USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 785 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 49 LYS NZ :NH3+ 177:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 54 GLN : amide:sc= 0.806 K(o=1.9,f=-3) USER MOD Set 2.1: A 25 THR OG1 : rot -71:sc= 1.09 USER MOD Set 2.2: A 27 SER OG : rot 108:sc= 0.993 USER MOD Set 2.3: A 53 LYS NZ :NH3+ 180:sc= 2.03 (180deg=2.03) USER MOD Single : A 1 SER N :NH3+ 131:sc= 0.0294 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.692 K(o=0.69,f=-5.8!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 31 GLN : amide:sc= 0.499 K(o=0.5,f=-3.4!) USER MOD Single : A 36 MET CE :methyl -174:sc= -0.234 (180deg=-0.345) USER MOD Single : A 38 SER OG : rot 75:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot -72:sc= 1.22 USER MOD Single : A 52 SER OG : rot 81:sc= 0.512 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.917) USER MOD Single : A 67 SER OG : rot 180:sc= 0.022 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 1.98 (180deg=1.89) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0.491 K(o=0.49,f=-0.0095) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.00341 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.295 7.668 -15.246 1.00 0.00 N ATOM 2 CA SER A 1 -6.593 6.698 -14.155 1.00 0.00 C ATOM 3 C SER A 1 -5.428 5.734 -13.907 1.00 0.00 C ATOM 4 O SER A 1 -4.642 5.459 -14.816 1.00 0.00 O ATOM 5 CB SER A 1 -7.879 5.911 -14.442 1.00 0.00 C ATOM 6 OG SER A 1 -8.955 6.818 -14.647 1.00 0.00 O ATOM 0 H1 SER A 1 -7.089 7.690 -15.917 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.158 8.616 -14.840 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.430 7.376 -15.743 1.00 0.00 H new ATOM 0 HA SER A 1 -6.739 7.285 -13.249 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.745 5.284 -15.323 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.104 5.245 -13.609 1.00 0.00 H new ATOM 0 HG SER A 1 -9.776 6.315 -14.832 1.00 0.00 H new ATOM 14 N VAL A 2 -5.309 5.202 -12.682 1.00 0.00 N ATOM 15 CA VAL A 2 -4.277 4.202 -12.309 1.00 0.00 C ATOM 16 C VAL A 2 -4.596 2.797 -12.850 1.00 0.00 C ATOM 17 O VAL A 2 -5.754 2.474 -13.129 1.00 0.00 O ATOM 18 CB VAL A 2 -4.023 4.163 -10.785 1.00 0.00 C ATOM 19 CG1 VAL A 2 -3.458 5.500 -10.290 1.00 0.00 C ATOM 20 CG2 VAL A 2 -5.269 3.815 -9.959 1.00 0.00 C ATOM 0 H VAL A 2 -5.928 5.451 -11.910 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.355 4.532 -12.788 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.298 3.363 -10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.288 5.447 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.515 5.707 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.169 6.298 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.013 3.807 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.044 4.560 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.636 2.831 -10.251 1.00 0.00 H new ATOM 30 N SER A 3 -3.567 1.955 -12.989 1.00 0.00 N ATOM 31 CA SER A 3 -3.668 0.556 -13.438 1.00 0.00 C ATOM 32 C SER A 3 -2.615 -0.338 -12.759 1.00 0.00 C ATOM 33 O SER A 3 -1.638 0.155 -12.189 1.00 0.00 O ATOM 34 CB SER A 3 -3.533 0.494 -14.966 1.00 0.00 C ATOM 35 OG SER A 3 -3.925 -0.784 -15.449 1.00 0.00 O ATOM 0 H SER A 3 -2.607 2.235 -12.786 1.00 0.00 H new ATOM 0 HA SER A 3 -4.647 0.173 -13.148 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.151 1.267 -15.423 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.502 0.698 -15.254 1.00 0.00 H new ATOM 0 HG SER A 3 -3.835 -0.807 -16.425 1.00 0.00 H new ATOM 41 N ILE A 4 -2.819 -1.658 -12.799 1.00 0.00 N ATOM 42 CA ILE A 4 -1.953 -2.664 -12.162 1.00 0.00 C ATOM 43 C ILE A 4 -0.670 -2.858 -12.998 1.00 0.00 C ATOM 44 O ILE A 4 -0.727 -2.969 -14.228 1.00 0.00 O ATOM 45 CB ILE A 4 -2.729 -3.989 -11.929 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.786 -3.903 -10.799 1.00 0.00 C ATOM 47 CG2 ILE A 4 -1.782 -5.147 -11.552 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.975 -2.964 -11.047 1.00 0.00 C ATOM 0 H ILE A 4 -3.613 -2.072 -13.288 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.646 -2.311 -11.177 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.228 -4.172 -12.881 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.174 -4.905 -10.617 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.284 -3.585 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.363 -6.056 -11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.065 -5.307 -12.357 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.248 -4.897 -10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.644 -2.990 -10.187 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.611 -1.947 -11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.515 -3.288 -11.937 1.00 0.00 H new ATOM 60 N LEU A 5 0.484 -2.926 -12.322 1.00 0.00 N ATOM 61 CA LEU A 5 1.811 -3.176 -12.909 1.00 0.00 C ATOM 62 C LEU A 5 2.696 -4.055 -12.001 1.00 0.00 C ATOM 63 O LEU A 5 2.444 -4.173 -10.796 1.00 0.00 O ATOM 64 CB LEU A 5 2.468 -1.841 -13.341 1.00 0.00 C ATOM 65 CG LEU A 5 3.004 -0.829 -12.299 1.00 0.00 C ATOM 66 CD1 LEU A 5 2.018 -0.472 -11.187 1.00 0.00 C ATOM 67 CD2 LEU A 5 4.323 -1.254 -11.657 1.00 0.00 C ATOM 0 H LEU A 5 0.523 -2.804 -11.310 1.00 0.00 H new ATOM 0 HA LEU A 5 1.687 -3.767 -13.816 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.303 -2.095 -13.994 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.737 -1.311 -13.951 1.00 0.00 H new ATOM 0 HG LEU A 5 3.167 0.062 -12.905 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.481 0.242 -10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.123 -0.029 -11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.746 -1.374 -10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.638 -0.498 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.188 -2.207 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.085 -1.361 -12.429 1.00 0.00 H new ATOM 79 N ARG A 6 3.716 -4.701 -12.588 1.00 0.00 N ATOM 80 CA ARG A 6 4.584 -5.679 -11.901 1.00 0.00 C ATOM 81 C ARG A 6 5.621 -5.000 -10.989 1.00 0.00 C ATOM 82 O ARG A 6 6.311 -4.070 -11.416 1.00 0.00 O ATOM 83 CB ARG A 6 5.244 -6.596 -12.949 1.00 0.00 C ATOM 84 CG ARG A 6 6.049 -7.746 -12.321 1.00 0.00 C ATOM 85 CD ARG A 6 6.602 -8.683 -13.402 1.00 0.00 C ATOM 86 NE ARG A 6 7.396 -9.778 -12.806 1.00 0.00 N ATOM 87 CZ ARG A 6 7.971 -10.780 -13.451 1.00 0.00 C ATOM 88 NH1 ARG A 6 7.892 -10.908 -14.747 1.00 0.00 N ATOM 89 NH2 ARG A 6 8.648 -11.681 -12.799 1.00 0.00 N ATOM 0 H ARG A 6 3.967 -4.559 -13.566 1.00 0.00 H new ATOM 0 HA ARG A 6 3.968 -6.288 -11.239 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.472 -7.012 -13.597 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.904 -6.001 -13.580 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.871 -7.340 -11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.414 -8.309 -11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.778 -9.101 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.223 -8.116 -14.095 1.00 0.00 H new ATOM 0 HE ARG A 6 7.513 -9.759 -11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.374 -10.222 -15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.348 -11.694 -15.211 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.738 -11.617 -11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.089 -12.451 -13.302 1.00 0.00 H new ATOM 103 N SER A 7 5.767 -5.533 -9.771 1.00 0.00 N ATOM 104 CA SER A 7 6.681 -5.080 -8.700 1.00 0.00 C ATOM 105 C SER A 7 6.428 -3.651 -8.170 1.00 0.00 C ATOM 106 O SER A 7 5.730 -2.837 -8.778 1.00 0.00 O ATOM 107 CB SER A 7 8.154 -5.291 -9.095 1.00 0.00 C ATOM 108 OG SER A 7 8.399 -6.654 -9.426 1.00 0.00 O ATOM 0 H SER A 7 5.219 -6.343 -9.482 1.00 0.00 H new ATOM 0 HA SER A 7 6.448 -5.722 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.402 -4.656 -9.945 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.802 -4.990 -8.272 1.00 0.00 H new ATOM 0 HG SER A 7 9.340 -6.766 -9.676 1.00 0.00 H new ATOM 114 N SER A 8 6.988 -3.353 -6.992 1.00 0.00 N ATOM 115 CA SER A 8 6.869 -2.062 -6.287 1.00 0.00 C ATOM 116 C SER A 8 8.102 -1.768 -5.413 1.00 0.00 C ATOM 117 O SER A 8 8.907 -2.665 -5.136 1.00 0.00 O ATOM 118 CB SER A 8 5.591 -2.045 -5.428 1.00 0.00 C ATOM 119 OG SER A 8 5.611 -3.071 -4.443 1.00 0.00 O ATOM 0 H SER A 8 7.559 -4.026 -6.481 1.00 0.00 H new ATOM 0 HA SER A 8 6.809 -1.278 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.491 -1.075 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.719 -2.172 -6.069 1.00 0.00 H new ATOM 0 HG SER A 8 4.787 -3.032 -3.914 1.00 0.00 H new ATOM 125 N VAL A 9 8.255 -0.509 -4.978 1.00 0.00 N ATOM 126 CA VAL A 9 9.328 -0.048 -4.071 1.00 0.00 C ATOM 127 C VAL A 9 8.783 0.800 -2.915 1.00 0.00 C ATOM 128 O VAL A 9 7.768 1.488 -3.058 1.00 0.00 O ATOM 129 CB VAL A 9 10.444 0.721 -4.813 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.189 -0.181 -5.803 1.00 0.00 C ATOM 131 CG2 VAL A 9 9.948 1.963 -5.567 1.00 0.00 C ATOM 0 H VAL A 9 7.621 0.241 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 9 9.768 -0.954 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 9 11.117 1.055 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.966 0.395 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.644 -1.013 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.487 -0.567 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.789 2.448 -6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.211 1.666 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.491 2.658 -4.862 1.00 0.00 H new ATOM 141 N ASN A 10 9.461 0.762 -1.766 1.00 0.00 N ATOM 142 CA ASN A 10 9.142 1.568 -0.584 1.00 0.00 C ATOM 143 C ASN A 10 9.744 2.986 -0.683 1.00 0.00 C ATOM 144 O ASN A 10 10.751 3.198 -1.361 1.00 0.00 O ATOM 145 CB ASN A 10 9.618 0.797 0.669 1.00 0.00 C ATOM 146 CG ASN A 10 9.157 1.437 1.965 1.00 0.00 C ATOM 147 OD1 ASN A 10 9.900 2.126 2.648 1.00 0.00 O ATOM 148 ND2 ASN A 10 7.899 1.288 2.308 1.00 0.00 N ATOM 0 H ASN A 10 10.268 0.154 -1.628 1.00 0.00 H new ATOM 0 HA ASN A 10 8.065 1.721 -0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.246 -0.227 0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.707 0.742 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.541 1.748 3.145 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.279 0.713 1.737 1.00 0.00 H new ATOM 155 N HIS A 11 9.194 3.961 0.050 1.00 0.00 N ATOM 156 CA HIS A 11 9.724 5.338 0.076 1.00 0.00 C ATOM 157 C HIS A 11 11.184 5.420 0.558 1.00 0.00 C ATOM 158 O HIS A 11 11.932 6.264 0.066 1.00 0.00 O ATOM 159 CB HIS A 11 8.793 6.250 0.894 1.00 0.00 C ATOM 160 CG HIS A 11 8.694 5.908 2.363 1.00 0.00 C ATOM 161 ND1 HIS A 11 9.650 6.221 3.332 1.00 0.00 N ATOM 162 CD2 HIS A 11 7.636 5.293 2.965 1.00 0.00 C ATOM 163 CE1 HIS A 11 9.146 5.783 4.499 1.00 0.00 C ATOM 164 NE2 HIS A 11 7.938 5.222 4.308 1.00 0.00 N ATOM 0 H HIS A 11 8.374 3.824 0.640 1.00 0.00 H new ATOM 0 HA HIS A 11 9.744 5.695 -0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.141 7.279 0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.795 6.209 0.459 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.739 4.933 2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 11 9.641 5.869 5.455 1.00 0.00 H new ATOM 0 HE2 HIS A 11 7.347 4.814 5.033 1.00 0.00 H new ATOM 172 N ARG A 12 11.633 4.480 1.404 1.00 0.00 N ATOM 173 CA ARG A 12 13.049 4.337 1.808 1.00 0.00 C ATOM 174 C ARG A 12 13.980 4.040 0.632 1.00 0.00 C ATOM 175 O ARG A 12 15.100 4.533 0.594 1.00 0.00 O ATOM 176 CB ARG A 12 13.182 3.216 2.850 1.00 0.00 C ATOM 177 CG ARG A 12 12.485 3.549 4.178 1.00 0.00 C ATOM 178 CD ARG A 12 12.486 2.318 5.090 1.00 0.00 C ATOM 179 NE ARG A 12 11.745 2.565 6.341 1.00 0.00 N ATOM 180 CZ ARG A 12 10.444 2.444 6.541 1.00 0.00 C ATOM 181 NH1 ARG A 12 9.604 2.188 5.575 1.00 0.00 N ATOM 182 NH2 ARG A 12 9.953 2.585 7.738 1.00 0.00 N ATOM 0 H ARG A 12 11.020 3.788 1.834 1.00 0.00 H new ATOM 0 HA ARG A 12 13.352 5.295 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.759 2.297 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.239 3.025 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.996 4.377 4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.461 3.873 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.040 1.475 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.513 2.040 5.325 1.00 0.00 H new ATOM 0 HE ARG A 12 12.300 2.863 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.944 2.073 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.607 2.103 5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.572 2.789 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.949 2.492 7.892 1.00 0.00 H new ATOM 196 N GLU A 13 13.514 3.265 -0.345 1.00 0.00 N ATOM 197 CA GLU A 13 14.294 2.928 -1.548 1.00 0.00 C ATOM 198 C GLU A 13 14.380 4.127 -2.509 1.00 0.00 C ATOM 199 O GLU A 13 15.429 4.370 -3.103 1.00 0.00 O ATOM 200 CB GLU A 13 13.682 1.706 -2.252 1.00 0.00 C ATOM 201 CG GLU A 13 13.709 0.448 -1.375 1.00 0.00 C ATOM 202 CD GLU A 13 13.006 -0.729 -2.075 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.673 -1.477 -2.834 1.00 0.00 O ATOM 204 OE2 GLU A 13 11.784 -0.915 -1.853 1.00 0.00 O ATOM 0 H GLU A 13 12.583 2.849 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 13 15.309 2.680 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.652 1.929 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.227 1.513 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.741 0.179 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.220 0.654 -0.423 1.00 0.00 H new ATOM 211 N VAL A 14 13.309 4.928 -2.603 1.00 0.00 N ATOM 212 CA VAL A 14 13.316 6.209 -3.347 1.00 0.00 C ATOM 213 C VAL A 14 14.255 7.222 -2.670 1.00 0.00 C ATOM 214 O VAL A 14 15.032 7.896 -3.345 1.00 0.00 O ATOM 215 CB VAL A 14 11.888 6.787 -3.482 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.862 8.040 -4.366 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.916 5.778 -4.110 1.00 0.00 C ATOM 0 H VAL A 14 12.412 4.712 