USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 695 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= -0.732 USER MOD Set 1.2: A 61 ASN :FLIP amide:sc= -1.52 F(o=-3.4,f=-2.3) USER MOD Set 2.1: A 8 SER OG : rot 116:sc= -2.21! USER MOD Set 2.2: A 23 CYS SG : rot 60:sc= -0.579 USER MOD Set 3.1: A 5 HIS : no HE2:sc= -4.2! X(o=-11!,f=-12) USER MOD Set 3.2: A 92 ASN : amide:sc= -6.22! C(o=-11!,f=-24!) USER MOD Set 3.3: A 94 SER OG : rot -16:sc= -1.02 USER MOD Single : A 3 ASN : amide:sc= -0.434 K(o=-0.43,f=-5.8!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.37 F(o=-2.8,f=-1.4) USER MOD Single : A 10 ASN :FLIP amide:sc= -5.47! C(o=-8.4!,f=-5.5!) USER MOD Single : A 17 HIS : no HE2:sc= -6.37! C(o=-6.4!,f=-11!) USER MOD Single : A 20 HIS : no HE2:sc= -8.56! C(o=-8.6!,f=-10!) USER MOD Single : A 25 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.6!) USER MOD Single : A 33 SER OG : rot 133:sc= 0.102 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 84:sc= 0.65 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.11! C(o=-6.1!,f=-16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -44:sc= 0.0813 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) 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 :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.783 K(o=0.78,f=-0.12) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.38) USER MOD Single : A 99 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.4!) USER MOD Single : A 101 CYS SG : rot -51:sc= -0.169 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.611 -8.713 -4.221 1.00 0.00 N ATOM 21 CA GLY A 2 -5.152 -7.386 -3.992 1.00 0.00 C ATOM 22 C GLY A 2 -5.710 -6.765 -5.249 1.00 0.00 C ATOM 23 O GLY A 2 -5.240 -5.725 -5.711 1.00 0.00 O ATOM 0 HA2 GLY A 2 -5.938 -7.442 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.370 -6.743 -3.589 1.00 0.00 H new ATOM 27 N ASN A 3 -6.734 -7.406 -5.784 1.00 0.00 N ATOM 28 CA ASN A 3 -7.408 -6.936 -6.983 1.00 0.00 C ATOM 29 C ASN A 3 -8.041 -5.568 -6.750 1.00 0.00 C ATOM 30 O ASN A 3 -8.438 -4.892 -7.698 1.00 0.00 O ATOM 31 CB ASN A 3 -8.473 -7.940 -7.425 1.00 0.00 C ATOM 32 CG ASN A 3 -9.433 -8.296 -6.309 1.00 0.00 C ATOM 33 OD1 ASN A 3 -9.199 -7.974 -5.144 1.00 0.00 O ATOM 34 ND2 ASN A 3 -10.524 -8.965 -6.661 1.00 0.00 N ATOM 0 H ASN A 3 -7.122 -8.267 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.664 -6.841 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.033 -7.525 -8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.986 -8.847 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.209 -9.233 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.678 -9.211 -7.639 1.00 0.00 H new ATOM 41 N PHE A 4 -8.165 -5.175 -5.481 1.00 0.00 N ATOM 42 CA PHE A 4 -8.786 -3.902 -5.133 1.00 0.00 C ATOM 43 C PHE A 4 -8.267 -2.770 -6.018 1.00 0.00 C ATOM 44 O PHE A 4 -9.001 -1.836 -6.336 1.00 0.00 O ATOM 45 CB PHE A 4 -8.528 -3.571 -3.657 1.00 0.00 C ATOM 46 CG PHE A 4 -7.303 -2.726 -3.425 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.040 -3.222 -3.707 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.417 -1.436 -2.932 1.00 0.00 C ATOM 49 CE1 PHE A 4 -4.915 -2.447 -3.503 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.295 -0.656 -2.725 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.042 -1.163 -3.011 1.00 0.00 C ATOM 0 H PHE A 4 -7.844 -5.720 -4.681 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.859 -3.998 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.397 -3.051 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.426 -4.502 -3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.934 -4.226 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.394 -1.035 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.937 -2.845 -3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.398 0.348 -2.340 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.163 -0.556 -2.850 1.00 0.00 H new ATOM 61 N HIS A 5 -7.005 -2.860 -6.413 1.00 0.00 N ATOM 62 CA HIS A 5 -6.401 -1.842 -7.260 1.00 0.00 C ATOM 63 C HIS A 5 -7.076 -1.801 -8.628 1.00 0.00 C ATOM 64 O HIS A 5 -7.259 -0.731 -9.211 1.00 0.00 O ATOM 65 CB HIS A 5 -4.898 -2.106 -7.410 1.00 0.00 C ATOM 66 CG HIS A 5 -4.542 -2.993 -8.566 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.223 -2.506 -9.816 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.459 -4.342 -8.658 1.00 0.00 C ATOM 69 CE1 HIS A 5 -3.960 -3.515 -10.627 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.095 -4.640 -9.948 1.00 0.00 N ATOM 0 H HIS A 5 -6.381 -3.626 -6.161 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.542 -0.871 -6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.383 -1.152 -7.526 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.527 -2.559 -6.491 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.195 -1.520 -10.074 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.645 -5.051 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.682 -3.434 -11.667 1.00 0.00 H new ATOM 79 N GLU A 6 -7.438 -2.973 -9.137 1.00 0.00 N ATOM 80 CA GLU A 6 -8.086 -3.073 -10.438 1.00 0.00 C ATOM 81 C GLU A 6 -9.569 -2.715 -10.351 1.00 0.00 C ATOM 82 O GLU A 6 -10.192 -2.372 -11.356 1.00 0.00 O ATOM 83 CB GLU A 6 -7.911 -4.485 -11.006 1.00 0.00 C ATOM 84 CG GLU A 6 -8.760 -5.545 -10.315 1.00 0.00 C ATOM 85 CD GLU A 6 -9.519 -6.416 -11.297 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.977 -5.885 -12.330 1.00 0.00 O ATOM 87 OE2 GLU A 6 -9.655 -7.629 -11.032 1.00 0.00 O ATOM 0 H GLU A 6 -7.293 -3.867 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.610 -2.357 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.160 -4.471 -12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.861 -4.768 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.118 -6.174 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.468 -5.058 -9.645 1.00 0.00 H new ATOM 94 N SER A 7 -10.130 -2.799 -9.148 1.00 0.00 N ATOM 95 CA SER A 7 -11.540 -2.485 -8.942 1.00 0.00 C ATOM 96 C SER A 7 -11.714 -1.225 -8.095 1.00 0.00 C ATOM 97 O SER A 7 -12.796 -0.972 -7.565 1.00 0.00 O ATOM 98 CB SER A 7 -12.253 -3.664 -8.277 1.00 0.00 C ATOM 99 OG SER A 7 -11.333 -4.498 -7.595 1.00 0.00 O ATOM 0 H SER A 7 -9.632 -3.081 -8.304 1.00 0.00 H new ATOM 0 HA SER A 7 -11.985 -2.299 -9.919 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.000 -3.292 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.784 -4.244 -9.032 1.00 0.00 H new ATOM 0 HG SER A 7 -11.814 -5.243 -7.178 1.00 0.00 H new ATOM 105 N SER A 8 -10.650 -0.435 -7.971 1.00 0.00 N ATOM 106 CA SER A 8 -10.706 0.796 -7.190 1.00 0.00 C ATOM 107 C SER A 8 -10.201 1.981 -8.005 1.00 0.00 C ATOM 108 O SER A 8 -9.439 1.814 -8.957 1.00 0.00 O ATOM 109 CB SER A 8 -9.878 0.660 -5.910 1.00 0.00 C ATOM 110 OG SER A 8 -9.901 1.861 -5.158 1.00 0.00 O ATOM 0 H SER A 8 -9.744 -0.625 -8.399 1.00 0.00 H new ATOM 0 HA SER A 8 -11.748 0.974 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.269 -0.159 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.849 0.406 -6.164 1.00 0.00 H new ATOM 0 HG SER A 8 -10.343 1.700 -4.298 1.00 0.00 H new ATOM 116 N ASN A 9 -10.628 3.179 -7.620 1.00 0.00 N ATOM 117 CA ASN A 9 -10.217 4.393 -8.308 1.00 0.00 C ATOM 118 C ASN A 9 -9.510 5.340 -7.342 1.00 0.00 C ATOM 119 O ASN A 9 -9.656 5.227 -6.126 1.00 0.00 O ATOM 120 CB ASN A 9 -11.429 5.080 -8.943 1.00 0.00 C ATOM 121 CG ASN A 9 -11.115 6.473 -9.452 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.358 7.472 -8.613 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.660 6.648 -10.582 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.259 3.333 -6.834 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.517 4.124 -9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.795 4.470 -9.769 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.233 5.139 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.489 5.849 -11.192 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.454 7.592 -10.908 1.00 0.00 H new ATOM 130 N ASN A 10 -8.740 6.264 -7.898 1.00 0.00 N ATOM 131 CA ASN A 10 -7.997 7.233 -7.101 1.00 0.00 C ATOM 132 C ASN A 10 -7.067 6.521 -6.111 1.00 0.00 C ATOM 133 O ASN A 10 -7.140 6.717 -4.903 1.00 0.00 O ATOM 134 CB ASN A 10 -8.976 8.212 -6.411 1.00 0.00 C ATOM 135 CG ASN A 10 -9.205 7.962 -4.932 1.00 0.00 C ATOM 136 OD1 ASN A 10 -10.244 7.202 -4.623 1.00 0.00 O flip ATOM 137 ND2 ASN A 10 -8.469 8.462 -4.080 1.00 0.00 N flip ATOM 0 H ASN A 10 -8.612 6.364 -8.905 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.356 7.826 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.599 9.227 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.936 8.162 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.679 9.041 -4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.649 8.297 -3.090 1.00 0.00 H new ATOM 144 N ILE A 11 -6.179 5.690 -6.647 1.00 0.00 N ATOM 145 CA ILE A 11 -5.228 4.953 -5.820 1.00 0.00 C ATOM 146 C ILE A 11 -3.926 5.733 -5.674 1.00 0.00 C ATOM 147 O ILE A 11 -3.230 5.985 -6.658 1.00 0.00 O ATOM 148 CB ILE A 11 -4.908 3.557 -6.402 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.076 3.026 -7.237 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.575 2.582 -5.281 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.347 2.831 -6.441 1.00 0.00 C ATOM 0 H ILE A 11 -6.097 5.510 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.699 4.823 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.042 3.654 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.272 3.719 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.789 2.075 -7.686 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.352 1.603 -5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.708 2.945 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.427 2.499 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.132 2.453 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.168 2.115 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.659 3.784 -6.014 1.00 0.00 H new ATOM 163 N TRP A 12 -3.603 6.117 -4.445 1.00 0.00 N ATOM 164 CA TRP A 12 -2.383 6.872 -4.177 1.00 0.00 C ATOM 165 C TRP A 12 -2.016 6.812 -2.698 1.00 0.00 C ATOM 166 O TRP A 12 -2.618 6.061 -1.930 1.00 0.00 O ATOM 167 CB TRP A 12 -2.556 8.329 -4.615 1.00 0.00 C ATOM 168 CG TRP A 12 -3.626 9.053 -3.858 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.967 8.803 -3.896 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.446 10.145 -2.950 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.633 9.674 -3.067 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.720 10.508 -2.475 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.330 10.852 -2.492 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.909 11.545 -1.565 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.519 11.882 -1.589 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.800 12.219 -1.133 1.00 0.00 C ATOM 0 H TRP A 12 -4.167 5.919 -3.619 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.573 6.420 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.610 8.855 -4.485 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.792 8.356 -5.679 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.436 8.033 -4.491 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.642 9.696 -2.917 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.339 10.598 -2.