 17.315 5.795 -0.787 1.00 0.00 C ATOM 1109 OE1 GLU A 78 18.196 5.527 0.056 1.00 0.00 O ATOM 1110 OE2 GLU A 78 17.509 6.547 -1.765 1.00 0.00 O ATOM 0 H GLU A 78 13.352 5.109 0.087 1.00 0.00 H new ATOM 0 HA GLU A 78 14.918 2.758 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.394 5.574 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.610 4.326 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.840 4.330 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.181 5.906 -0.900 1.00 0.00 H new ATOM 1117 N LEU A 79 14.410 1.953 2.649 1.00 0.00 N ATOM 1118 CA LEU A 79 14.220 1.453 4.005 1.00 0.00 C ATOM 1119 C LEU A 79 15.556 1.281 4.720 1.00 0.00 C ATOM 1120 O LEU A 79 16.579 1.007 4.093 1.00 0.00 O ATOM 1121 CB LEU A 79 13.470 0.120 3.977 1.00 0.00 C ATOM 1122 CG LEU A 79 11.956 0.232 3.790 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.352 -1.134 3.506 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.313 0.856 5.020 1.00 0.00 C ATOM 0 H LEU A 79 14.553 1.226 1.948 1.00 0.00 H new ATOM 0 HA LEU A 79 13.629 2.187 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.876 -0.491 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.667 -0.410 4.909 1.00 0.00 H new ATOM 0 HG LEU A 79 11.760 0.878 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.274 -1.035 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.791 -1.544 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.557 -1.803 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.236 0.928 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.517 0.235 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.725 1.852 5.180 1.00 0.00 H new ATOM 1136 N ASN A 80 15.535 1.440 6.040 1.00 0.00 N ATOM 1137 CA ASN A 80 16.740 1.300 6.848 1.00 0.00 C ATOM 1138 C ASN A 80 16.760 -0.055 7.556 1.00 0.00 C ATOM 1139 O ASN A 80 15.986 -0.287 8.484 1.00 0.00 O ATOM 1140 CB ASN A 80 16.819 2.426 7.881 1.00 0.00 C ATOM 1141 CG ASN A 80 17.359 3.714 7.293 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.372 4.242 7.750 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.681 4.230 6.273 1.00 0.00 N ATOM 0 H ASN A 80 14.695 1.666 6.573 1.00 0.00 H new ATOM 0 HA ASN A 80 17.604 1.362 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.827 2.607 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.456 2.112 8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.996 5.097 5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.846 3.759 5.925 1.00 0.00 H new ATOM 1150 N PRO A 81 17.648 -0.972 7.129 1.00 0.00 N ATOM 1151 CA PRO A 81 17.754 -2.302 7.734 1.00 0.00 C ATOM 1152 C PRO A 81 18.420 -2.263 9.104 1.00 0.00 C ATOM 1153 O PRO A 81 19.005 -1.253 9.494 1.00 0.00 O ATOM 1154 CB PRO A 81 18.623 -3.072 6.740 1.00 0.00 C ATOM 1155 CG PRO A 81 19.462 -2.029 6.088 1.00 0.00 C ATOM 1156 CD PRO A 81 18.614 -0.787 6.029 1.00 0.00 C ATOM 0 HA PRO A 81 16.776 -2.752 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.238 -3.817 7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.013 -3.604 6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.374 -1.851 6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.765 -2.341 5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.212 0.114 6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.112 -0.690 5.067 1.00 0.00 H new ATOM 1164 N MET A 82 18.327 -3.372 9.828 1.00 0.00 N ATOM 1165 CA MET A 82 18.921 -3.470 11.157 1.00 0.00 C ATOM 1166 C MET A 82 20.434 -3.654 11.067 1.00 0.00 C ATOM 1167 O MET A 82 21.162 -3.342 12.010 1.00 0.00 O ATOM 1168 CB MET A 82 18.299 -4.633 11.931 1.00 0.00 C ATOM 1169 CG MET A 82 18.359 -5.959 11.189 1.00 0.00 C ATOM 1170 SD MET A 82 18.660 -7.357 12.288 1.00 0.00 S ATOM 1171 CE MET A 82 16.988 -7.929 12.575 1.00 0.00 C ATOM 0 H MET A 82 17.846 -4.216 9.518 1.00 0.00 H new ATOM 0 HA MET A 82 18.719 -2.539 11.687 1.00 0.00 H new ATOM 0 HB2 MET A 82 18.812 -4.738 12.887 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.258 -4.396 12.152 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.421 -6.116 10.657 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.148 -5.915 10.438 1.00 0.00 H new ATOM 0 HE1 MET A 82 17.008 -8.793 13.239 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.404 -7.131 13.035 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.532 -8.211 11.626 1.00 0.00 H new ATOM 1181 N ASP A 83 20.901 -4.162 9.930 1.00 0.00 N ATOM 1182 CA ASP A 83 22.327 -4.385 9.723 1.00 0.00 C ATOM 1183 C ASP A 83 23.045 -3.073 9.427 1.00 0.00 C ATOM 1184 O ASP A 83 24.147 -2.832 9.920 1.00 0.00 O ATOM 1185 CB ASP A 83 22.548 -5.371 8.575 1.00 0.00 C ATOM 