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 14 13.689 6.012 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 14 11.579 7.029 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.841 8.415 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.501 8.807 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.225 7.790 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.925 6.226 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.268 5.505 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.864 4.886 -3.486 1.00 0.00 H new ATOM 227 N ASP A 15 14.228 7.296 -1.337 1.00 0.00 N ATOM 228 CA ASP A 15 15.125 8.152 -0.552 1.00 0.00 C ATOM 229 C ASP A 15 16.600 7.735 -0.689 1.00 0.00 C ATOM 230 O ASP A 15 17.462 8.582 -0.917 1.00 0.00 O ATOM 231 CB ASP A 15 14.683 8.127 0.916 1.00 0.00 C ATOM 232 CG ASP A 15 15.408 9.214 1.710 1.00 0.00 C ATOM 233 OD1 ASP A 15 14.919 10.367 1.683 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.449 8.947 2.346 1.00 0.00 O ATOM 0 H ASP A 15 13.577 6.758 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 15 15.056 9.168 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.605 8.278 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.894 7.149 1.349 1.00 0.00 H new ATOM 239 N GLU A 16 16.888 6.431 -0.631 1.00 0.00 N ATOM 240 CA GLU A 16 18.223 5.873 -0.882 1.00 0.00 C ATOM 241 C GLU A 16 18.711 6.156 -2.310 1.00 0.00 C ATOM 242 O GLU A 16 19.874 6.518 -2.493 1.00 0.00 O ATOM 243 CB GLU A 16 18.198 4.361 -0.598 1.00 0.00 C ATOM 244 CG GLU A 16 19.531 3.678 -0.929 1.00 0.00 C ATOM 245 CD GLU A 16 19.513 2.204 -0.484 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.056 1.333 -1.266 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.962 1.897 0.650 1.00 0.00 O ATOM 0 H GLU A 16 16.191 5.722 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 16 18.931 6.361 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.960 4.196 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.402 3.898 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.719 3.737 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.347 4.203 -0.433 1.00 0.00 H new ATOM 254 N ALA A 17 17.840 6.043 -3.319 1.00 0.00 N ATOM 255 CA ALA A 17 18.200 6.379 -4.695 1.00 0.00 C ATOM 256 C ALA A 17 18.545 7.876 -4.836 1.00 0.00 C ATOM 257 O ALA A 17 19.560 8.224 -5.436 1.00 0.00 O ATOM 258 CB ALA A 17 17.060 5.960 -5.631 1.00 0.00 C ATOM 0 H ALA A 17 16.879 5.720 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 17 19.099 5.831 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.323 6.208 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.897 4.885 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.148 6.488 -5.352 1.00 0.00 H new ATOM 264 N ILE A 18 17.757 8.763 -4.220 1.00 0.00 N ATOM 265 CA ILE A 18 18.051 10.205 -4.150 1.00 0.00 C ATOM 266 C ILE A 18 19.399 10.465 -3.458 1.00 0.00 C ATOM 267 O ILE A 18 20.208 11.233 -3.974 1.00 0.00 O ATOM 268 CB ILE A 18 16.857 10.930 -3.472 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.736 11.096 -4.521 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.229 12.290 -2.847 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.373 11.450 -3.922 1.00 0.00 C ATOM 0 H ILE A 18 16.890 8.502 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 18 18.161 10.615 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 18 16.523 10.316 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.025 11.875 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.643 10.170 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.344 12.736 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.994 12.143 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.613 12.954 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.639 11.550 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.060 10.661 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.448 12.392 -3.379 1.00 0.00 H new ATOM 283 N ASP A 19 19.679 9.795 -2.339 1.00 0.00 N ATOM 284 CA ASP A 19 20.954 9.914 -1.617 1.00 0.00 C ATOM 285 C ASP A 19 22.146 9.411 -2.454 1.00 0.00 C ATOM 286 O ASP A 19 23.205 10.038 -2.487 1.00 0.00 O ATOM 287 CB ASP A 19 20.836 9.150 -0.288 1.00 0.00 C ATOM 288 CG ASP A 19 21.716 9.762 0.807 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.278 10.766 1.416 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.810 9.223 1.084 1.00 0.00 O ATOM 0 H ASP A 19 19.023 9.148 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 19 21.153 10.967 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.796 9.151 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.120 8.109 -0.442 1.00 0.00 H new ATOM 295 N ASN A 20 21.958 8.319 -3.203 1.00 0.00 N ATOM 296 CA ASN A 20 22.957 7.789 -4.129 1.00 0.00 C ATOM 297 C ASN A 20 23.247 8.758 -5.291 1.00 0.00 C ATOM 298 O ASN A 20 24.413 8.978 -5.604 1.00 0.00 O ATOM 299 CB ASN A 20 22.489 6.409 -4.625 1.00 0.00 C ATOM 300 CG ASN A 20 23.508 5.766 -5.553 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.404 5.829 -6.770 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.534 5.147 -5.013 1.00 0.00 N ATOM 0 H ASN A 20 21.096 7.774 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 20 23.905 7.676 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.313 5.756 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.538 6.514 -5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.243 4.720 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.621 5.094 -3.998 1.00 0.00 H new ATOM 309 N ILE A 21 22.225 9.403 -5.872 1.00 0.00 N ATOM 310 CA ILE A 21 22.413 10.449 -6.898 1.00 0.00 C ATOM 311 C ILE A 21 23.132 11.667 -6.304 1.00 0.00 C ATOM 312 O ILE A 21 24.077 12.181 -6.905 1.00 0.00 O ATOM 313 CB ILE A 21 21.061 10.806 -7.579 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.807 9.932 -8.829 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.003 12.270 -8.052 1.00 0.00 C ATOM 316 CD1 ILE A 21 20.602 8.438 -8.561 1.00 0.00 C ATOM 0 H ILE A 21 21.247 9.218 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 21 23.059 10.063 -7.686 1.00 0.00 H new ATOM 0 HB ILE A 21 20.306 10.629 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 21 19.926 10.315 -9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 21 21.651 10.048 -9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.038 12.463 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.132 12.934 -7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.799 12.451 -8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 21 20.432 7.919 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 21 21.489 8.030 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 21 19.738 8.300 -7.910 1.00 0.00 H new ATOM 328 N LEU A 22 22.731 12.112 -5.108 1.00 0.00 N ATOM 329 CA LEU A 22 23.342 13.245 -4.404 1.00 0.00 C ATOM 330 C LEU A 22 24.856 13.034 -4.182 1.00 0.00 C ATOM 331 O LEU A 22 25.656 13.934 -4.455 1.00 0.00 O ATOM 332 CB LEU A 22 22.556 13.409 -3.086 1.00 0.00 C ATOM 333 CG LEU A 22 23.054 14.507 -2.139 