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.896 11.808 -1.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.665 12.436 -1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.914 13.027 -0.426 1.00 0.00 H new ATOM 187 N LEU A 13 -1.024 7.604 -2.304 1.00 0.00 N ATOM 188 CA LEU A 13 -0.578 7.636 -0.917 1.00 0.00 C ATOM 189 C LEU A 13 -0.309 9.066 -0.458 1.00 0.00 C ATOM 190 O LEU A 13 0.183 9.894 -1.225 1.00 0.00 O ATOM 191 CB LEU A 13 0.684 6.787 -0.747 1.00 0.00 C ATOM 192 CG LEU A 13 0.797 6.059 0.592 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.392 5.131 0.798 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.103 5.282 0.667 1.00 0.00 C ATOM 0 H LEU A 13 -0.514 8.232 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.374 7.223 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.718 6.049 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.556 7.430 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 13 0.793 6.802 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.294 4.621 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.314 5.713 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.421 4.393 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.167 4.770 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.137 4.549 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.942 5.970 0.566 1.00 0.00 H new ATOM 206 N GLU A 14 -0.636 9.347 0.800 1.00 0.00 N ATOM 207 CA GLU A 14 -0.431 10.675 1.367 1.00 0.00 C ATOM 208 C GLU A 14 0.638 10.635 2.454 1.00 0.00 C ATOM 209 O GLU A 14 0.523 9.888 3.425 1.00 0.00 O ATOM 210 CB GLU A 14 -1.745 11.220 1.938 1.00 0.00 C ATOM 211 CG GLU A 14 -1.583 12.513 2.723 1.00 0.00 C ATOM 212 CD GLU A 14 -2.895 13.018 3.291 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.885 13.085 2.532 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.932 13.348 4.495 1.00 0.00 O ATOM 0 H GLU A 14 -1.044 8.672 1.446 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.092 11.339 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.444 11.388 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.189 10.465 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.876 12.353 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.154 13.277 2.074 1.00 0.00 H new ATOM 221 N ASP A 15 1.680 11.439 2.278 1.00 0.00 N ATOM 222 CA ASP A 15 2.776 11.495 3.238 1.00 0.00 C ATOM 223 C ASP A 15 3.443 10.128 3.392 1.00 0.00 C ATOM 224 O ASP A 15 4.153 9.881 4.367 1.00 0.00 O ATOM 225 CB ASP A 15 2.270 11.990 4.596 1.00 0.00 C ATOM 226 CG ASP A 15 2.906 13.303 5.008 1.00 0.00 C ATOM 227 OD1 ASP A 15 4.072 13.543 4.629 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.238 14.092 5.709 1.00 0.00 O ATOM 0 H ASP A 15 1.789 12.062 1.478 1.00 0.00 H new ATOM 0 HA ASP A 15 3.519 12.196 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.188 12.111 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.478 11.235 5.355 1.00 0.00 H new ATOM 233 N GLY A 16 3.217 9.246 2.421 1.00 0.00 N ATOM 234 CA GLY A 16 3.808 7.923 2.467 1.00 0.00 C ATOM 235 C GLY A 16 3.389 7.126 3.687 1.00 0.00 C ATOM 236 O GLY A 16 4.236 6.646 4.441 1.00 0.00 O ATOM 0 H GLY A 16 2.634 9.426 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.527 7.375 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.894 8.016 2.457 1.00 0.00 H new ATOM 240 N HIS A 17 2.082 6.974 3.879 1.00 0.00 N ATOM 241 CA HIS A 17 1.562 6.216 5.013 1.00 0.00 C ATOM 242 C HIS A 17 0.039 6.097 4.956 1.00 0.00 C ATOM 243 O HIS A 17 -0.527 5.094 5.391 1.00 0.00 O ATOM 244 CB HIS A 17 2.007 6.850 6.337 1.00 0.00 C ATOM 245 CG HIS A 17 1.299 8.124 6.682 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.189 9.189 5.813 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.670 8.503 7.820 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.525 10.168 6.402 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.199 9.776 7.620 1.00 0.00 N ATOM 0 H HIS A 17 1.366 7.364 3.267 1.00 0.00 H new ATOM 0 HA HIS A 17 1.974 5.209 4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.849 6.131 7.141 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.078 7.045 6.290 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.562 9.217 4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.560 7.913 8.718 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.289 11.126 5.962 1.00 0.00 H new ATOM 258 N ILE A 18 -0.621 7.117 4.414 1.00 0.00 N ATOM 259 CA ILE A 18 -2.076 7.108 4.301 1.00 0.00 C ATOM 260 C ILE A 18 -2.510 6.794 2.871 1.00 0.00 C ATOM 261 O ILE A 18 -2.086 7.455 1.923 1.00 0.00 O ATOM 262 CB ILE A 18 -2.687 8.457 4.737 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.376 8.722 6.212 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.192 8.472 4.496 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.151 7.839 7.168 1.00 0.00 C ATOM 0 H ILE A 18 -0.173 7.957 4.048 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.443 6.328 4.968 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.241 9.250 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.309 8.576 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.594 9.766 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.601 9.432 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.392 8.322 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.660 7.672 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.877 8.085 8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.220 8.002 7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.915 6.793 6.970 1.00 0.00 H new ATOM 277 N LEU A 19 -3.357 5.780 2.727 1.00 0.00 N ATOM 278 CA LEU A 19 -3.851 5.373 1.416 1.00 0.00 C ATOM 279 C LEU A 19 -5.311 5.773 1.233 1.00 0.00 C ATOM 280 O LEU A 19 -6.105 5.711 2.171 1.00 0.00 O ATOM 281 CB LEU A 19 -3.704 3.860 1.241 1.00 0.00 C ATOM 282 CG LEU A 19 -4.255 3.304 -0.073 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.504 2.045 -0.475 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.745 3.021 0.052 1.00 0.00 C ATOM 0 H LEU A 19 -3.716 5.224 3.503 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.255 5.883 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.647 3.602 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.210 3.363 2.069 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.111 4.053 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.909 1.663 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.447 2.278 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.616 1.290 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.121 2.626 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.911 2.290 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.272 3.944 0.294 1.00 0.00 H new ATOM 296 N HIS A 20 -5.657 6.178 0.016 1.00 0.00 N ATOM 297 CA HIS A 20 -7.023 6.582 -0.298 1.00 0.00 C ATOM 298 C HIS A 20 -7.445 6.020 -1.650 1.00 0.00 C ATOM 299 O HIS A 20 -6.694 6.088 -2.622 1.00 0.00 O ATOM 300 CB HIS A 20 -7.161 8.111 -0.303 1.00 0.00 C ATOM 301 CG HIS A 20 -5.996 8.832 0.301 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.722 8.769 -0.221 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.916 9.634 1.390 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.909 9.500 0.519 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.608 10.036 1.502 1.00 0.00 N ATOM 0 H HIS A 20 -5.010 6.235 -0.770 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.676 6.180 0.477 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.291 8.450 -1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.065 8.385 0.240 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.450 8.240 -1.050 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.729 9.906 2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.851 9.636 0.349 1.00 0.00 H new ATOM 314 N ALA A 21 -8.647 5.461 -1.701 1.00 0.00 N ATOM 315 CA ALA A 21 -9.172 4.880 -2.931 1.00 0.00 C ATOM 316 C ALA A 21 -10.660 4.577 -2.790 1.00 0.00 C ATOM 317 O ALA A 21 -11.121 4.196 -1.714 1.00 0.00 O ATOM 318 CB ALA A 21 -8.408 3.612 -3.279 1.00 0.00 C ATOM 0 H ALA A 21 -9.279 5.397 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.043 5.603 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.809 3.187 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.353 3.849 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.514 2.890 -2.470 1.00 0.00 H new ATOM 324 N GLU A 22 -11.410 4.735 -3.876 1.00 0.00 N ATOM 325 CA GLU A 22 -12.842 4.460 -3.848 1.00 0.00 C ATOM 326 C GLU A 22 -13.143 3.113 -4.497 1.00 0.00 C ATOM 327 O GLU A 22 -13.027 2.954 -5.711 1.00 0.00 O ATOM 328 CB GLU A 22 -13.628 5.577 -4.545 1.00 0.00 C ATOM 329 CG GLU A 22 -13.182 5.854 -5.972 1.00 0.00 C ATOM 330 CD GLU A 22 -14.347 6.137 -6.901 1.00 0.00 C ATOM 331 OE1 GLU A 22 -15.236 6.925 -6.515 1.00 0.00 O ATOM 332 OE2 GLU A 22 -14.372 5.571 -8.014 1.00 0.00 O ATOM 0 H GLU A 22 -11.054 5.049 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.157 4.421 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.685 5.313 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.532 6.493 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.502 6.706 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.623 4.997 -6.347 1.00 0.00 H new ATOM 339 N CYS A 23 -13.520 2.141 -3.673 1.00 0.00 N ATOM 340 CA CYS A 23 -13.829 0.802 -4.162 1.00 0.00 C ATOM 341 C CYS A 23 -15.332 0.546 -4.138 1.00 0.00 C ATOM 342 O CYS A 23 -16.030 0.974 -3.219 1.00 0.00 O ATOM 343 CB CYS A 23 -13.109 -0.253 -3.318 1.00 0.00 C ATOM 344 SG CYS A 23 -11.400 0.170 -2.901 1.00 0.00 S ATOM 0 H CYS A 23 -13.619 2.255 -2.664 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.482 0.732 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.669 -0.408 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.116 -1.200 -3.858 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.380 1.280 -2.224 1.00 0.00 H new ATOM 350 N GLY A 24 -15.823 -0.157 -5.153 1.00 0.00 N ATOM 351 CA GLY A 24 -17.240 -0.462 -5.227 1.00 0.00 C ATOM 352 C GLY A 24 -17.599 -1.722 -4.466 1.00 0.00 C ATOM 353 O GLY A 24 -16.717 -2.476 -4.054 1.00 0.00 O ATOM 0 H GLY A 24 -15.265 -0.521 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.811 0.376 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.530 -0.576 -6.271 1.00 0.00 H new ATOM 357 N ASN A 25 -18.894 -1.955 -4.276 1.00 0.00 N ATOM 358 CA ASN A 25 -19.357 -3.138 -3.557 1.00 0.00 C ATOM 359 C ASN A 25 -20.082 -4.095 -4.499 1.00 0.00 C ATOM 360 O ASN A 25 -19.956 -5.314 -4.380 1.00 0.00 O ATOM 361 CB ASN A 25 -20.279 -2.752 -2.390 1.00 0.00 C ATOM 362 CG ASN A 25 -20.657 -1.283 -2.389 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.225 -0.519 -1.527 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.469 -0.883 -3.359 1.00 0.00 N ATOM 0 H ASN A 25 -19.639 -1.343 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.479 -3.641 -3.151 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.186 -3.354 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.785 -2.994 -1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.759 0.093 -3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.803 -1.552 -4.053 1.00 0.00 H new ATOM 433 N VAL A 31 -17.398 3.317 -2.786 1.00 0.00 N ATOM 434 CA VAL A 31 -17.229 3.678 -1.383 1.00 0.00 C ATOM 