1186 CG ASP A 83 21.800 -4.972 7.318 1.00 0.00 C ATOM 1187 OD1 ASP A 83 22.280 -4.066 6.604 1.00 0.00 O ATOM 1188 OD2 ASP A 83 20.734 -5.564 7.048 1.00 0.00 O ATOM 0 H ASP A 83 20.313 -4.426 9.139 1.00 0.00 H new ATOM 0 HA ASP A 83 22.741 -4.806 10.639 1.00 0.00 H new ATOM 0 HB2 ASP A 83 23.614 -5.436 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.226 -6.365 8.886 1.00 0.00 H new ATOM 1193 N GLY A 84 22.413 -2.228 8.620 1.00 0.00 N ATOM 1194 CA GLY A 84 23.006 -0.950 8.272 1.00 0.00 C ATOM 1195 C GLY A 84 22.923 -0.657 6.787 1.00 0.00 C ATOM 1196 O GLY A 84 22.656 -1.552 5.985 1.00 0.00 O ATOM 0 H GLY A 84 21.500 -2.405 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.502 -0.157 8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.051 -0.941 8.583 1.00 0.00 H new ATOM 1200 N ASP A 85 23.153 0.599 6.420 1.00 0.00 N ATOM 1201 CA ASP A 85 23.102 1.008 5.021 1.00 0.00 C ATOM 1202 C ASP A 85 21.710 0.779 4.436 1.00 0.00 C ATOM 1203 O ASP A 85 21.373 -0.335 4.036 1.00 0.00 O ATOM 1204 CB ASP A 85 24.144 0.240 4.205 1.00 0.00 C ATOM 1205 CG ASP A 85 25.461 0.984 4.101 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.446 2.230 4.173 1.00 0.00 O ATOM 1207 OD2 ASP A 85 26.507 0.320 3.946 1.00 0.00 O ATOM 0 H ASP A 85 23.376 1.351 7.072 1.00 0.00 H new ATOM 0 HA ASP A 85 23.326 2.074 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.315 -0.734 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.754 0.056 3.204 1.00 0.00 H new ATOM 1212 N PRO A 86 20.880 1.835 4.379 1.00 0.00 N ATOM 1213 CA PRO A 86 19.520 1.741 3.838 1.00 0.00 C ATOM 1214 C PRO A 86 19.496 1.145 2.435 1.00 0.00 C ATOM 1215 O PRO A 86 20.470 1.247 1.690 1.00 0.00 O ATOM 1216 CB PRO A 86 19.044 3.195 3.810 1.00 0.00 C ATOM 1217 CG PRO A 86 19.863 3.884 4.845 1.00 0.00 C ATOM 1218 CD PRO A 86 21.201 3.201 4.833 1.00 0.00 C ATOM 0 HA PRO A 86 18.888 1.085 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.193 3.641 2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 86 17.980 3.267 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 86 19.964 4.946 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.395 3.810 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.899 3.696 4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.661 3.199 5.821 1.00 0.00 H new ATOM 1226 N VAL A 87 18.377 0.522 2.081 1.00 0.00 N ATOM 1227 CA VAL A 87 18.227 -0.091 0.767 1.00 0.00 C ATOM 1228 C VAL A 87 16.870 0.242 0.157 1.00 0.00 C ATOM 1229 O VAL A 87 15.868 0.347 0.866 1.00 0.00 O ATOM 1230 CB VAL A 87 18.381 -1.622 0.840 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.803 -1.998 1.226 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.380 -2.214 1.820 1.00 0.00 C ATOM 0 H VAL A 87 17.561 0.428 2.686 1.00 0.00 H new ATOM 0 HA VAL A 87 19.017 0.317 0.136 1.00 0.00 H new ATOM 0 HB VAL A 87 18.176 -2.037 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.892 -3.083 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.497 -1.608 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.040 -1.572 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.504 -3.296 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.550 -1.794 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.367 -1.976 1.494 1.00 0.00 H new ATOM 1242 N GLU A 88 16.844 0.408 -1.161 1.00 0.00 N ATOM 1243 CA GLU A 88 15.609 0.729 -1.866 1.00 0.00 C ATOM 1244 C GLU A 88 14.614 -0.423 -1.772 1.00 0.00 C ATOM 1245 O GLU A 88 14.840 -1.498 -2.327 1.00 0.00 O ATOM 1246 CB GLU A 88 15.903 1.051 -3.334 1.00 0.00 C ATOM 1247 CG GLU A 88 15.696 2.514 -3.689 1.00 0.00 C ATOM 1248 CD GLU A 88 16.290 2.877 -5.036 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.442 2.474 -5.304 1.00 0.00 O ATOM 1250 OE2 GLU A 88 15.604 3.563 -5.823 1.00 0.00 O ATOM 0 H GLU A 88 17.664 0.326 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 88 15.166 1.605 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.933 0.773 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.262 0.438 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.629 2.735 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.146 3.138 -2.917 1.00 0.00 H new ATOM 1257 N ALA A 89 13.512 -0.189 -1.069 1.00 0.00 N ATOM 1258 CA ALA A 89 12.481 -1.206 -0.904 1.00 0.00 C ATOM 1259 C ALA A 89 11.265 -0.891 -1.767 1.00 0.00 C ATOM 1260 O ALA A 89 10.913 0.273 -1.958 1.00 0.00 O ATOM 1261 CB ALA A 89 12.080 -1.318 0.558 1.00 0.00 C ATOM 0 H ALA A 89 13.310 0.696 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 89 12.889 -2.163 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.309 -2.081 