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.891 15.890 -2.759 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.236 14.472 -0.849 1.00 0.00 C ATOM 0 H LEU A 22 21.959 11.688 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 22 23.280 14.159 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.514 13.613 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.578 12.459 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 22 24.110 14.323 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.253 16.646 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.465 15.944 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.838 16.070 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.588 15.252 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.184 14.640 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.351 13.499 -0.371 1.00 0.00 H new ATOM 347 N ARG A 23 25.251 11.820 -3.767 1.00 0.00 N ATOM 348 CA ARG A 23 26.666 11.428 -3.620 1.00 0.00 C ATOM 349 C ARG A 23 27.377 11.272 -4.971 1.00 0.00 C ATOM 350 O ARG A 23 28.460 11.824 -5.150 1.00 0.00 O ATOM 351 CB ARG A 23 26.769 10.133 -2.795 1.00 0.00 C ATOM 352 CG ARG A 23 26.359 10.345 -1.331 1.00 0.00 C ATOM 353 CD ARG A 23 26.344 9.015 -0.572 1.00 0.00 C ATOM 354 NE ARG A 23 25.552 9.142 0.662 1.00 0.00 N ATOM 355 CZ ARG A 23 25.942 9.364 1.898 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.192 9.469 2.246 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.019 9.491 2.801 1.00 0.00 N ATOM 0 H ARG A 23 24.596 11.077 -3.522 1.00 0.00 H new ATOM 0 HA ARG A 23 27.176 12.234 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.134 9.368 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.792 9.760 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.053 11.035 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.371 10.804 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.923 8.232 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.363 8.715 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 23 24.544 9.042 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.926 9.379 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.437 9.642 3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.036 9.418 2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.277 9.664 3.773 1.00 0.00 H new ATOM 371 N TYR A 24 26.761 10.576 -5.932 1.00 0.00 N ATOM 372 CA TYR A 24 27.349 10.296 -7.250 1.00 0.00 C ATOM 373 C TYR A 24 27.663 11.573 -8.052 1.00 0.00 C ATOM 374 O TYR A 24 28.719 11.668 -8.679 1.00 0.00 O ATOM 375 CB TYR A 24 26.385 9.393 -8.035 1.00 0.00 C ATOM 376 CG TYR A 24 26.801 9.104 -9.467 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.884 8.243 -9.723 1.00 0.00 C ATOM 378 CD2 TYR A 24 26.108 9.703 -10.540 1.00 0.00 C ATOM 379 CE1 TYR A 24 28.280 7.981 -11.049 1.00 0.00 C ATOM 380 CE2 TYR A 24 26.492 9.436 -11.869 1.00 0.00 C ATOM 381 CZ TYR A 24 27.582 8.574 -12.125 1.00 0.00 C ATOM 382 OH TYR A 24 27.972 8.306 -13.404 1.00 0.00 O ATOM 0 H TYR A 24 25.826 10.185 -5.816 1.00 0.00 H new ATOM 0 HA TYR A 24 28.304 9.795 -7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.283 8.447 -7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.400 9.860 -8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.412 7.782 -8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.281 10.368 -10.342 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.117 7.327 -11.243 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.955 9.889 -12.689 1.00 0.00 H new ATOM 0 HH TYR A 24 27.393 8.788 -14.030 1.00 0.00 H new ATOM 392 N THR A 25 26.781 12.580 -7.992 1.00 0.00 N ATOM 393 CA THR A 25 27.005 13.875 -8.664 1.00 0.00 C ATOM 394 C THR A 25 27.912 14.832 -7.875 1.00 0.00 C ATOM 395 O THR A 25 28.236 15.912 -8.374 1.00 0.00 O ATOM 396 CB THR A 25 25.690 14.567 -9.040 1.00 0.00 C ATOM 397 OG1 THR A 25 24.998 14.968 -7.881 1.00 0.00 O ATOM 398 CG2 THR A 25 24.742 13.708 -9.875 1.00 0.00 C ATOM 0 H THR A 25 25.899 12.525 -7.482 1.00 0.00 H new ATOM 0 HA THR A 25 27.537 13.625 -9.582 1.00 0.00 H new ATOM 0 HB THR A 25 25.987 15.420 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.640 14.178 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.837 14.274 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.231 13.427 -10.808 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.480 12.809 -9.318 1.00 0.00 H new ATOM 406 N ASN A 26 28.333 14.461 -6.657 1.00 0.00 N ATOM 407 CA ASN A 26 29.148 15.279 -5.751 1.00 0.00 C ATOM 408 C ASN A 26 28.528 16.675 -5.519 1.00 0.00 C ATOM 409 O ASN A 26 29.135 17.709 -5.809 1.00 0.00 O ATOM 410 CB ASN A 26 30.616 15.271 -6.225 1.00 0.00 C ATOM 411 CG ASN A 26 31.585 15.857 -5.203 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.276 16.061 -4.037 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.811 16.120 -5.600 1.00 0.00 N ATOM 0 H ASN A 26 28.106 13.548 -6.262 1.00 0.00 H new ATOM 0 HA ASN A 26 29.154 14.840 -4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.912 14.246 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.693 15.836 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.493 16.490 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.080 15.954 -6.570 1.00 0.00 H new ATOM 420 N SER A 27 27.268 16.672 -5.072 1.00 0.00 N ATOM 421 CA SER A 27 26.432 17.882 -4.953 1.00 0.00 C ATOM 422 C SER A 27 25.867 18.084 -3.539 1.00 0.00 C ATOM 423 O SER A 27 25.863 17.162 -2.723 1.00 0.00 O ATOM 424 CB SER A 27 25.287 17.832 -5.967 1.00 0.00 C ATOM 425 OG SER A 27 25.799 17.607 -7.269 1.00 0.00 O ATOM 0 H SER A 27 26.789 15.821 -4.778 1.00 0.00 H new ATOM 0 HA SER A 27 27.080 18.733 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.589 17.038 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.729 18.768 -5.944 1.00 0.00 H new ATOM 0 HG SER A 27 25.578 16.696 -7.554 1.00 0.00 H new ATOM 431 N THR A 28 25.357 19.288 -3.257 1.00 0.00 N ATOM 432 CA THR A 28 24.576 19.578 -2.036 1.00 0.00 C ATOM 433 C THR A 28 23.082 19.327 -2.259 1.00 0.00 C ATOM 434 O THR A 28 22.589 19.339 -3.388 1.00 0.00 O ATOM 435 CB THR A 28 24.801 21.008 -1.513 1.00 0.00 C ATOM 436 OG1 THR A 28 24.158 21.938 -2.353 1.00 0.00 O ATOM 437 CG2 THR A 28 26.274 21.399 -1.420 1.00 0.00 C ATOM 0 H THR A 28 25.472 20.096 -3.868 1.00 0.00 H new ATOM 0 HA THR A 28 24.940 18.890 -1.272 1.00 0.00 H new ATOM 0 HB THR A 28 24.384 21.023 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.306 22.844 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 28 26.357 22.419 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.789 20.719 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.730 21.338 -2.408 1.00 0.00 H new ATOM 445 N GLU A 29 22.316 19.133 -1.182 1.00 0.00 N ATOM 446 CA GLU A 29 20.856 18.957 -1.289 1.00 0.00 C ATOM 447 C GLU A 29 20.148 20.229 -1.802 1.00 0.00 C ATOM 448 O GLU A 29 19.169 20.142 -2.544 1.00 0.00 O ATOM 449 CB GLU A 29 20.300 18.447 0.053 1.00 0.00 C ATOM 450 CG GLU A 29 20.294 19.488 1.184 1.00 