435 C VAL A 31 -15.806 4.149 -1.097 1.00 0.00 C ATOM 436 O VAL A 31 -14.852 3.380 -1.215 1.00 0.00 O ATOM 437 CB VAL A 31 -17.555 2.492 -0.453 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.754 2.973 0.976 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.784 1.741 -0.946 1.00 0.00 C ATOM 0 HA VAL A 31 -17.926 4.493 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.710 1.804 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.983 2.122 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.843 3.457 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.579 3.685 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.995 0.909 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.639 2.417 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.599 1.359 -1.950 1.00 0.00 H new ATOM 449 N GLU A 32 -15.672 5.415 -0.715 1.00 0.00 N ATOM 450 CA GLU A 32 -14.370 5.987 -0.407 1.00 0.00 C ATOM 451 C GLU A 32 -13.758 5.315 0.817 1.00 0.00 C ATOM 452 O GLU A 32 -14.298 5.402 1.920 1.00 0.00 O ATOM 453 CB GLU A 32 -14.504 7.490 -0.163 1.00 0.00 C ATOM 454 CG GLU A 32 -13.245 8.268 -0.494 1.00 0.00 C ATOM 455 CD GLU A 32 -13.370 9.744 -0.172 1.00 0.00 C ATOM 456 OE1 GLU A 32 -14.110 10.085 0.774 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.726 10.559 -0.866 1.00 0.00 O ATOM 0 H GLU A 32 -16.452 6.064 -0.612 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.711 5.818 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.329 7.876 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.763 7.659 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.406 7.848 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.017 8.149 -1.553 1.00 0.00 H new ATOM 464 N SER A 33 -12.628 4.645 0.617 1.00 0.00 N ATOM 465 CA SER A 33 -11.944 3.958 1.706 1.00 0.00 C ATOM 466 C SER A 33 -10.503 4.437 1.837 1.00 0.00 C ATOM 467 O SER A 33 -9.958 5.059 0.925 1.00 0.00 O ATOM 468 CB SER A 33 -11.971 2.447 1.477 1.00 0.00 C ATOM 469 OG SER A 33 -13.301 1.972 1.369 1.00 0.00 O ATOM 0 H SER A 33 -12.167 4.563 -0.289 1.00 0.00 H new ATOM 0 HA SER A 33 -12.468 4.190 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.420 2.204 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.467 1.942 2.301 1.00 0.00 H new ATOM 0 HG SER A 33 -13.374 1.377 0.593 1.00 0.00 H new ATOM 475 N THR A 34 -9.891 4.142 2.979 1.00 0.00 N ATOM 476 CA THR A 34 -8.512 4.539 3.236 1.00 0.00 C ATOM 477 C THR A 34 -7.826 3.537 4.158 1.00 0.00 C ATOM 478 O THR A 34 -8.419 3.066 5.129 1.00 0.00 O ATOM 479 CB THR A 34 -8.469 5.936 3.855 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.949 5.909 5.188 1.00 0.00 O ATOM 481 CG2 THR A 34 -9.289 6.955 3.092 1.00 0.00 C ATOM 0 H THR A 34 -10.330 3.628 3.743 1.00 0.00 H new ATOM 0 HA THR A 34 -7.978 4.557 2.286 1.00 0.00 H new ATOM 0 HB THR A 34 -7.422 6.236 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.912 6.812 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.215 7.924 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.911 7.036 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.332 6.639 3.068 1.00 0.00 H new ATOM 489 N LEU A 35 -6.575 3.211 3.848 1.00 0.00 N ATOM 490 CA LEU A 35 -5.813 2.259 4.649 1.00 0.00 C ATOM 491 C LEU A 35 -4.506 2.873 5.140 1.00 0.00 C ATOM 492 O LEU A 35 -3.810 3.560 4.393 1.00 0.00 O ATOM 493 CB LEU A 35 -5.520 0.998 3.835 1.00 0.00 C ATOM 494 CG LEU A 35 -5.017 -0.197 4.652 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.079 -1.283 4.724 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.729 -0.748 4.056 1.00 0.00 C ATOM 0 H LEU A 35 -6.068 3.591 3.049 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.415 1.995 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.429 0.703 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.776 1.239 3.075 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.808 0.145 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.702 -2.122 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.976 -0.884 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.322 -1.622 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.387 -1.596 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.912 -1.072 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.965 0.029 4.060 1.00 0.00 H new ATOM 508 N ASP A 36 -4.178 2.611 6.401 1.00 0.00 N ATOM 509 CA ASP A 36 -2.952 3.126 6.998 1.00 0.00 C ATOM 510 C ASP A 36 -1.866 2.060 6.991 1.00 0.00 C ATOM 511 O ASP A 36 -2.053 0.963 7.509 1.00 0.00 O ATOM 512 CB ASP A 36 -3.216 3.596 8.429 1.00 0.00 C ATOM 513 CG ASP A 36 -2.035 4.342 9.020 1.00 0.00 C ATOM 514 OD1 ASP A 36 -0.921 3.778 9.027 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.225 5.489 9.475 1.00 0.00 O ATOM 0 H ASP A 36 -4.746 2.044 7.030 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.611 3.975 6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.093 4.243 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.448 2.734 9.055 1.00 0.00 H new ATOM 520 N LEU A 37 -0.734 2.386 6.391 1.00 0.00 N ATOM 521 CA LEU A 37 0.389 1.459 6.319 1.00 0.00 C ATOM 522 C LEU A 37 1.285 1.602 7.535 1.00 0.00 C ATOM 523 O LEU A 37 1.947 0.651 7.951 1.00 0.00 O ATOM 524 CB LEU A 37 1.197 1.698 5.057 1.00 0.00 C ATOM 525 CG LEU A 37 0.386 2.191 3.868 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.165 3.246 3.119 1.00 0.00 C ATOM 527 CD2 LEU A 37 0.011 1.025 2.973 1.00 0.00 C ATOM 0 H LEU A 37 -0.565 3.288 5.945 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.014 0.446 6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.978 2.427 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.696 0.769 4.780 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.540 2.646 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.580 3.595 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.375 4.084 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.104 2.821 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.569 1.389 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.917 0.538 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.584 0.309 3.539 1.00 0.00 H new ATOM 539 N ASP A 38 1.298 2.804 8.106 1.00 0.00 N ATOM 540 CA ASP A 38 2.111 3.080 9.282 1.00 0.00 C ATOM 541 C ASP A 38 1.759 2.127 10.417 1.00 0.00 C ATOM 542 O ASP A 38 2.475 2.045 11.414 1.00 0.00 O ATOM 543 CB ASP A 38 1.915 4.528 9.735 1.00 0.00 C ATOM 544 CG ASP A 38 3.000 4.986 10.691 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.167 5.088 10.259 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.681 5.242 11.871 1.00 0.00 O ATOM 0 H ASP A 38 0.755 3.600 7.772 1.00 0.00 H new ATOM 0 HA ASP A 38 3.157 2.930 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.904 5.181 8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.943 4.626 10.219 1.00 0.00 H new ATOM 551 N TYR A 39 0.653 1.405 10.260 1.00 0.00 N ATOM 552 CA TYR A 39 0.219 0.458 11.281 1.00 0.00 C ATOM 553 C TYR A 39 -0.077 -0.922 10.685 1.00 0.00 C ATOM 554 O TYR A 39 -0.475 -1.840 11.403 1.00 0.00 O ATOM 555 CB TYR A 39 -1.004 1.010 12.027 1.00 0.00 C ATOM 556 CG TYR A 39 -2.337 0.589 11.448 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.564 0.632 10.081 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.367 0.152 12.271 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.781 0.251 9.547 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.587 -0.232 11.746 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.788 -0.180 10.383 1.00 0.00 C ATOM 562 OH TYR A 39 -6.001 -0.560 9.855 1.00 0.00 O ATOM 0 H TYR A 39 0.046 1.457 9.442 1.00 0.00 H new ATOM 0 HA TYR A 39 1.035 0.331 11.992 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.956 0.686 13.067 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.951 2.099 12.029 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.777 0.969 9.422 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.212 0.111 13.339 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.942 0.291 8.480 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.377 -0.571 12.399 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.954 -1.496 9.569 1.00 0.00 H new ATOM 572 N TYR A 40 0.123 -1.067 9.376 1.00 0.00 N ATOM 573 CA TYR A 40 -0.121 -2.340 8.704 1.00 0.00 C ATOM 574 C TYR A 40 1.160 -2.889 8.076 1.00 0.00 C ATOM 575 O TYR A 40 1.291 -4.095 7.871 1.00 0.00 O ATOM 576 CB TYR A 40 -1.201 -2.177 7.631 1.00 0.00 C ATOM 577 CG TYR A 40 -2.558 -2.705 8.047 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.985 -2.623 9.367 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.412 -3.285 7.117 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.223 -3.104 9.748 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.652 -3.767 7.491 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.053 -3.675 8.807 1.00 0.00 C ATOM 583 OH TYR A 40 -6.286 -4.154 9.182 1.00 0.00 O ATOM 0 H TYR A 40 0.452 -0.321 8.763 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.466 -3.052 9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.294 -1.121 7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.882 -2.694 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.338 -2.176 10.107 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.102 -3.360 6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.539 -3.033 10.778 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.304 -4.214 6.755 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.745 -4.523 8.399 1.00 0.00 H new ATOM 593 N ILE A 41 2.103 -1.999 7.773 1.00 0.00 N ATOM 594 CA ILE A 41 3.368 -2.403 7.169 1.00 0.00 C ATOM 595 C ILE A 41 4.551 -1.954 8.024 1.00 0.00 C ATOM 596 O ILE A 41 4.535 -0.871 8.606 1.00 0.00 O ATOM 597 CB ILE A 41 3.518 -1.828 5.745 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.459 -2.429 4.820 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.915 -2.095 5.197 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.977 -1.472 3.755 1.00 0.00 C ATOM 0 H ILE A 41 2.014 -0.996 7.936 1.00 0.00 H new ATOM 0 HA ILE A 41 3.363 -3.491 7.110 1.00 0.00 H new ATOM 0 HB ILE A 41 3.373 -0.749 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.869 -3.318 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.607 -2.754 5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.997 -1.681 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.656 -1.626 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.093 -3.170 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.228 -1.965 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.537 -0.594 4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.818 -1.166 3.133 1.00 0.00 H new ATOM 612 N GLY A 42 5.577 -2.797 8.089 1.00 0.00 N ATOM 613 CA GLY A 42 6.757 -2.473 8.869 1.00 0.00 C ATOM 614 C GLY A 42 8.039 -2.642 8.079 1.00 0.00 C ATOM 615 O GLY A 42 8.012 -3.058 6.920 1.00 0.00 O ATOM 0 H GLY A 42 5.612 -3.699 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.684 -1.444 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.791 -3.111 9.752 1.00 0.00 H new ATOM 619 N ASN A 43 9.165 -2.318 8.706 1.00 0.00 N ATOM 620 CA ASN A 43 10.463 -2.437 8.053 1.00 0.00 C ATOM 621 C ASN A 43 11.216 -3.664 8.559 1.00 0.00 C ATOM 622 O ASN A 43 11.651 -3.707 9.710 1.00 0.00 O ATOM 623 CB ASN A 43 11.296 -1.176 8.296 1.00 0.00 C ATOM 624 CG ASN A 43 12.639 -1.224 