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.950 -1.594 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.693 -0.360 0.903 1.00 0.00 H new ATOM 1267 N ASN A 90 10.627 -1.933 -2.288 1.00 0.00 N ATOM 1268 CA ASN A 90 9.451 -1.763 -3.132 1.00 0.00 C ATOM 1269 C ASN A 90 8.413 -2.844 -2.847 1.00 0.00 C ATOM 1270 O ASN A 90 8.696 -4.037 -2.965 1.00 0.00 O ATOM 1271 CB ASN A 90 9.849 -1.787 -4.613 1.00 0.00 C ATOM 1272 CG ASN A 90 10.178 -3.182 -5.114 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.511 -3.706 -6.007 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.210 -3.790 -4.542 1.00 0.00 N ATOM 0 H ASN A 90 10.904 -2.903 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 90 9.007 -0.795 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.035 -1.375 -5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.713 -1.140 -4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.478 -4.728 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.735 -3.319 -3.805 1.00 0.00 H new ATOM 1281 N VAL A 91 7.210 -2.420 -2.475 1.00 0.00 N ATOM 1282 CA VAL A 91 6.132 -3.354 -2.179 1.00 0.00 C ATOM 1283 C VAL A 91 4.855 -2.971 -2.917 1.00 0.00 C ATOM 1284 O VAL A 91 4.451 -1.808 -2.919 1.00 0.00 O ATOM 1285 CB VAL A 91 5.838 -3.420 -0.667 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.338 -2.077 -0.155 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.832 -4.521 -0.366 1.00 0.00 C ATOM 0 H VAL A 91 6.958 -1.437 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 91 6.465 -4.335 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 91 6.767 -3.655 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.137 -2.147 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.097 -1.315 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.422 -1.806 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.637 -4.552 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.902 -4.320 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.235 -5.481 -0.690 1.00 0.00 H new ATOM 1297 N ASN A 92 4.221 -3.957 -3.540 1.00 0.00 N ATOM 1298 CA ASN A 92 2.989 -3.727 -4.277 1.00 0.00 C ATOM 1299 C ASN A 92 1.782 -3.875 -3.353 1.00 0.00 C ATOM 1300 O ASN A 92 1.448 -4.979 -2.927 1.00 0.00 O ATOM 1301 CB ASN A 92 2.901 -4.705 -5.458 1.00 0.00 C ATOM 1302 CG ASN A 92 1.477 -5.005 -5.887 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.590 -4.159 -5.774 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.255 -6.215 -6.382 1.00 0.00 N ATOM 0 H ASN A 92 4.542 -4.925 -3.548 1.00 0.00 H new ATOM 0 HA ASN A 92 2.989 -2.710 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.448 -4.291 -6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.395 -5.638 -5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.318 -6.477 -6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.021 -6.884 -6.457 1.00 0.00 H new ATOM 1311 N LEU A 93 1.131 -2.755 -3.047 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.039 -2.763 -2.173 1.00 0.00 C ATOM 1313 C LEU A 93 -1.043 -3.820 -2.620 1.00 0.00 C ATOM 1314 O LEU A 93 -1.654 -4.503 -1.798 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.703 -1.385 -2.161 1.00 0.00 C ATOM 1316 CG LEU A 93 -0.031 -0.352 -1.256 1.00 0.00 C ATOM 1317 CD1 LEU A 93 0.021 -0.853 0.179 1.00 0.00 C ATOM 1318 CD2 LEU A 93 1.368 -0.032 -1.761 1.00 0.00 C ATOM 0 H LEU A 93 1.394 -1.831 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 93 0.294 -3.006 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.720 -0.997 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.740 -1.501 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.623 0.563 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.503 -0.105 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.992 -1.032 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.590 -1.782 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.832 0.705 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.969 -0.941 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.307 0.370 -2.772 1.00 0.00 H new ATOM 1330 N SER A 94 -1.196 -3.957 -3.932 1.00 0.00 N ATOM 1331 CA SER A 94 -2.113 -4.936 -4.504 1.00 0.00 C ATOM 1332 C SER A 94 -1.731 -6.359 -4.094 1.00 0.00 C ATOM 1333 O SER A 94 -2.506 -7.294 -4.278 1.00 0.00 O ATOM 1334 CB SER A 94 -2.129 -4.820 -6.029 1.00 0.00 C ATOM 1335 OG SER A 94 -2.167 -3.464 -6.438 1.00 0.00 O ATOM 0 H SER A 94 -0.694 -3.399 -4.623 1.00 0.00 H new ATOM 0 HA SER A 94 -3.110 -4.726 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.244 -5.303 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.996 -5.348 -6.428 1.00 0.00 H new ATOM 0 HG