0.00 C ATOM 451 CD GLU A 29 19.861 18.848 2.519 1.00 0.00 C ATOM 452 OE1 GLU A 29 18.641 18.792 2.806 1.00 0.00 O ATOM 453 OE2 GLU A 29 20.743 18.409 3.297 1.00 0.00 O ATOM 0 H GLU A 29 22.676 19.093 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 29 20.646 18.201 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.281 18.094 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.890 17.588 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.288 19.922 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 29 19.616 20.303 0.930 1.00 0.00 H new ATOM 460 N GLN A 30 20.701 21.410 -1.493 1.00 0.00 N ATOM 461 CA GLN A 30 20.227 22.691 -2.036 1.00 0.00 C ATOM 462 C GLN A 30 20.505 22.802 -3.546 1.00 0.00 C ATOM 463 O GLN A 30 19.630 23.239 -4.293 1.00 0.00 O ATOM 464 CB GLN A 30 20.864 23.864 -1.269 1.00 0.00 C ATOM 465 CG GLN A 30 20.389 23.932 0.196 1.00 0.00 C ATOM 466 CD GLN A 30 20.958 25.125 0.972 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.729 25.942 0.480 1.00 0.00 O ATOM 468 NE2 GLN A 30 20.595 25.278 2.229 1.00 0.00 N ATOM 0 H GLN A 30 21.493 21.504 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 30 19.146 22.735 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.949 23.764 -1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.619 24.800 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.300 23.984 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.673 23.010 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.955 24.611 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.954 26.063 2.772 1.00 0.00 H new ATOM 477 N GLN A 31 21.672 22.341 -4.020 1.00 0.00 N ATOM 478 CA GLN A 31 21.967 22.257 -5.461 1.00 0.00 C ATOM 479 C GLN A 31 21.020 21.286 -6.179 1.00 0.00 C ATOM 480 O GLN A 31 20.558 21.589 -7.275 1.00 0.00 O ATOM 481 CB GLN A 31 23.425 21.819 -5.676 1.00 0.00 C ATOM 482 CG GLN A 31 24.440 22.937 -5.387 1.00 0.00 C ATOM 483 CD GLN A 31 25.881 22.429 -5.278 1.00 0.00 C ATOM 484 OE1 GLN A 31 26.174 21.240 -5.344 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.843 23.308 -5.099 1.00 0.00 N ATOM 0 H GLN A 31 22.433 22.018 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 31 21.816 23.249 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.640 20.966 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.549 21.481 -6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 31 24.384 23.684 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 31 24.166 23.436 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 31 26.621 24.302 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.811 22.996 -5.018 1.00 0.00 H new ATOM 494 N PHE A 32 20.678 20.143 -5.569 1.00 0.00 N ATOM 495 CA PHE A 32 19.736 19.180 -6.165 1.00 0.00 C ATOM 496 C PHE A 32 18.303 19.745 -6.216 1.00 0.00 C ATOM 497 O PHE A 32 17.645 19.643 -7.250 1.00 0.00 O ATOM 498 CB PHE A 32 19.849 17.835 -5.421 1.00 0.00 C ATOM 499 CG PHE A 32 19.257 16.579 -6.063 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.627 16.579 -7.329 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.378 15.360 -5.371 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.095 15.392 -7.863 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.861 14.170 -5.913 1.00 0.00 C ATOM 504 CZ PHE A 32 18.204 14.188 -7.153 1.00 0.00 C ATOM 0 H PHE A 32 21.041 19.860 -4.659 1.00 0.00 H new ATOM 0 HA PHE A 32 20.001 19.000 -7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.908 17.646 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.379 17.958 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.554 17.499 -7.891 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.874 15.338 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.601 15.408 -8.823 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.970 13.240 -5.374 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.785 13.279 -7.558 1.00 0.00 H new ATOM 514 N LEU A 33 17.852 20.441 -5.168 1.00 0.00 N ATOM 515 CA LEU A 33 16.579 21.179 -5.177 1.00 0.00 C ATOM 516 C LEU A 33 16.551 22.250 -6.274 1.00 0.00 C ATOM 517 O LEU A 33 15.616 22.286 -7.071 1.00 0.00 O ATOM 518 CB LEU A 33 16.328 21.716 -3.752 1.00 0.00 C ATOM 519 CG LEU A 33 14.966 22.373 -3.433 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.786 23.759 -4.052 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.779 21.492 -3.831 1.00 0.00 C ATOM 0 H LEU A 33 18.359 20.511 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 33 15.751 20.519 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.465 20.887 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.106 22.447 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 33 14.981 22.490 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.806 24.153 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.561 24.428 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.862 23.686 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.848 22.003 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.813 21.298 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.829 20.547 -3.289 1.00 0.00 H new ATOM 533 N GLU A 34 17.608 23.055 -6.385 1.00 0.00 N ATOM 534 CA GLU A 34 17.721 24.094 -7.417 1.00 0.00 C ATOM 535 C GLU A 34 17.757 23.514 -8.840 1.00 0.00 C ATOM 536 O GLU A 34 17.095 24.038 -9.736 1.00 0.00 O ATOM 537 CB GLU A 34 18.954 24.966 -7.119 1.00 0.00 C ATOM 538 CG GLU A 34 19.076 26.164 -8.069 1.00 0.00 C ATOM 539 CD GLU A 34 20.243 27.078 -7.650 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.408 26.807 -8.033 1.00 0.00 O ATOM 541 OE2 GLU A 34 20.005 28.085 -6.934 1.00 0.00 O ATOM 0 H GLU A 34 18.414 23.007 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 34 16.826 24.715 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.899 25.326 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.853 24.355 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.233 25.811 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.145 26.731 -8.068 1.00 0.00 H new ATOM 548 N ALA A 35 18.462 22.402 -9.048 1.00 0.00 N ATOM 549 CA ALA A 35 18.514 21.707 -10.339 1.00 0.00 C ATOM 550 C ALA A 35 17.152 21.109 -10.725 1.00 0.00 C ATOM 551 O ALA A 35 16.722 21.253 -11.865 1.00 0.00 O ATOM 552 CB ALA A 35 19.618 20.640 -10.278 1.00 0.00 C ATOM 0 H ALA A 35 19.018 21.953 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 35 18.753 22.424 -11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.669 20.114 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.576 21.119 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.393 19.929 -9.483 1.00 0.00 H new ATOM 558 N MET A 36 16.429 20.494 -9.784 1.00 0.00 N ATOM 559 CA MET A 36 15.070 19.975 -10.029 1.00 0.00 C ATOM 560 C MET A 36 14.065 21.104 -10.298 1.00 0.00 C ATOM 561 O MET A 36 13.264 20.990 -11.222 1.00 0.00 O ATOM 562 CB MET A 36 14.631 19.093 -8.847 1.00 0.00 C ATOM 563 CG MET A 36 15.414 17.772 -8.808 1.00 0.00 C ATOM 564 SD MET A 36 14.979 16.574 -10.101 1.00 0.00 S ATOM 565 CE MET A 36 13.440 15.905 -9.415 