7.593 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.062 -2.273 7.106 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.318 -0.085 7.537 1.00 0.00 N ATOM 0 H ASN A 43 9.205 -1.971 9.664 1.00 0.00 H new ATOM 0 HA ASN A 43 10.295 -2.553 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.740 -0.305 7.951 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.454 -1.050 9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.228 -0.056 7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.930 0.761 7.954 1.00 0.00 H new ATOM 633 N ASP A 44 11.367 -4.658 7.690 1.00 0.00 N ATOM 634 CA ASP A 44 12.069 -5.886 8.046 1.00 0.00 C ATOM 635 C ASP A 44 13.383 -6.002 7.282 1.00 0.00 C ATOM 636 O ASP A 44 13.405 -6.425 6.126 1.00 0.00 O ATOM 637 CB ASP A 44 11.188 -7.103 7.758 1.00 0.00 C ATOM 638 CG ASP A 44 11.662 -8.345 8.488 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.888 -8.495 8.670 1.00 0.00 O ATOM 640 OD2 ASP A 44 10.806 -9.168 8.876 1.00 0.00 O ATOM 0 H ASP A 44 11.013 -4.637 6.734 1.00 0.00 H new ATOM 0 HA ASP A 44 12.292 -5.852 9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.161 -6.882 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.179 -7.296 6.685 1.00 0.00 H new ATOM 645 N ASP A 45 14.478 -5.624 7.934 1.00 0.00 N ATOM 646 CA ASP A 45 15.797 -5.687 7.314 1.00 0.00 C ATOM 647 C ASP A 45 15.847 -4.826 6.055 1.00 0.00 C ATOM 648 O ASP A 45 16.358 -5.252 5.019 1.00 0.00 O ATOM 649 CB ASP A 45 16.151 -7.135 6.971 1.00 0.00 C ATOM 650 CG ASP A 45 17.569 -7.276 6.451 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.503 -6.826 7.146 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.744 -7.837 5.349 1.00 0.00 O ATOM 0 H ASP A 45 14.478 -5.271 8.891 1.00 0.00 H new ATOM 0 HA ASP A 45 16.527 -5.300 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.029 -7.756 7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.453 -7.509 6.222 1.00 0.00 H new ATOM 657 N GLY A 46 15.311 -3.614 6.152 1.00 0.00 N ATOM 658 CA GLY A 46 15.304 -2.714 5.014 1.00 0.00 C ATOM 659 C GLY A 46 14.344 -3.159 3.926 1.00 0.00 C ATOM 660 O GLY A 46 14.446 -2.715 2.782 1.00 0.00 O ATOM 0 H GLY A 46 14.882 -3.239 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.030 -1.713 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.311 -2.648 4.601 1.00 0.00 H new ATOM 664 N SER A 47 13.410 -4.036 4.281 1.00 0.00 N ATOM 665 CA SER A 47 12.431 -4.539 3.325 1.00 0.00 C ATOM 666 C SER A 47 11.014 -4.394 3.872 1.00 0.00 C ATOM 667 O SER A 47 10.797 -4.448 5.082 1.00 0.00 O ATOM 668 CB SER A 47 12.715 -6.006 2.995 1.00 0.00 C ATOM 669 OG SER A 47 12.006 -6.416 1.839 1.00 0.00 O ATOM 0 H SER A 47 13.311 -4.413 5.224 1.00 0.00 H new ATOM 0 HA SER A 47 12.513 -3.947 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.785 -6.146 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.432 -6.633 3.840 1.00 0.00 H new ATOM 0 HG SER A 47 12.206 -7.356 1.649 1.00 0.00 H new ATOM 675 N PHE A 48 10.054 -4.210 2.972 1.00 0.00 N ATOM 676 CA PHE A 48 8.658 -4.058 3.364 1.00 0.00 C ATOM 677 C PHE A 48 8.095 -5.375 3.889 1.00 0.00 C ATOM 678 O PHE A 48 8.408 -6.446 3.369 1.00 0.00 O ATOM 679 CB PHE A 48 7.826 -3.571 2.177 1.00 0.00 C ATOM 680 CG PHE A 48 8.068 -2.131 1.823 1.00 0.00 C ATOM 681 CD1 PHE A 48 8.018 -1.146 2.797 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.346 -1.761 0.517 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.240 0.179 2.475 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.569 -0.437 0.188 1.00 0.00 C ATOM 685 CZ PHE A 48 8.516 0.534 1.169 1.00 0.00 C ATOM 0 H PHE A 48 10.217 -4.163 1.966 1.00 0.00 H new ATOM 0 HA PHE A 48 8.607 -3.318 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.048 -4.192 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.769 -3.708 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.803 -1.418 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.389 -2.516 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.198 0.936 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.784 -0.162 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.690 1.569 0.915 1.00 0.00 H new ATOM 695 N SER A 49 7.263 -5.288 4.922 1.00 0.00 N ATOM 696 CA SER A 49 6.658 -6.475 5.517 1.00 0.00 C ATOM 697 C SER A 49 5.152 -6.298 5.681 1.00 0.00 C ATOM 698 O SER A 49 4.692 -5.329 6.284 1.00 0.00 O ATOM 699 CB SER A 49 7.298 -6.773 6.874 1.00 0.00 C ATOM 700 OG SER A 49 7.130 -5.685 7.767 1.00 0.00 O ATOM 0 H SER A 49 6.992 -4.409 5.364 1.00 0.00 H new ATOM 0 HA SER A 49 6.835 -7.315 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.851 -7.671 7.301 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.360 -6.978 6.741 1.00 0.00 H new ATOM 0 HG SER A 49 7.321 -4.845 7.299 1.00 0.00 H new ATOM 706 N TRP A 50 4.389 -7.244 5.142 1.00 0.00 N ATOM 707 CA TRP A 50 2.935 -7.196 5.229 1.00 0.00 C ATOM 708 C TRP A 50 2.465 -7.561 6.633 1.00 0.00 C ATOM 709 O TRP A 50 2.721 -8.664 7.117 1.00 0.00 O ATOM 710 CB TRP A 50 2.313 -8.147 4.206 1.00 0.00 C ATOM 711 CG TRP A 50 2.155 -7.537 2.847 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.716 -7.973 1.682 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.385 -6.376 2.512 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.343 -7.156 0.643 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.526 -6.168 1.127 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.590 -5.493 3.248 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.901 -5.114 0.465 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.029 -4.447 2.590 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.129 -4.266 1.210 1.00 0.00 C ATOM 0 H TRP A 50 4.755 -8.053 4.640 1.00 0.00 H new ATOM 0 HA TRP A 50 2.613 -6.178 5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.934 -9.039 4.126 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.337 -8.470 4.567 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.360 -8.835 1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.628 -7.267 -0.330 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.462 -5.626 4.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.022 -4.971 -0.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.645 -3.758 3.149 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.369 -3.440 0.724 1.00 0.00 H new ATOM 730 N GLY A 51 1.779 -6.628 7.283 1.00 0.00 N ATOM 731 CA GLY A 51 1.287 -6.871 8.626 1.00 0.00 C ATOM 732 C GLY A 51 2.147 -6.218 9.693 1.00 0.00 C ATOM 733 O GLY A 51 1.988 -6.497 10.881 1.00 0.00 O ATOM 0 H GLY A 51 1.555 -5.708 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.267 -6.496 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.247 -7.945 8.805 1.00 0.00 H new ATOM 737 N GLY A 52 3.057 -5.344 9.272 1.00 0.00 N ATOM 738 CA GLY A 52 3.923 -4.665 10.216 1.00 0.00 C ATOM 739 C GLY A 52 3.389 -3.301 10.604 1.00 0.00 C ATOM 740 O GLY A 52 2.176 -3.093 10.646 1.00 0.00 O ATOM 0 H GLY A 52 3.209 -5.095 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.034 -5.278 11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.916 -4.554 9.781 1.00 0.00 H new ATOM 744 N GLU A 53 4.292 -2.369 10.890 1.00 0.00 N ATOM 745 CA GLU A 53 3.896 -1.020 11.275 1.00 0.00 C ATOM 746 C GLU A 53 5.116 -0.147 11.550 1.00 0.00 C ATOM 747 O GLU A 53 6.202 -0.651 11.838 1.00 0.00 O ATOM 748 CB GLU A 53 2.997 -1.066 12.511 1.00 0.00 C ATOM 749 CG GLU A 53 3.508 -1.992 13.602 1.00 0.00 C ATOM 750 CD GLU A 53 2.673 -1.920 14.866 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.434 -2.048 14.767 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.257 -1.736 15.954 1.00 0.00 O ATOM 0 H GLU A 53 5.300 -2.523 10.863 1.00 0.00 H new ATOM 0 HA GLU A 53 3.342 -0.581 10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.900 -0.059 12.917 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.999 -1.387 12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.512 -3.017 13.231 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.541 -1.735 13.838 1.00 0.00 H new ATOM 759 N ASN A 54 4.928 1.166 11.458 1.00 0.00 N ATOM 760 CA ASN A 54 6.009 2.115 11.697 1.00 0.00 C ATOM 761 C ASN A 54 7.124 1.944 10.669 1.00 0.00 C ATOM 762 O ASN A 54 8.291 2.211 10.956 1.00 0.00 O ATOM 763 CB ASN A 54 6.568 1.941 13.109 1.00 0.00 C ATOM 764 CG ASN A 54 5.505 2.117 14.176 1.00 0.00 C ATOM 765 OD1 ASN A 54 4.787 1.042 14.479 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.331 3.207 14.721 1.00 0.00 N flip ATOM 0 H ASN A 54 4.035 1.597 11.219 1.00 0.00 H new ATOM 0 HA ASN A 54 5.602 3.121 11.598 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.012 0.950 13.202 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.367 2.664 13.273 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.906 4.007 14.457 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.612 3.310 15.437 1.00 0.00 H new ATOM 773 N PHE A 55 6.757 1.499 9.471 1.00 0.00 N ATOM 774 CA PHE A 55 7.727 1.296 8.403 1.00 0.00 C ATOM 775 C PHE A 55 8.420 2.608 8.045 1.00 0.00 C ATOM 776 O PHE A 55 9.621 2.637 7.778 1.00 0.00 O ATOM 777 CB PHE A 55 7.040 0.703 7.168 1.00 0.00 C ATOM 778 CG PHE A 55 6.219 1.697 6.394 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.971 2.090 6.849 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.698 2.238 5.211 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.215 3.004 6.139 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.947 3.152 4.497 1.00 0.00 C ATOM 783 CZ PHE A 55 4.704 3.535 4.961 1.00 0.00 C ATOM 0 H PHE A 55 5.795 1.273 9.217 1.00 0.00 H new ATOM 0 HA PHE A 55 8.483 0.595 8.755 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.799 0.281 6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.397 -0.120 7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.584 1.678 7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.669 1.942 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.244 3.303 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.332 3.566 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.115 4.249 4.404 1.00 0.00 H new ATOM 793 N SER A 56 7.651 3.692 8.042 1.00 0.00 N ATOM 794 CA SER A 56 8.184 5.010 7.718 1.00 0.00 C ATOM 795 C SER A 56 9.147 5.494 8.799 1.00 0.00 C ATOM 796 O SER A 56 10.012 6.331 8.541 1.00 0.00 O ATOM 797 CB SER A 56 7.044 6.017 7.549 1.00 0.00 C ATOM 798 OG SER A 56 7.543 7.338 7.431 1.00 0.00 O ATOM 0 H SER A 56 6.655 3.683 8.261 1.00 0.00 H new ATOM 0 HA SER A 56 8.733 4.929 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.460 5.765 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.370 5.955 8.403 1.00 0.00 H new ATOM 0 HG SER A 56 6.795 7.962 7.323 1.00 0.00 H new ATOM 804 N GLY A 57 8.993 4.963 10.010 1.00 0.00 N ATOM 805 CA GLY A 57 9.858 5.355 11.110 1.00 0.00 C ATOM 806 C GLY A 57 11.329 5.307 10.741 1.00 0.00 C ATOM 807 O GLY A 57 12.142 6.037 11.308 1.00 0.00 O ATOM 0 H GLY A 57 8.285 4.269 10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.600 6.365 11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.679 4.697 11.960 1.00 0.00 H new ATOM 811 N SER A 58 11.668 4.448 9.785 1.00 0.00 N ATOM 812 CA SER A 58 13.048 4.309 9.337 1.00 0.00 C ATOM 813 C SER A 58 13.130 4.348 7.814 1.00 0.00 C ATOM 814 O SER A 58 14.024 3.750 7.215 1.00 0.00 O ATOM 815 CB SER A 58 13.646 3.001 9.858 1.00 0.00 C ATOM 816 OG SER A 58 12.955 2.544 11.007 1.00 