SER A 94 -1.264 -3.085 -6.399 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.530 -6.522 -3.551 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.058 -7.836 -3.130 1.00 0.00 C ATOM 1343 C GLU A 95 -0.975 -8.443 -2.073 1.00 0.00 C ATOM 1344 O GLU A 95 -1.350 -9.611 -2.163 1.00 0.00 O ATOM 1345 CB GLU A 95 1.364 -7.740 -2.576 1.00 0.00 C ATOM 1346 CG GLU A 95 2.427 -7.573 -3.649 1.00 0.00 C ATOM 1347 CD GLU A 95 3.487 -8.656 -3.595 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.174 -9.771 -3.128 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.631 -8.389 -4.021 1.00 0.00 O ATOM 0 H GLU A 95 0.133 -5.763 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.064 -8.483 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.420 -6.897 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.581 -8.639 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.952 -7.583 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.902 -6.599 -3.535 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.320 -7.649 -1.064 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.179 -8.124 0.016 1.00 0.00 C ATOM 1358 C ARG A 96 -3.179 -7.056 0.445 1.00 0.00 C ATOM 1359 O ARG A 96 -3.454 -6.895 1.634 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.327 -8.542 1.215 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.382 -9.695 0.919 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.925 -11.006 1.458 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.445 -11.281 2.811 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.677 -12.418 3.463 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.380 -13.388 2.890 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.203 -12.587 4.690 1.00 0.00 N ATOM 0 H ARG A 96 -1.020 -6.679 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.738 -8.983 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.745 -7.684 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.985 -8.825 2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.231 -9.777 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.592 -9.492 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.015 -10.974 1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.630 -11.820 0.796 1.00 0.00 H new ATOM 0 HE ARG A 96 0.100 -10.559 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.745 -13.264 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.555 -14.257 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.339 -11.846 5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.381 -13.458 5.190 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.731 -6.334 -0.523 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.706 -5.294 -0.227 1.00 0.00 C ATOM 1382 C ILE A 97 -5.993 -5.531 -1.007 1.00 0.00 C ATOM 1383 O ILE A 97 -5.994 -5.518 -2.234 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.144 -3.895 -0.560 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.982 -3.559 0.379 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.233 -2.833 -0.460 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.401 -3.381 1.822 1.00 0.00 C ATOM 0 H ILE A 97 -3.521 -6.449 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.923 -5.336 0.840 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.777 -3.906 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.238 -4.353 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.500 -2.644 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.812 -1.856 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.033 -3.065 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.634 -2.817 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.526 -3.145 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.123 -2.567 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.856 -4.302 2.185 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.088 -5.744 -0.289 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.361 -5.985 -0.942 1.00 0.00 C ATOM 1401 C GLY A 98 -9.404 -4.937 -0.605 1.00 0.00 C ATOM 1402 O GLY A 98 -9.123 -3.979 0.115 1.00 0.00 O ATOM 0 H GLY A 98 -7.118 -5.754 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.211 -6.008 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.733 -6.967 -0.651 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.612 -5.125 -1.126 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.708 -4.196 -0.879 1.00 0.00 C ATOM 1408 C ASN A 99 -12.990 -4.952 -0.544 1.00 0.00 C ATOM 1409 O ASN A 99 -13.638 -5.516 -1.426 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.933 -3.301 -2.099 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.150 -4.100 -3.369 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.355 -4.976 -3.708 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.231 -3.800 -4.080 1.00 0.00 N ATOM 0 H ASN A 99 -10.857 -5.915 -1.723 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.439 -3.572 -0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.798 -2.662 -1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.073 -2.644 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.429 -4.304 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.863 -3.066 -3.761 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.349 -4.963 0.736 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.552 -5.654 1.187 1.00 0.00 C ATOM 1422 C ASP A 100 -15.739 -4.699 1.263 1.00 0.00 C ATOM 1423 O ASP A 100 -15.731 -3.744 2.040 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.312 -6.297 2.554 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.493 -7.127 3.017 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.720 -8.212 2.440 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -16.192 -6.693 3.957 1.00 0.00 O ATOM 0 H ASP A 100 -12.824 -4.501 1.479 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.785 -6.432 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.425 -6.928 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.109 -5.518 3.288 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.758 -4.965 0.451 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.957 -4.132 0.426 1.00 0.00 C ATOM 1434 C CYS A 101 -17.601 -2.668 0.184 1.00 0.00 C ATOM 1435 O CYS A 101 -18.285 -1.765 0.666 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.727 -4.270 1.740 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.486 -3.873 1.611 1.00 0.00 S ATOM 0 H CYS A 101 -16.778 -5.751 -0.199 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.587 -4.474 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.622 -5.292 2.104 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.272 -3.618 2.485 1.00 0.00 H new ATOM 0 HG CYS A 101 -21.051 -4.021 2.773 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.526 -2.441 -0.563 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.099 -1.086 -0.853 1.00 0.00 C ATOM 1445 C GLY A 102 -15.078 -0.571 0.145 1.00 0.00 C ATOM 1446 O GLY A 102 -14.395 0.419 -0.114 1.00 0.00 O ATOM 0 H GLY A 102 -15.943 -3.171 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.672 -1.050 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.967 -0.427 -0.852 1.00 0.00 H new ATOM 1450 N THR A 103 -14.974 -1.242 1.289 1.00 0.00 N ATOM 1451 CA THR A 103 -14.029 -0.844 2.326 1.00 0.00 C ATOM 1452 C THR A 103 -12.659 -1.467 2.081 1.00 0.00 C ATOM 1453 O THR A 103 -12.557 -2.595 1.598 1.00 0.00 O ATOM 1454 CB THR A 103 -14.549 -1.253 3.705 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.931 -0.964 3.826 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.834 -0.561 4.844 1.00 0.00 C ATOM 0 H THR A 103 -15.533 -2.063 1.520 1.00 0.00 H new ATOM 0 HA THR A 103 -13.927 0.241 2.292 1.00 0.00 H new ATOM 0 HB THR A 103 -14.362 -2.324 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.245 -1.234 4.714 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.252 -0.896 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.772 -0.805 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.962 0.518 4.752 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.609 -0.726 2.417 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.244 -1.204 2.232 1.00 0.00 C ATOM 1466 C LEU A 104 -9.894 -2.266 3.271 1.00 0.00 C ATOM 1467 O LEU A 104 -10.069 -2.056 4.471 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.258 -0.035 2.320 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.581 0.344 1.001 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.610 -0.745 0.569 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.622 0.597 -0.082 1.00 0.00 C ATOM 0 H LEU A 104 -11.677 0.209 2.819 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.172 -1.656 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.787 0.838 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.486 -0.285 3.048 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.018 1.265 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.137 -0.459 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.845 -0.875 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.151 -1.682 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.121 0.865 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.214 -0.305 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.277 