1.00 0.00 C ATOM 0 H MET A 36 16.763 20.340 -8.833 1.00 0.00 H new ATOM 0 HA MET A 36 15.092 19.364 -10.931 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.781 19.634 -7.913 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.564 18.883 -8.925 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.478 17.997 -8.887 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.258 17.305 -7.836 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.095 15.078 -10.035 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.619 15.548 -8.401 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.680 16.686 -9.396 1.00 0.00 H new ATOM 575 N GLU A 37 14.155 22.224 -9.574 1.00 0.00 N ATOM 576 CA GLU A 37 13.311 23.406 -9.810 1.00 0.00 C ATOM 577 C GLU A 37 13.603 24.054 -11.180 1.00 0.00 C ATOM 578 O GLU A 37 12.678 24.440 -11.897 1.00 0.00 O ATOM 579 CB GLU A 37 13.532 24.409 -8.661 1.00 0.00 C ATOM 580 CG GLU A 37 12.487 25.529 -8.572 1.00 0.00 C ATOM 581 CD GLU A 37 11.196 25.073 -7.856 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.563 24.075 -8.269 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.797 25.686 -6.836 1.00 0.00 O ATOM 0 H GLU A 37 14.816 22.340 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 37 12.266 23.098 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.539 23.863 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.518 24.860 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.914 26.379 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.240 25.873 -9.576 1.00 0.00 H new ATOM 590 N SER A 38 14.880 24.102 -11.583 1.00 0.00 N ATOM 591 CA SER A 38 15.314 24.678 -12.868 1.00 0.00 C ATOM 592 C SER A 38 14.985 23.798 -14.085 1.00 0.00 C ATOM 593 O SER A 38 14.883 24.309 -15.201 1.00 0.00 O ATOM 594 CB SER A 38 16.826 24.944 -12.852 1.00 0.00 C ATOM 595 OG SER A 38 17.185 25.817 -11.796 1.00 0.00 O ATOM 0 H SER A 38 15.651 23.739 -11.022 1.00 0.00 H new ATOM 0 HA SER A 38 14.754 25.607 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.362 24.001 -12.745 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.131 25.378 -13.804 1.00 0.00 H new ATOM 0 HG SER A 38 17.153 25.332 -10.945 1.00 0.00 H new ATOM 601 N THR A 39 14.815 22.483 -13.883 1.00 0.00 N ATOM 602 CA THR A 39 14.565 21.500 -14.965 1.00 0.00 C ATOM 603 C THR A 39 13.119 20.990 -15.024 1.00 0.00 C ATOM 604 O THR A 39 12.797 20.141 -15.858 1.00 0.00 O ATOM 605 CB THR A 39 15.544 20.315 -14.886 1.00 0.00 C ATOM 606 OG1 THR A 39 15.429 19.668 -13.642 1.00 0.00 O ATOM 607 CG2 THR A 39 16.998 20.750 -15.059 1.00 0.00 C ATOM 0 H THR A 39 14.846 22.060 -12.955 1.00 0.00 H new ATOM 0 HA THR A 39 14.737 22.048 -15.891 1.00 0.00 H new ATOM 0 HB THR A 39 15.279 19.641 -15.701 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.813 20.236 -12.941 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.649 19.878 -14.995 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.122 21.225 -16.032 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.262 21.458 -14.273 1.00 0.00 H new ATOM 615 N GLY A 40 12.233 21.487 -14.151 1.00 0.00 N ATOM 616 CA GLY A 40 10.825 21.060 -14.098 1.00 0.00 C ATOM 617 C GLY A 40 10.645 19.643 -13.539 1.00 0.00 C ATOM 618 O GLY A 40 9.695 18.947 -13.901 1.00 0.00 O ATOM 0 H GLY A 40 12.471 22.198 -13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.262 21.761 -13.482 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.400 21.105 -15.101 1.00 0.00 H new ATOM 622 N GLY A 41 11.581 19.199 -12.691 1.00 0.00 N ATOM 623 CA GLY A 41 11.558 17.877 -12.055 1.00 0.00 C ATOM 624 C GLY A 41 12.055 16.715 -12.914 1.00 0.00 C ATOM 625 O GLY A 41 11.921 15.569 -12.491 1.00 0.00 O ATOM 0 H GLY A 41 12.390 19.759 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.164 17.920 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.536 17.662 -11.744 1.00 0.00 H new ATOM 629 N ARG A 42 12.647 16.957 -14.093 1.00 0.00 N ATOM 630 CA ARG A 42 13.251 15.885 -14.910 1.00 0.00 C ATOM 631 C ARG A 42 14.573 15.434 -14.300 1.00 0.00 C ATOM 632 O ARG A 42 15.611 16.039 -14.553 1.00 0.00 O ATOM 633 CB ARG A 42 13.416 16.341 -16.371 1.00 0.00 C ATOM 634 CG ARG A 42 12.110 16.166 -17.161 1.00 0.00 C ATOM 635 CD ARG A 42 12.434 15.913 -18.637 1.00 0.00 C ATOM 636 NE ARG A 42 11.250 15.448 -19.384 1.00 0.00 N ATOM 637 CZ ARG A 42 10.242 16.154 -19.871 1.00 0.00 C ATOM 638 NH1 ARG A 42 10.154 17.446 -19.738 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.292 15.536 -20.512 1.00 0.00 N ATOM 0 H ARG A 42 12.722 17.887 -14.506 1.00 0.00 H new ATOM 0 HA ARG A 42 12.581 15.025 -14.915 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.721 17.387 -16.395 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.211 15.766 -16.846 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.537 15.332 -16.756 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.490 17.057 -17.062 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.812 16.830 -19.089 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.227 15.169 -18.713 1.00 0.00 H new ATOM 0 HE ARG A 42 11.201 14.442 -19.548 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.882 17.958 -19.240 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.357 17.946 -20.131 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.332 14.524 -20.632 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.507 16.064 -20.894 1.00 0.00 H new ATOM 653 N VAL A 43 14.558 14.319 -13.570 1.00 0.00 N ATOM 654 CA VAL A 43 15.747 13.805 -12.856 1.00 0.00 C ATOM 655 C VAL A 43 16.939 13.574 -13.794 1.00 0.00 C ATOM 656 O VAL A 43 18.056 13.908 -13.420 1.00 0.00 O ATOM 657 CB VAL A 43 15.403 12.580 -11.973 1.00 0.00 C ATOM 658 CG1 VAL A 43 14.820 11.399 -12.753 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.614 12.096 -11.165 1.00 0.00 C ATOM 0 H VAL A 43 13.726 13.740 -13.451 1.00 0.00 H new ATOM 0 HA VAL A 43 16.074 14.585 -12.168 1.00 0.00 H new ATOM 0 HB VAL A 43 14.630 12.943 -11.295 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.605 10.580 -12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.900 11.709 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.540 11.066 -13.501 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.328 11.236 -10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.415 11.810 -11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.961 12.898 -10.514 1.00 0.00 H new ATOM 669 N ARG A 44 16.720 13.159 -15.053 1.00 0.00 N ATOM 670 CA ARG A 44 17.805 13.003 -16.054 1.00 0.00 C ATOM 671 C ARG A 44 18.533 14.316 -16.386 1.00 0.00 C ATOM 672 O ARG A 44 19.763 14.371 -16.385 1.00 0.00 O ATOM 673 CB ARG A 44 17.273 12.249 -17.298 1.00 0.00 C ATOM 674 CG ARG A 44 16.223 12.984 -18.161 1.00 0.00 C ATOM 675 CD ARG A 44 15.561 12.038 -19.172 1.00 0.00 C ATOM 676 NE ARG A 44 16.476 11.621 -20.254 1.00 0.00 N ATOM 677 CZ ARG A 44 16.256 10.645 -21.118 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.214 9.868 -21.051 1.00 0.00 N ATOM 679 NH2 ARG A 44 17.082 10.418 -22.098 1.00 0.00 N ATOM 0 H ARG A 44 15.794 12.922 -15.410 1.00 0.00 H new ATOM 0 HA ARG A 44 18.586 12.389 -15.606 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.123 12.001 -17.934 1.00 0.00 H new ATOM 0 HB3 ARG A 44 16.839 11.306 -16.964 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.460 13.419 -17.515 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.700 13.809 -18.691 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.197 11.153 -18.650 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.692 12.531 -19.608 1.00 0.00 H new ATOM 0 HE ARG A 44 17.355 12.131 -20.342 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.526 10.000 -20.309 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.085 9.127 -21.740 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.914 10.997 -22.208 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.897 9.661 -22.756 1.00 0.00 H new ATOM 693 N ILE A 45 17.776 15.401 -16.567 1.00 0.00 N ATOM 694 CA ILE A 45 18.340 16.739 -16.853 1.00 0.00 C ATOM 695 C ILE A 45 18.933 17.337 -15.571 1.00 0.00 C ATOM 696 O ILE A 45 19.982 17.970 -15.614 1.00 0.00 O ATOM 697 CB ILE A 45 17.303 17.683 -17.514 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.618 17.002 -18.724 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.990 18.987 -17.971 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.596 17.878 -19.462 1.00 0.00 C ATOM 0 H ILE A 45 16.757 15.386 -16.521 1.00 0.00 H new ATOM 0 HA ILE A 45 19.142 16.625 -17.582 1.00 0.00 H new ATOM 0 HB ILE A 45 16.538 17.915 -16.773 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.387 16.691 -19.431 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.118 16.097 -18.379 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.253 19.643 -18.434 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.431 19.487 -17.109 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.772 18.752 -18.693 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.169 17.317 -20.293 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.802 18.168 -18.774 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.091 18.771 -19.843 1.00 0.00 H new ATOM 712 N ALA A 46 18.328 17.077 -14.412 1.00 0.00 N ATOM 713 CA ALA A 46 18.853 17.515 -13.122 1.00 0.00 C ATOM 714 C ALA A 46 20.208 16.859 -12.814 1.00 0.00 C ATOM 715 O ALA A 46 21.158 17.572 -12.504 1.00 0.00 O ATOM 716 CB ALA A 46 17.810 17.250 -12.029 1.00 0.00 C ATOM 0 H ALA A 46 17.455 16.554 -14.343 1.00 0.00 H new ATOM 0 HA ALA A 46 19.041 18.588 -13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.201 17.577 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.897 17.801 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.589 16.183 -11.988 1.00 0.00 H new ATOM 722 N ILE A 47 20.366 15.540 -12.989 1.00 0.00 N ATOM 723 CA ILE A 47 21.676 14.885 -12.803 1.00 0.00 C ATOM 724 C ILE A 47 22.681 15.306 -13.881 1.00 0.00 C ATOM 725 O ILE A 47 23.838 15.535 -13.543 1.00 0.00 O ATOM 726 CB ILE A 47 21.592 13.351 -12.622 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.158 12.594 -13.894 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.695 13.038 -11.412 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.066 11.070 -13.733 1.00 0.00 C ATOM 0 H ILE A 47 19.613 14.907 -13.257 1.00 0.00 H new ATOM 0 HA ILE A 47 22.059 15.251 -11.850 1.00 0.00 H new ATOM 0 HB ILE A 47 22.599 12.981 -12.429 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.186 12.972 -14.211 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.864 12.819 -14.693 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.630 11.958 -11.277 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.121 13.491 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.698 13.443 -11.584 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.754 10.623 -14.677 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.041 10.675 -13.449 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.337 10.829 -12.959 1.00 0.00 H new ATOM 741 N ALA A 48 22.255 15.530 -15.131 1.00 0.00 N ATOM 742 CA ALA A 48 23.119 16.135 -16.156 1.00 0.00 C ATOM 743 C ALA A 48 23.643 17.528 -15.741 1.00 0.00 C ATOM 744 O ALA A 48 24.844 17.800 -15.830 1.00 0.00 O ATOM 745 CB ALA A 48 22.318 16.186 -17.462 1.00 0.00 C ATOM 0 H ALA A 48 21.316 15.301 -15.458 1.00 0.00 H new ATOM 0 HA ALA A 48 24.014 15.527 -16.288 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.930 16.630 -18.247 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.032 15.175 -17.753 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.422 16.789 -17.316 1.00 0.00 H new ATOM 751 N LYS A 49 22.768 18.383 -15.191 1.00 0.00 N ATOM 752 CA LYS A 49 23.121 19.715 -14.661 1.00 0.00 C ATOM 753 C LYS A 49 24.053 19.614 -13.449 1.00 0.00 C ATOM 754 O LYS A 49 25.065 20.305 -13.410 1.00 0.00 O ATOM 755 CB LYS A 49 21.809 20.465 -14.344 1.00 0.00 C ATOM 756 CG LYS A 49 21.997 21.967 -14.092 1.00 0.00 C ATOM 757 CD LYS A 49 22.282 22.751 -15.385 1.00 0.00 C ATOM 758 CE LYS A 49 22.410 24.239 -15.044 1.00 0.00 C ATOM 759 NZ LYS A 49 22.548 25.088 -16.262 1.00 0.00 N ATOM 0 H LYS A 49 21.775 18.167 -15.099 1.00 0.00 H new ATOM 0 HA LYS A 49 23.683 20.279 -15.406 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.115 20.330 -15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.347 20.014 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.101 22.367 -13.618 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.820 22.114 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.199 22.390 -15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.478 22.597 -16.105 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.533 24.557 -14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.276 24.389 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.580 26.090 -15.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.425 24.838 -16.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.735 24.929 -16.890 1.00 0.00 H new ATOM 773 N LEU A 50 23.776 18.708 -12.510 1.00 0.00 N ATOM 774 CA LEU A 50 24.614 18.473 -11.324 1.00 0.00 C ATOM 775 C LEU A 50 25.989 17.882 -11.671 1.00 0.00 C ATOM 776 O LEU A 50 26.958 18.199 -10.990 1.00 0.00 O ATOM 777 CB LEU A 50 23.883 17.545 -10.335 1.00 0.00 C ATOM 778 CG LEU A 50 22.656 18.117 -9.608 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.107 17.036 -8.675 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.989 19.362 -8.789 1.00 0.00 C ATOM 0 H LEU A 50 22.953 18.107 -12.549 1.00 0.00 H new ATOM 0 HA LEU A 50 24.789 19.446 -10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.568 16.654 -10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.601 17.222 -9.582 1.00 0.00 H new ATOM 0 HG LEU A 50 21.922 18.411 -10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.234 17.420 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 50 21.822 16.161 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.873 16.755 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.087 19.725 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.738 19.113 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.380 20.137 -9.448 1.00 0.00 H new ATOM 792 N LEU A 51 26.103 17.061 -12.717 1.00 0.00 N ATOM 793 CA LEU A 51 27.394 16.557 -13.212 1.00 0.00 C ATOM 794 C LEU A 51 28.196 17.650 -13.942 1.00 0.00 C ATOM 795 O LEU A 51 29.415 17.722 -13.786 1.00 0.00 O ATOM 796 CB LEU A 51 27.157 15.346 -14.136 1.00 0.00 C ATOM 797 CG LEU A 51 26.716 14.066 -13.399 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.200 13.034 -14.402 1.00 0.00 C ATOM 799 CD2 LEU A 51 27.862 13.430 -12.607 1.00 0.00 C ATOM 0 H LEU A 51 25.301 16.723 -13.250 1.00 0.00 H new ATOM 0 HA LEU A 51 27.989 16.246 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.397 15.608 -14.872 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.075 15.137 -14.686 1.00 0.00 H new ATOM 0 HG LEU A 51 25.930 14.359 -12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.891 12.134 -13.