0.00 O ATOM 0 H SER A 58 11.006 3.838 9.306 1.00 0.00 H new ATOM 0 HA SER A 58 13.621 5.146 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.602 2.241 9.078 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.699 3.150 10.099 1.00 0.00 H new ATOM 0 HG SER A 58 13.356 1.706 11.318 1.00 0.00 H new ATOM 822 N ALA A 59 12.191 5.056 7.193 1.00 0.00 N ATOM 823 CA ALA A 59 12.158 5.173 5.740 1.00 0.00 C ATOM 824 C ALA A 59 12.206 6.634 5.305 1.00 0.00 C ATOM 825 O ALA A 59 11.897 7.535 6.085 1.00 0.00 O ATOM 826 CB ALA A 59 10.915 4.492 5.185 1.00 0.00 C ATOM 0 H ALA A 59 11.444 5.557 7.674 1.00 0.00 H new ATOM 0 HA ALA A 59 13.041 4.675 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.902 4.587 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.926 3.437 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.025 4.964 5.601 1.00 0.00 H new ATOM 832 N SER A 60 12.599 6.862 4.056 1.00 0.00 N ATOM 833 CA SER A 60 12.691 8.215 3.519 1.00 0.00 C ATOM 834 C SER A 60 11.987 8.321 2.171 1.00 0.00 C ATOM 835 O SER A 60 11.923 7.351 1.415 1.00 0.00 O ATOM 836 CB SER A 60 14.156 8.624 3.369 1.00 0.00 C ATOM 837 OG SER A 60 14.828 7.786 2.445 1.00 0.00 O ATOM 0 H SER A 60 12.859 6.128 3.397 1.00 0.00 H new ATOM 0 HA SER A 60 12.197 8.888 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.215 9.660 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.652 8.573 4.338 1.00 0.00 H new ATOM 0 HG SER A 60 15.763 8.070 2.366 1.00 0.00 H new ATOM 843 N ASN A 61 11.466 9.513 1.878 1.00 0.00 N ATOM 844 CA ASN A 61 10.763 9.777 0.619 1.00 0.00 C ATOM 845 C ASN A 61 9.917 8.581 0.180 1.00 0.00 C ATOM 846 O ASN A 61 10.172 7.975 -0.861 1.00 0.00 O ATOM 847 CB ASN A 61 11.755 10.153 -0.489 1.00 0.00 C ATOM 848 CG ASN A 61 13.104 9.474 -0.333 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.166 8.195 -0.681 1.00 0.00 O flip ATOM 850 ND2 ASN A 61 14.077 10.094 0.095 1.00 0.00 N flip ATOM 0 H ASN A 61 11.518 10.319 2.501 1.00 0.00 H new ATOM 0 HA ASN A 61 10.091 10.617 0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.329 9.885 -1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.896 11.234 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.983 11.077 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.977 9.625 0.194 1.00 0.00 H new ATOM 857 N ILE A 62 8.909 8.252 0.979 1.00 0.00 N ATOM 858 CA ILE A 62 8.024 7.134 0.671 1.00 0.00 C ATOM 859 C ILE A 62 6.893 7.579 -0.252 1.00 0.00 C ATOM 860 O ILE A 62 6.104 8.457 0.098 1.00 0.00 O ATOM 861 CB ILE A 62 7.418 6.519 1.950 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.461 6.461 3.069 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.869 5.129 1.661 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.924 5.892 4.365 1.00 0.00 C ATOM 0 H ILE A 62 8.684 8.743 1.844 1.00 0.00 H new ATOM 0 HA ILE A 62 8.629 6.377 0.172 1.00 0.00 H new ATOM 0 HB ILE A 62 6.597 7.155 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.305 5.856 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.842 7.466 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.445 4.708 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.094 5.195 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.674 4.486 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.716 5.880 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.099 6.510 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.569 4.875 4.197 1.00 0.00 H new ATOM 876 N THR A 63 6.822 6.974 -1.434 1.00 0.00 N ATOM 877 CA THR A 63 5.789 7.318 -2.406 1.00 0.00 C ATOM 878 C THR A 63 5.286 6.080 -3.143 1.00 0.00 C ATOM 879 O THR A 63 5.958 5.049 -3.178 1.00 0.00 O ATOM 880 CB THR A 63 6.326 8.339 -3.410 1.00 0.00 C ATOM 881 OG1 THR A 63 7.724 8.183 -3.584 1.00 0.00 O ATOM 882 CG2 THR A 63 6.073 9.773 -3.000 1.00 0.00 C ATOM 0 H THR A 63 7.466 6.245 -1.741 1.00 0.00 H new ATOM 0 HA THR A 63 4.951 7.754 -1.862 1.00 0.00 H new ATOM 0 HB THR A 63 5.787 8.143 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.049 8.844 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.479 10.445 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.000 9.940 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.557 9.969 -2.043 1.00 0.00 H new ATOM 890 N LEU A 64 4.097 6.191 -3.730 1.00 0.00 N ATOM 891 CA LEU A 64 3.496 5.084 -4.466 1.00 0.00 C ATOM 892 C LEU A 64 3.596 5.316 -5.971 1.00 0.00 C ATOM 893 O LEU A 64 3.265 6.393 -6.466 1.00 0.00 O ATOM 894 CB LEU A 64 2.030 4.918 -4.061 1.00 0.00 C ATOM 895 CG LEU A 64 1.371 3.619 -4.526 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.943 2.433 -3.768 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.138 3.694 -4.343 1.00 0.00 C ATOM 0 H LEU A 64 3.530 7.039 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 64 4.042 4.173 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.961 4.973 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.462 5.758 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 64 1.582 3.483 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.463 1.516 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.016 2.370 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.760 2.561 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.592 2.762 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.369 3.852 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.535 4.523 -4.930 1.00 0.00 H new ATOM 909 N ASP A 65 4.057 4.299 -6.695 1.00 0.00 N ATOM 910 CA ASP A 65 4.203 4.397 -8.143 1.00 0.00 C ATOM 911 C ASP A 65 3.528 3.222 -8.843 1.00 0.00 C ATOM 912 O ASP A 65 3.385 2.143 -8.269 1.00 0.00 O ATOM 913 CB ASP A 65 5.684 4.446 -8.524 1.00 0.00 C ATOM 914 CG ASP A 65 6.361 5.717 -8.051 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.913 6.812 -8.451 1.00 0.00 O ATOM 916 OD2 ASP A 65 7.340 5.618 -7.282 1.00 0.00 O ATOM 0 H ASP A 65 4.335 3.400 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 65 3.717 5.317 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.195 3.584 -8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.780 4.368 -9.607 1.00 0.00 H new ATOM 921 N ILE A 66 3.120 3.437 -10.090 1.00 0.00 N ATOM 922 CA ILE A 66 2.469 2.397 -10.871 1.00 0.00 C ATOM 923 C ILE A 66 3.509 1.510 -11.552 1.00 0.00 C ATOM 924 O ILE A 66 4.562 1.986 -11.978 1.00 0.00 O ATOM 925 CB ILE A 66 1.522 3.008 -11.929 1.00 0.00 C ATOM 926 CG1 ILE A 66 0.194 3.404 -11.279 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.285 2.040 -13.081 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.663 2.224 -10.875 1.00 0.00 C ATOM 0 H ILE A 66 3.230 4.325 -10.580 1.00 0.00 H new ATOM 0 HA ILE A 66 1.876 1.788 -10.189 1.00 0.00 H new ATOM 0 HB ILE A 66 1.997 3.900 -12.337 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.398 4.012 -10.397 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.368 4.029 -11.973 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.615 2.498 -13.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.235 1.805 -13.560 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.834 1.124 -12.699 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.587 2.584 -10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.899 1.627 -11.756 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.121 1.610 -10.156 1.00 0.00 H new ATOM 940 N GLU A 67 3.207 0.221 -11.649 1.00 0.00 N ATOM 941 CA GLU A 67 4.117 -0.730 -12.276 1.00 0.00 C ATOM 942 C GLU A 67 3.348 -1.788 -13.059 1.00 0.00 C ATOM 943 O GLU A 67 2.240 -2.169 -12.684 1.00 0.00 O ATOM 944 CB GLU A 67 4.994 -1.400 -11.217 1.00 0.00 C ATOM 945 CG GLU A 67 6.237 -2.064 -11.788 1.00 0.00 C ATOM 946 CD GLU A 67 7.211 -1.065 -12.381 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.062 -0.729 -13.575 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.122 -0.620 -11.653 1.00 0.00 O ATOM 0 H GLU A 67 2.340 -0.190 -11.302 1.00 0.00 H new ATOM 0 HA GLU A 67 4.752 -0.182 -12.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.296 -0.654 -10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.403 -2.148 -10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.736 -2.630 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.942 -2.779 -12.556 1.00 0.00 H new ATOM 955 N GLY A 68 3.945 -2.258 -14.149 1.00 0.00 N ATOM 956 CA GLY A 68 3.304 -3.269 -14.969 1.00 0.00 C ATOM 957 C GLY A 68 2.264 -2.685 -15.905 1.00 0.00 C ATOM 958 O GLY A 68 1.815 -1.555 -15.717 1.00 0.00 O ATOM 0 H GLY A 68 4.862 -1.957 -14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.061 -3.792 -15.553 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.832 -4.010 -14.324 1.00 0.00 H new ATOM 962 N ASP A 69 1.881 -3.458 -16.915 1.00 0.00 N ATOM 963 CA ASP A 69 0.887 -3.013 -17.885 1.00 0.00 C ATOM 964 C ASP A 69 -0.523 -3.054 -17.295 1.00 0.00 C ATOM 965 O ASP A 69 -1.477 -2.590 -17.919 1.00 0.00 O ATOM 966 CB ASP A 69 0.954 -3.881 -19.145 1.00 0.00 C ATOM 967 CG ASP A 69 1.221 -3.066 -20.395 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.435 -2.137 -20.677 1.00 0.00 O ATOM 969 OD2 ASP A 69 2.216 -3.357 -21.092 1.00 0.00 O ATOM 0 H ASP A 69 2.244 -4.396 -17.084 1.00 0.00 H new ATOM 0 HA ASP A 69 1.113 -1.980 -18.147 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.739 -4.628 -19.027 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.015 -4.422 -19.261 1.00 0.00 H new ATOM 974 N ASP A 70 -0.652 -3.611 -16.093 1.00 0.00 N ATOM 975 CA ASP A 70 -1.948 -3.707 -15.431 1.00 0.00 C ATOM 976 C ASP A 70 -2.166 -2.541 -14.466 1.00 0.00 C ATOM 977 O ASP A 70 -3.236 -2.413 -13.870 1.00 0.00 O ATOM 978 CB ASP A 70 -2.060 -5.036 -14.680 1.00 0.00 C ATOM 979 CG ASP A 70 -3.152 -5.926 -15.240 1.00 0.00 C ATOM 980 OD1 ASP A 70 -4.298 -5.446 -15.375 1.00 0.00 O ATOM 981 OD2 ASP A 70 -2.863 -7.102 -15.543 1.00 0.00 O ATOM 0 H ASP A 70 0.125 -4.002 -15.559 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.721 -3.661 -16.198 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.106 -5.560 -14.731 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.260 -4.839 -13.627 1.00 0.00 H new ATOM 986 N ASN A 71 -1.150 -1.695 -14.311 1.00 0.00 N ATOM 987 CA ASN A 71 -1.241 -0.549 -13.414 1.00 0.00 C ATOM 988 C ASN A 71 -1.389 -1.008 -11.972 1.00 0.00 C ATOM 989 O ASN A 71 -2.490 -1.024 -11.421 1.00 0.00 O ATOM 990 CB ASN A 71 -2.420 0.346 -13.803 1.00 0.00 C ATOM 991 CG ASN A 71 -2.380 0.753 -15.263 1.00 0.00 C ATOM 992 OD1 ASN A 71 -3.010 -0.045 -16.117 1.00 0.00 O flip ATOM 993 ND2 ASN A 71 -1.790 1.773 -15.619 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.256 -1.783 -14.795 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.320 0.026 -13.504 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.353 -0.179 -13.601 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.415 1.240 -13.179 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.319 2.357 -14.928 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.772 2.034 -16.605 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.271 -1.387 -11.368 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.270 -1.856 -9.991 1.00 0.00 C ATOM 1002 C ILE A 72 0.379 -0.835 -9.058 1.00 0.00 C ATOM 1003 O ILE A 72 1.562 -0.526 -9.194 1.00 0.00 O ATOM 1004 CB ILE A 72 0.469 -3.201 -9.854 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.256 -4.069 -11.098 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.007 -3.930 -8.610 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.197 -4.397 -11.365 1.00 0.00 C ATOM 0 H ILE A 72 0.648 -1.378 -11.811 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.313 -1.992 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 72 1.537 -3.002 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.669 -3.554 -11.965 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.815 -4.998 -10.983 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.520 -4.880 -8.521 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.195 -3.319 -7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.078 -4.116 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.272 -5.014 -12.260 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.610 -4.940 -10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.757 -3.474 -11.512 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.388 -0.300 -8.089 1.00 0.00 N ATOM 1020 CA PRO A 73 0.129 0.684 -7.132 1.00 0.00 C ATOM 1021 C PRO A 73 1.187 0.083 -6.217 1.00 0.00 C ATOM 1022 O PRO A 73 0.870 -0.661 -5.289 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.108 1.090 -6.326 1.00 0.00 C ATOM 1024 CG PRO A 73 -2.050 -0.054 -6.471 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.808 -0.613 -7.843 1.00 0.00 C ATOM 0 HA PRO A 73 0.616 1.522 -7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.858 1.266 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.544 2.012 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.870 -0.808 -5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.083 0.274 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.996 -1.686 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.457 -0.150 -8.587 1.00 0.00 H new ATOM 1033 N VAL A 74 2.447 0.402 -6.489 1.00 0.00 N ATOM 1034 CA VAL A 74 3.554 -0.116 -5.695 1.00 0.00 C ATOM 1035 C VAL A 74 4.257 0.996 -4.919 1.00 0.00 C ATOM 1036 O VAL A 74 4.602 2.038 -5.476 1.00 0.00 O ATOM 1037 CB VAL A 74 4.573 -0.852 -6.588 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.036 0.045 -7.723 1.00 0.00 C ATOM 1039 CG2 VAL A 74 5.754 -1.355 -5.770 1.00 0.00 C ATOM 0 H VAL A 74 2.727 1.017 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 74 3.133 -0.821 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 74 4.079 -1.721 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.755 -0.493 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.179 0.334 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.507 0.938 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.457 -1.870 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.253 -0.511 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.399 -2.045 -5.004 1.00 0.00 H new ATOM 1049 N LEU A 75 4.459 0.761 -3.626 1.00 0.00 N ATOM 1050 CA LEU A 75 5.115 1.734 -2.757 1.00 0.00 C ATOM 1051 C LEU A 75 6.626 1.532 -2.758 1.00 0.00 C ATOM 1052 O LEU A 75 7.111 0.414 -2.591 1.00 0.00 O ATOM 1053 CB LEU A 75 4.571 1.613 -1.332 1.00 0.00 C ATOM 1054 CG LEU A 75 5.167 2.593 -0.319 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.722 4.015 -0.625 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.769 2.199 1.097 1.00 0.00 C ATOM 0 H LEU A 75 4.177 -0.098 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 75 4.903 2.733 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.491 1.757 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.748 0.597 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 75 6.254 2.552 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.156 4.697 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.056 4.294 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.635 4.074 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.200 2.905 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.683 2.213 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.138 1.197 1.313 1.00 0.00 H new ATOM 1068 N ARG A 76 7.365 2.621 -2.947 1.00 0.00 N ATOM 1069 CA ARG A 76 8.822 2.560 -2.971 1.00 0.00 C ATOM 1070 C ARG A 76 9.430 3.612 -2.048 1.00 0.00 C ATOM 1071 O ARG A 76 9.046 4.780 -2.083 1.00 0.00 O ATOM 1072 CB ARG A 76 9.337 2.760 -4.397 1.00 0.00 C ATOM 1073 CG ARG A 76 9.487 1.463 -5.173 1.00 0.00 C ATOM 1074 CD ARG A 76 9.152 1.650 -6.643 1.00 0.00 C ATOM 1075 NE ARG A 76 8.480 0.478 -7.199 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.757 -0.048 -8.392 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.660 0.515 -9.187 1.00 0.00 N ATOM 1078 NH2 ARG A 76 8.123 -1.140 -8.797 1.00 0.00 N ATOM 0 H ARG A 76 6.979 3.555 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 76 9.123 1.575 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.653 3.418 -4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.302 3.265 -4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.509 1.096 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.833 0.704 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.514 2.526 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.067 1.844 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 76 7.753 0.034 -6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.149 1.358 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.864 0.104 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.424 -1.577 -8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.334 -1.543 -9.710 1.00 0.00 H new ATOM 1092 N ALA A 77 10.384 3.186 -1.226 1.00 0.00 N ATOM 1093 CA ALA A 77 11.050 4.088 -0.295 1.00 0.00 C ATOM 1094 C ALA A 77 12.311 3.450 0.277 1.00 0.00 C ATOM 1095 O ALA A 77 12.398 2.229 0.402 1.00 0.00 O ATOM 1096 CB ALA A 77 10.101 4.486 0.825 1.00 0.00 C ATOM 0 H ALA A 77 10.713 2.221 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 77 11.343 4.984 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.612 5.160 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.231 4.989 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.779 3.594 1.363 1.00 0.00 H new ATOM 1102 N GLU A 78 13.286 4.284 0.625 1.00 0.00 N ATOM 1103 CA GLU A 78 14.540 3.797 1.187 1.00 0.00 C ATOM 1104 C GLU A 78 14.362 3.406 2.650 1.00 0.00 C ATOM 1105 O GLU A 78 14.206 4.265 3.517 1.00 0.00 O ATOM 1106 CB GLU A 78 15.629 4.864 1.060 1.00 0.00 C ATOM 1107 CG GLU A 78 15.793 5.400 -0.352 1.00 0.00 C ATOM 1108 CD GLU A 78 17.013 6.289 -0.501 1.00 0.00 C ATOM 1109 OE1 GLU A 78 18.108 5.871 -0.068 1.00 0.00 O ATOM 1110 OE2 GLU A 78 16.873 7.402 -1.050 1.00 0.00 O ATOM 0 H GLU A 78 13.232 5.298 0.528 1.00 0.00 H new ATOM 0 HA GLU A 78 14.843 2.912 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.395 5.692 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.578 4.444 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.870 4.564 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.902 5.963 -0.629 1.00 0.00 H new ATOM 1117 N LEU A 79 14.384 2.104 2.916 1.00 0.00 N ATOM 1118 CA LEU A 79 14.223 1.599 4.275 1.00 0.00 C ATOM 1119 C LEU A 79 15.575 1.428 4.956 1.00 0.00 C ATOM 1120 O LEU A 79 16.579 1.150 4.301 1.00 0.00 O ATOM 1121 CB LEU A 79 13.481 0.262 4.259 1.00 0.00 C ATOM 1122 CG LEU A 79 11.963 0.362 4.109 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.372 -0.995 3.761 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.337 0.908 5.384 1.00 0.00 C ATOM 0 H LEU A 79 14.512 1.380 2.209 1.00 0.00 H new ATOM 0 HA LEU A 79 13.640 2.328 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.872 -0.342 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.704 -0.270 5.183 1.00 0.00 H new ATOM 0 HG LEU A 79 11.741 1.052 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.291 -0.905 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.798 -1.347 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.603 -1.707 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.256 0.973 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.568 0.243 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.738 1.900 5.591 1.00 0.00 H new ATOM 1136 N ASN A 80 15.593 1.594 6.275 1.00 0.00 N ATOM 1137 CA ASN A 80 16.822 1.455 7.048 1.00 0.00 C ATOM 1138 C ASN A 80 16.914 0.065 7.678 1.00 0.00 C ATOM 1139 O ASN A 80 16.254 -0.213 8.678 1.00 0.00 O ATOM 1140 CB ASN A 80 16.884 2.525 8.141 1.00 0.00 C ATOM 1141 CG ASN A 80 17.362 3.863 7.613 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.432 4.344 7.986 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.569 4.473 6.740 1.00 0.00 N ATOM 0 H ASN A 80 14.770 1.825 6.831 1.00 0.00 H new ATOM 0 HA ASN A 80 17.666 1.586 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.896 2.645 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.552 2.191 8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.838 5.377 6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.690 4.038 6.458 1.00 0.00 H new ATOM 1150 N PRO A 81 17.737 -0.830 7.100 1.00 0.00 N ATOM 1151 CA PRO A 81 17.903 -2.190 7.615 1.00 0.00 C ATOM 1152 C PRO A 81 18.777 -2.234 8.864 1.00 0.00 C ATOM 1153 O PRO A 81 19.483 -1.275 9.174 1.00 0.00 O ATOM 1154 CB PRO A 81 18.586 -2.919 6.459 1.00 0.00 C ATOM 1155 CG PRO A 81 19.363 -1.860 5.758 1.00 0.00 C ATOM 1156 CD PRO A 81 18.566 -0.590 5.902 1.00 0.00 C ATOM 0 HA PRO A 81 16.954 -2.633 7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.237 -3.715 6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.856 -3.381 5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.354 -1.749 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.506 -2.113 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.214 0.277 6.031 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.952 -0.401 5.022 1.00 0.00 H new ATOM 1164 N MET A 82 18.723 -3.354 9.576 1.00 0.00 N ATOM 1165 CA MET A 82 19.508 -3.527 10.792 1.00 0.00 C ATOM 1166 C MET A 82 20.828 -4.244 10.506 1.00 0.00 C ATOM 1167 O MET A 82 21.602 -4.521 11.422 1.00 0.00 O ATOM 1168 CB MET A 82 18.706 -4.314 11.829 1.00 0.00 C ATOM 1169 CG MET A 82 18.366 -5.728 11.385 1.00 0.00 C ATOM 1170 SD MET A 82 18.516 -6.931 12.720 1.00 0.00 S ATOM 1171 CE MET A 82 17.908 -8.410 11.912 1.00 0.00 C ATOM 0 H MET A 82 18.143 -4.157 9.331 1.00 0.00 H new ATOM 0 HA MET A 82 19.737 -2.536 11.185 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.274 -4.360 12.758 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.782 -3.778 12.046 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.348 -5.748 10.996 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.025 -6.016 10.566 1.00 0.00 H new ATOM 0 HE1 MET A 82 17.939 -9.245 12.611 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.881 -8.249 11.583 1.00 0.00 H new ATOM 0 HE3 MET A 82 18.534 -8.636 11.049 1.00 0.00 H new ATOM 1181 N ASP A 83 21.081 -4.544 9.234 1.00 0.00 N ATOM 1182 CA ASP A 83 22.307 -5.230 8.842 1.00 0.00 C ATOM 1183 C ASP A 83 23.359 -4.238 8.355 1.00 0.00 C ATOM 1184 O ASP A 83 24.510 -4.278 8.787 1.00 0.00 O ATOM 1185 CB ASP A 83 22.013 -6.257 7.747 1.00 0.00 C ATOM 1186 CG ASP A 83 22.847 -7.514 7.895 1.00 0.00 C ATOM 1187 OD1 ASP A 83 23.925 -7.442 8.520 1.00 0.00 O ATOM 1188 OD2 ASP A 83 22.421 -8.572 7.385 1.00 0.00 O ATOM 0 H ASP A 83 20.454 -4.323 8.460 1.00 0.00 H new ATOM 0 HA ASP A 83 22.700 -5.744 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.956 -6.520 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.205 -5.809 6.772 1.00 0.00 H new ATOM 1193 N