1.412 0.226 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.399 -3.406 2.800 1.00 0.00 N ATOM 1484 CA ILE A 105 -9.023 -4.500 3.686 1.00 0.00 C ATOM 1485 C ILE A 105 -7.642 -5.041 3.332 1.00 0.00 C ATOM 1486 O ILE A 105 -7.055 -4.657 2.321 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.046 -5.651 3.627 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.147 -6.203 2.203 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.406 -5.176 4.114 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.309 -7.707 2.149 1.00 0.00 C ATOM 0 H ILE A 105 -9.249 -3.596 1.809 1.00 0.00 H new ATOM 0 HA ILE A 105 -9.004 -4.096 4.698 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.706 -6.452 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.994 -5.736 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.252 -5.922 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.118 -6.000 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.323 -4.828 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.754 -4.359 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.374 -8.029 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.450 -8.183 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.219 -7.994 2.675 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.127 -5.934 4.172 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.816 -6.525 3.948 1.00 0.00 C ATOM 1504 C PHE A 106 -5.917 -8.047 3.871 1.00 0.00 C ATOM 1505 O PHE A 106 -6.641 -8.673 4.645 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.854 -6.104 5.064 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.698 -7.043 5.259 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.819 -8.135 6.101 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.498 -6.836 4.600 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.762 -9.006 6.285 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.437 -7.702 4.779 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.568 -8.788 5.623 1.00 0.00 C ATOM 0 H PHE A 106 -7.600 -6.263 5.014 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.428 -6.164 2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.468 -5.109 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.409 -6.028 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.750 -8.308 6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.391 -5.989 3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.868 -9.855 6.944 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.506 -7.530 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.739 -9.465 5.765 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.184 -8.635 2.931 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.188 -10.081 2.750 1.00 0.00 C ATOM 1524 C LEU A 107 -4.533 -10.780 3.937 1.00 0.00 C ATOM 1525 O LEU A 107 -3.309 -10.789 4.067 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.456 -10.452 1.459 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.320 -10.443 0.197 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -5.628 -9.015 -0.227 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.630 -11.202 -0.929 1.00 0.00 C ATOM 0 H LEU A 107 -4.579 -8.131 2.282 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.224 -10.413 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.627 -9.759 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.024 -11.446 1.578 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.262 -10.945 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.244 -9.027 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.165 -8.506 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.696 -8.487 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.260 -11.185 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.673 -10.730 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.463 -12.235 -0.623 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.357 -11.364 4.801 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.859 -12.066 5.978 1.00 0.00 C ATOM 1543 C ALA A 108 -5.345 -13.511 6.001 1.00 0.00 C ATOM 1544 O ALA A 108 -4.695 -14.342 6.670 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.289 -11.341 7.244 1.00 0.00 C ATOM 1546 OXT ALA A 108 -6.372 -13.799 5.352 1.00 0.00 O ATOM 0 H ALA A 108 -6.373 -11.365 4.708 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.770 -12.078 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.911 -11.875 8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.888 -10.328 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.377 -11.300 7.288 1.00 0.00 H new TER 1552 ALA A 108