GLY A 84 22.957 -3.349 7.451 1.00 0.00 N ATOM 1194 CA GLY A 84 23.880 -2.363 6.921 1.00 0.00 C ATOM 1195 C GLY A 84 23.281 -0.972 6.866 1.00 0.00 C ATOM 1196 O GLY A 84 22.772 -0.468 7.868 1.00 0.00 O ATOM 0 H GLY A 84 22.010 -3.294 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 84 24.778 -2.343 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.188 -2.661 5.919 1.00 0.00 H new ATOM 1200 N ASP A 85 23.342 -0.350 5.693 1.00 0.00 N ATOM 1201 CA ASP A 85 22.808 0.984 5.504 1.00 0.00 C ATOM 1202 C ASP A 85 21.493 0.936 4.739 1.00 0.00 C ATOM 1203 O ASP A 85 21.164 -0.066 4.104 1.00 0.00 O ATOM 1204 CB ASP A 85 23.818 1.852 4.750 1.00 0.00 C ATOM 1205 CG ASP A 85 24.734 2.618 5.684 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.301 2.934 6.812 1.00 0.00 O ATOM 1207 OD2 ASP A 85 25.884 2.901 5.289 1.00 0.00 O ATOM 0 H ASP A 85 23.760 -0.757 4.856 1.00 0.00 H new ATOM 0 HA ASP A 85 22.621 1.421 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.418 1.220 4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.283 2.556 4.112 1.00 0.00 H new ATOM 1212 N PRO A 86 20.734 2.037 4.783 1.00 0.00 N ATOM 1213 CA PRO A 86 19.450 2.174 4.093 1.00 0.00 C ATOM 1214 C PRO A 86 19.448 1.524 2.712 1.00 0.00 C ATOM 1215 O PRO A 86 20.456 1.539 2.006 1.00 0.00 O ATOM 1216 CB PRO A 86 19.287 3.703 3.971 1.00 0.00 C ATOM 1217 CG PRO A 86 20.550 4.284 4.535 1.00 0.00 C ATOM 1218 CD PRO A 86 21.065 3.266 5.493 1.00 0.00 C ATOM 0 HA PRO A 86 18.642 1.679 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.147 4.002 2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.414 4.050 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 86 21.276 4.483 3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 86 20.356 5.232 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.136 3.367 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 86 20.576 3.327 6.465 1.00 0.00 H new ATOM 1226 N VAL A 87 18.308 0.954 2.333 1.00 0.00 N ATOM 1227 CA VAL A 87 18.175 0.300 1.037 1.00 0.00 C ATOM 1228 C VAL A 87 16.835 0.636 0.388 1.00 0.00 C ATOM 1229 O VAL A 87 15.871 0.978 1.072 1.00 0.00 O ATOM 1230 CB VAL A 87 18.309 -1.231 1.163 1.00 0.00 C ATOM 1231 CG1 VAL A 87 17.220 -1.794 2.064 1.00 0.00 C ATOM 1232 CG2 VAL A 87 18.269 -1.887 -0.210 1.00 0.00 C ATOM 0 H VAL A 87 17.464 0.932 2.905 1.00 0.00 H new ATOM 0 HA VAL A 87 18.982 0.674 0.408 1.00 0.00 H new ATOM 0 HB VAL A 87 19.274 -1.454 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 87 17.333 -2.876 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.303 -1.351 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.242 -1.560 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.365 -2.967 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.322 -1.655 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 87 19.091 -1.510 -0.818 1.00 0.00 H new ATOM 1242 N GLU A 88 16.783 0.536 -0.937 1.00 0.00 N ATOM 1243 CA GLU A 88 15.562 0.830 -1.678 1.00 0.00 C ATOM 1244 C GLU A 88 14.567 -0.320 -1.565 1.00 0.00 C ATOM 1245 O GLU A 88 14.799 -1.410 -2.089 1.00 0.00 O ATOM 1246 CB GLU A 88 15.886 1.099 -3.150 1.00 0.00 C ATOM 1247 CG GLU A 88 15.278 2.387 -3.680 1.00 0.00 C ATOM 1248 CD GLU A 88 15.273 2.450 -5.195 1.00 0.00 C ATOM 1249 OE1 GLU A 88 16.347 2.252 -5.801 1.00 0.00 O ATOM 1250 OE2 GLU A 88 14.195 2.697 -5.775 1.00 0.00 O ATOM 0 H GLU A 88 17.572 0.254 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 88 15.109 1.722 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.968 1.140 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.528 0.263 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.256 2.480 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.836 3.237 -3.287 1.00 0.00 H new ATOM 1257 N ALA A 89 13.456 -0.069 -0.880 1.00 0.00 N ATOM 1258 CA ALA A 89 12.424 -1.082 -0.701 1.00 0.00 C ATOM 1259 C ALA A 89 11.204 -0.775 -1.562 1.00 0.00 C ATOM 1260 O ALA A 89 10.804 0.382 -1.698 1.00 0.00 O ATOM 1261 CB ALA A 89 12.029 -1.179 0.766 1.00 0.00 C ATOM 0 H ALA A 89 13.248 0.827 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 89 12.829 -2.042 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.257 -1.939 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.901 -1.451 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.645 -0.216 1.104 1.00 0.00 H new ATOM 1267 N ASN A 90 10.615 -1.815 -2.142 1.00 0.00 N ATOM 1268 CA ASN A 90 9.440 -1.650 -2.990 1.00 0.00 C ATOM 1269 C ASN A 90 8.425 -2.763 -2.742 1.00 0.00 C ATOM 1270 O ASN A 90 8.735 -3.945 -2.890 1.00 0.00 O ATOM 1271 CB ASN A 90 9.847 -1.622 -4.468 1.00 0.00 C ATOM 1272 CG ASN A 90 10.199 -2.996 -5.011 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.542 -3.504 -5.919 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.239 -3.605 -4.454 1.00 0.00 N ATOM 0 H ASN A 90 10.931 -2.779 -2.041 1.00 0.00 H new ATOM 0 HA ASN A 90 8.971 -0.699 -2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.031 -1.203 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.703 -0.958 -4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.521 -4.531 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.756 -3.147 -3.703 1.00 0.00 H new ATOM 1281 N VAL A 91 7.209 -2.376 -2.367 1.00 0.00 N ATOM 1282 CA VAL A 91 6.150 -3.341 -2.104 1.00 0.00 C ATOM 1283 C VAL A 91 4.863 -2.956 -2.825 1.00 0.00 C ATOM 1284 O VAL A 91 4.406 -1.816 -2.734 1.00 0.00 O ATOM 1285 CB VAL A 91 5.861 -3.469 -0.595 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.310 -2.164 -0.039 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.899 -4.617 -0.331 1.00 0.00 C ATOM 0 H VAL A 91 6.934 -1.402 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 91 6.502 -4.302 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 91 6.799 -3.685 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.113 -2.277 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.038 -1.367 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.383 -1.912 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.707 -4.692 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.961 -4.434 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.338 -5.549 -0.687 1.00 0.00 H new ATOM 1297 N ASN A 92 4.283 -3.912 -3.541 1.00 0.00 N ATOM 1298 CA ASN A 92 3.048 -3.673 -4.275 1.00 0.00 C ATOM 1299 C ASN A 92 1.837 -3.890 -3.370 1.00 0.00 C ATOM 1300 O ASN A 92 1.533 -5.018 -2.983 1.00 0.00 O ATOM 1301 CB ASN A 92 2.989 -4.588 -5.506 1.00 0.00 C ATOM 1302 CG ASN A 92 1.573 -4.892 -5.959 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.681 -4.050 -5.857 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.363 -6.102 -6.462 1.00 0.00 N ATOM 0 H ASN A 92 4.649 -4.860 -3.628 1.00 0.00 H new ATOM 0 HA ASN A 92 3.029 -2.637 -4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.533 -4.118 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.500 -5.524 -5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.432 -6.366 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.133 -6.768 -6.527 1.00 0.00 H new ATOM 1311 N LEU A 93 1.151 -2.801 -3.033 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.026 -2.869 -2.170 1.00 0.00 C ATOM 1313 C LEU A 93 -1.018 -3.914 -2.673 1.00 0.00 C ATOM 1314 O LEU A 93 -1.635 -4.629 -1.885 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.705 -1.501 -2.092 1.00 0.00 C ATOM 1316 CG LEU A 93 0.199 -0.356 -1.634 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.587 0.943 -1.547 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.837 -0.687 -0.293 1.00 0.00 C ATOM 0 H LEU A 93 1.390 -1.860 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 93 0.305 -3.163 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.107 -1.255 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.552 -1.571 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 93 0.992 -0.227 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.073 1.746 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.997 1.187 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.401 0.828 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.477 0.138 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.057 -0.843 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.434 -1.594 -0.388 1.00 0.00 H new ATOM 1330 N SER A 94 -1.158 -4.002 -3.991 1.00 0.00 N ATOM 1331 CA SER A 94 -2.068 -4.964 -4.604 1.00 0.00 C ATOM 1332 C SER A 94 -1.701 -6.399 -4.225 1.00 0.00 C ATOM 1333 O SER A 94 -2.480 -7.324 -4.445 1.00 0.00 O ATOM 1334 CB SER A 94 -2.060 -4.809 -6.126 1.00 0.00 C ATOM 1335 OG SER A 94 -2.228 -3.453 -6.502 1.00 0.00 O ATOM 0 H SER A 94 -0.652 -3.418 -4.657 1.00 0.00 H new ATOM 0 HA SER A 94 -3.070 -4.759 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.120 -5.187 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.858 -5.411 -6.560 1.00 0.00 H new ATOM 0 HG SER A 94 -2.566 -2.941 -5.738 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.510 -6.585 -3.666 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.054 -7.912 -3.272 1.00 0.00 C ATOM 1343 C GLU A 95 -0.942 -8.505 -2.182 1.00 0.00 C ATOM 1344 O GLU A 95 -1.323 -9.674 -2.250 1.00 0.00 O ATOM 1345 CB GLU A 95 1.391 -7.855 -2.778 1.00 0.00 C ATOM 1346 CG GLU A 95 2.413 -7.715 -3.895 1.00 0.00 C ATOM 1347 CD GLU A 95 3.494 -8.777 -3.834 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.156 -9.956 -3.599 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.679 -8.429 -4.022 1.00 0.00 O ATOM 0 H GLU A 95 0.155 -5.835 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.112 -8.553 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.498 -7.015 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.608 -8.760 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.904 -7.775 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.874 -6.729 -3.839 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.259 -7.701 -1.170 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.090 -8.166 -0.064 1.00 0.00 C ATOM 1358 C ARG A 96 -3.094 -7.102 0.367 1.00 0.00 C ATOM 1359 O ARG A 96 -3.367 -6.944 1.557 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.212 -8.553 1.129 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.244 -9.687 0.837 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.774 -11.014 1.353 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.307 -11.298 2.709 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.528 -12.447 3.344 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.209 -13.421 2.752 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.068 -12.622 4.575 1.00 0.00 N ATOM 0 H ARG A 96 -0.955 -6.730 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.644 -9.038 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.646 -7.679 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.854 -8.841 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.074 -9.754 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.719 -9.473 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.864 -10.999 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.458 -11.815 0.685 1.00 0.00 H new ATOM 0 HE ARG A 96 0.219 -10.573 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.566 -13.291 1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.375 -14.299 3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.455 -11.877 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.237 -13.502 5.062 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.651 -6.379 -0.598 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.630 -5.344 -0.291 1.00 0.00 C ATOM 1382 C ILE A 97 -5.920 -5.581 -1.067 1.00 0.00 C ATOM 1383 O ILE A 97 -5.927 -5.558 -2.294 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.073 -3.941 -0.616 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.900 -3.613 0.311 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.162 -2.882 -0.492 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.302 -3.435 1.759 1.00 0.00 C ATOM 0 H ILE A 97 -3.444 -6.489 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.843 -5.393 0.777 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.718 -3.942 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.161 -4.411 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.417 -2.700 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.745 -1.902 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.970 -3.108 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.551 -2.877 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.420 -3.205 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.018 -2.617 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.758 -4.355 2.126 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.010 -5.803 -0.343 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.286 -6.044 -0.990 1.00 0.00 C ATOM 1401 C GLY A 98 -9.336 -5.016 -0.620 1.00 0.00 C ATOM 1402 O GLY A 98 -9.063 -4.078 0.129 1.00 0.00 O ATOM 0 H GLY A 98 -7.034 -5.821 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.146 -6.041 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.644 -7.037 -0.718 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.544 -5.196 -1.146 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.646 -4.284 -0.867 1.00 0.00 C ATOM 1408 C ASN A 99 -12.920 -5.059 -0.547 1.00 0.00 C ATOM 1409 O ASN A 99 -13.575 -5.593 -1.442 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.885 -3.355 -2.060 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.130 -4.117 -3.347 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.361 -5.006 -3.712 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.207 -3.771 -4.043 1.00 0.00 N ATOM 0 H ASN A 99 -10.784 -5.967 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.377 -3.682 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.742 -2.714 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.022 -2.702 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.424 -4.248 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.817 -3.028 -3.703 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.262 -5.121 0.736 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.456 -5.835 1.174 1.00 0.00 C ATOM 1422 C ASP A 100 -15.654 -4.896 1.259 1.00 0.00 C ATOM 1423 O ASP A 100 -15.662 -3.952 2.048 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.210 -6.492 2.534 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.281 -7.505 2.888 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.461 -7.260 2.562 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -14.939 -8.543 3.492 1.00 0.00 O ATOM 0 H ASP A 100 -12.730 -4.686 1.490 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.677 -6.608 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.237 -6.983 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.172 -5.722 3.305 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.667 -5.164 0.440 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.874 -4.345 0.420 1.00 0.00 C ATOM 1434 C CYS A 101 -17.535 -2.876 0.185 1.00 0.00 C ATOM 1435 O CYS A 101 -18.235 -1.983 0.661 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.640 -4.498 1.735 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.357 -3.935 1.660 1.00 0.00 S ATOM 0 H CYS A 101 -16.676 -5.943 -0.219 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.501 -4.689 -0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.626 -5.547 2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.120 -3.940 2.513 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.398 -2.732 1.170 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.455 -2.635 -0.550 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.041 -1.273 -0.833 1.00 0.00 C ATOM 1445 C GLY A 102 -15.035 -0.747 0.173 1.00 0.00 C ATOM 1446 O GLY A 102 -14.371 0.259 -0.075 1.00 0.00 O ATOM 0 H GLY A 102 -15.859 -3.357 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.607 -1.230 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.917 -0.625 -0.838 1.00 0.00 H new ATOM 1450 N THR A 103 -14.920 -1.426 1.311 1.00 0.00 N ATOM 1451 CA THR A 103 -13.987 -1.016 2.354 1.00 0.00 C ATOM 1452 C THR A 103 -12.604 -1.613 2.112 1.00 0.00 C ATOM 1453 O THR A 103 -12.480 -2.747 1.651 1.00 0.00 O ATOM 1454 CB THR A 103 -14.505 -1.444 3.728 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.841 -1.010 3.917 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.680 -0.901 4.875 1.00 0.00 C ATOM 0 H THR A 103 -15.461 -2.262 1.533 1.00 0.00 H new ATOM 0 HA THR A 103 -13.905 0.071 2.326 1.00 0.00 H new ATOM 0 HB THR A 103 -14.437 -2.532 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.155 -1.294 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.102 -1.242 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.654 -1.258 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.689 0.189 4.846 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.569 -0.841 2.424 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.195 -1.294 2.239 1.00 0.00 C ATOM 1466 C LEU A 104 -9.822 -2.341 3.284 1.00 0.00 C ATOM 1467 O LEU A 104 -10.009 -2.130 4.483 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.231 -0.106 2.315 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.622 0.324 0.978 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.606 -0.702 0.501 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.712 0.528 -0.067 1.00 0.00 C ATOM 0 H LEU A 104 -11.655 0.101 2.806 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.117 -1.752 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.760 0.744 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.422 -0.358 3.001 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.108 1.274 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.183 -0.380 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.809 -0.795 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.096 -1.667 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.259 0.833 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.257 -0.405 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.401 1.302 0.272 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.295 -3.470 2.822 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.897 -4.550 3.716 1.00 0.00 C ATOM 1485 C ILE A 105 -7.531 -5.106 3.331 1.00 0.00 C ATOM 1486 O ILE A 105 -6.983 -4.764 2.283 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.927 -5.697 3.707 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.078 -6.268 2.295 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.268 -5.209 4.234 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.136 -7.780 2.259 1.00 0.00 C ATOM 0 H ILE A 105 -9.134 -3.660 1.833 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.845 -4.127 4.719 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.569 -6.491 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.986 -5.867 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.242 -5.930 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.985 -6.030 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.148 -4.848 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.634 -4.399 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.243 -8.116 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.218 -8.189 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -10.989 -8.125 2.844 1.00 0.00 H new ATOM 1502 N PHE A 106 -6.985 -5.967 4.184 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.684 -6.572 3.935 1.00 0.00 C ATOM 1504 C PHE A 106 -5.800 -8.095 3.891 1.00 0.00 C ATOM 1505 O PHE A 106 -6.506 -8.697 4.700 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.688 -6.136 5.015 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.541 -7.086 5.209 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.647 -8.141 6.098 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.362 -6.926 4.500 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.597 -9.021 6.280 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.308 -7.801 4.676 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.425 -8.851 5.568 1.00 0.00 C ATOM 0 H PHE A 106 -7.426 -6.261 5.056 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.319 -6.232 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.293 -5.154 4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.219 -6.026 5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.561 -8.278 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.266 -6.108 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.692 -9.840 6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.394 -7.665 4.118 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.602 -9.537 5.708 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.101 -8.709 2.942 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.126 -10.159 2.793 1.00 0.00 C ATOM 1524 C LEU A 107 -4.441 -10.840 3.974 1.00 0.00 C ATOM 1525 O LEU A 107 -3.214 -10.930 4.026 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.442 -10.568 1.487 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.366 -10.652 0.271 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.544 -11.570 0.558 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -5.853 -9.266 -0.125 1.00 0.00 C ATOM 0 H LEU A 107 -4.511 -8.225 2.265 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.168 -10.479 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.647 -9.854 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.968 -11.539 1.632 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.801 -11.069 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.190 -11.617 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.178 -12.569 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.109 -11.182 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.509 -9.345 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.401 -8.822 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.998 -8.637 -0.373 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.243 -11.318 4.920 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.716 -11.992 6.101 1.00 0.00 C ATOM 1543 C ALA A 108 -5.327 -13.380 6.260 1.00 0.00 C ATOM 1544 O ALA A 108 -4.576 -14.372 6.154 1.00 0.00 O ATOM 1545 CB ALA A 108 -4.973 -11.154 7.344 1.00 0.00 C ATOM 1546 OXT ALA A 108 -6.552 -13.463 6.490 1.00 0.00 O ATOM 0 H ALA A 108 -6.260 -11.251 4.892 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.640 -12.111 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.575 -11.669 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.483 -10.186 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.046 -11.006 7.468 1.00 0.00 H new