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.348 13.447 -14.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.992 12.785 -15.108 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.503 12.532 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.672 13.166 -13.287 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.228 14.139 -11.864 1.00 0.00 H new ATOM 811 N SER A 52 27.517 18.513 -14.708 1.00 0.00 N ATOM 812 CA SER A 52 28.180 19.575 -15.490 1.00 0.00 C ATOM 813 C SER A 52 28.561 20.811 -14.656 1.00 0.00 C ATOM 814 O SER A 52 29.567 21.458 -14.953 1.00 0.00 O ATOM 815 CB SER A 52 27.296 20.002 -16.669 1.00 0.00 C ATOM 816 OG SER A 52 26.990 18.902 -17.518 1.00 0.00 O ATOM 0 H SER A 52 26.502 18.499 -14.806 1.00 0.00 H new ATOM 0 HA SER A 52 29.112 19.141 -15.853 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.372 20.440 -16.292 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.804 20.776 -17.244 1.00 0.00 H new ATOM 0 HG SER A 52 26.254 18.384 -17.130 1.00 0.00 H new ATOM 822 N LYS A 53 27.762 21.154 -13.627 1.00 0.00 N ATOM 823 CA LYS A 53 27.899 22.334 -12.732 1.00 0.00 C ATOM 824 C LYS A 53 28.093 23.667 -13.471 1.00 0.00 C ATOM 825 O LYS A 53 28.759 24.576 -12.974 1.00 0.00 O ATOM 826 CB LYS A 53 28.969 22.087 -11.653 1.00 0.00 C ATOM 827 CG LYS A 53 28.737 20.758 -10.935 1.00 0.00 C ATOM 828 CD LYS A 53 29.622 20.608 -9.687 1.00 0.00 C ATOM 829 CE LYS A 53 29.626 19.188 -9.093 1.00 0.00 C ATOM 830 NZ LYS A 53 28.290 18.746 -8.608 1.00 0.00 N ATOM 0 H LYS A 53 26.953 20.585 -13.378 1.00 0.00 H new ATOM 0 HA LYS A 53 26.939 22.448 -12.229 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.958 22.087 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.953 22.902 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.689 20.682 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.939 19.936 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 53 30.644 20.887 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.281 21.309 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.980 18.487 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.335 19.150 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 28.362 17.783 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.959 19.394 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.614 18.751 -9.399 1.00 0.00 H new ATOM 844 N GLN A 54 27.526 23.768 -14.677 1.00 0.00 N ATOM 845 CA GLN A 54 27.798 24.858 -15.618 1.00 0.00 C ATOM 846 C GLN A 54 26.750 25.989 -15.590 1.00 0.00 C ATOM 847 O GLN A 54 25.629 25.803 -15.112 1.00 0.00 O ATOM 848 CB GLN A 54 28.084 24.292 -17.026 1.00 0.00 C ATOM 849 CG GLN A 54 26.921 23.573 -17.744 1.00 0.00 C ATOM 850 CD GLN A 54 25.914 24.513 -18.405 1.00 0.00 C ATOM 851 OE1 GLN A 54 24.812 24.723 -17.916 1.00 0.00 O ATOM 852 NE2 GLN A 54 26.243 25.107 -19.531 1.00 0.00 N ATOM 0 H GLN A 54 26.856 23.085 -15.032 1.00 0.00 H new ATOM 0 HA GLN A 54 28.705 25.361 -15.282 1.00 0.00 H new ATOM 0 HB2 GLN A 54 28.417 25.114 -17.660 1.00 0.00 H new ATOM 0 HB3 GLN A 54 28.917 23.593 -16.947 1.00 0.00 H new ATOM 0 HG2 GLN A 54 27.333 22.909 -18.504 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.396 22.946 -17.023 1.00 0.00 H new ATOM 0 HE21 GLN A 54 27.159 24.939 -19.947 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.582 25.736 -19.988 1.00 0.00 H new ATOM 861 N THR A 55 27.119 27.154 -16.129 1.00 0.00 N ATOM 862 CA THR A 55 26.291 28.376 -16.212 1.00 0.00 C ATOM 863 C THR A 55 25.979 28.768 -17.666 1.00 0.00 C ATOM 864 O THR A 55 26.656 28.330 -18.600 1.00 0.00 O ATOM 865 CB THR A 55 26.964 29.548 -15.470 1.00 0.00 C ATOM 866 OG1 THR A 55 28.267 29.779 -15.970 1.00 0.00 O ATOM 867 CG2 THR A 55 27.080 29.277 -13.968 1.00 0.00 C ATOM 0 H THR A 55 28.043 27.285 -16.540 1.00 0.00 H new ATOM 0 HA THR A 55 25.343 28.151 -15.724 1.00 0.00 H new ATOM 0 HB THR A 55 26.332 30.421 -15.635 1.00 0.00 H new ATOM 0 HG1 THR A 55 28.675 30.528 -15.487 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.559 30.126 -13.481 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.085 29.131 -13.547 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.678 28.380 -13.805 1.00 0.00 H new ATOM 875 N SER A 56 24.938 29.583 -17.867 1.00 0.00 N ATOM 876 CA SER A 56 24.433 30.004 -19.189 1.00 0.00 C ATOM 877 C SER A 56 24.065 31.497 -19.241 1.00 0.00 C ATOM 878 O SER A 56 23.889 32.154 -18.209 1.00 0.00 O ATOM 879 CB SER A 56 23.234 29.128 -19.591 1.00 0.00 C ATOM 880 OG SER A 56 22.185 29.220 -18.635 1.00 0.00 O ATOM 0 H SER A 56 24.404 29.983 -17.095 1.00 0.00 H new ATOM 0 HA SER A 56 25.242 29.866 -19.907 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.866 29.438 -20.569 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.554 28.090 -19.685 1.00 0.00 H new ATOM 0 HG SER A 56 21.435 28.655 -18.916 1.00 0.00 H new ATOM 886 N GLY A 57 23.966 32.048 -20.459 1.00 0.00 N ATOM 887 CA GLY A 57 23.572 33.444 -20.718 1.00 0.00 C ATOM 888 C GLY A 57 24.675 34.501 -20.532 1.00 0.00 C ATOM 889 O GLY A 57 24.417 35.691 -20.718 1.00 0.00 O ATOM 0 H GLY A 57 24.162 31.525 -21.313 1.00 0.00 H new ATOM 0 HA2 GLY A 57 23.200 33.512 -21.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.741 33.695 -20.059 1.00 0.00 H new ATOM 893 N GLY A 58 25.904 34.095 -20.183 1.00 0.00 N ATOM 894 CA GLY A 58 27.046 34.998 -19.956 1.00 0.00 C ATOM 895 C GLY A 58 27.720 35.535 -21.230 1.00 0.00 C ATOM 896 O GLY A 58 28.469 36.512 -21.157 1.00 0.00 O ATOM 0 H GLY A 58 26.139 33.112 -20.048 1.00 0.00 H new ATOM 0 HA2 GLY A 58 26.706 35.845 -19.360 1.00 0.00 H new ATOM 0 HA3 GLY A 58 27.794 34.470 -19.364 1.00 0.00 H new ATOM 900 N SER A 59 27.450 34.923 -22.390 1.00 0.00 N ATOM 901 CA SER A 59 27.991 35.295 -23.712 1.00 0.00 C ATOM 902 C SER A 59 26.916 35.250 -24.811 1.00 0.00 C ATOM 903 O SER A 59 25.936 34.504 -24.709 1.00 0.00 O ATOM 904 CB SER A 59 29.146 34.360 -24.113 1.00 0.00 C ATOM 905 OG SER A 59 30.259 34.488 -23.236 1.00 0.00 O ATOM 0 H SER A 59 26.822 34.120 -22.440 1.00 0.00 H new ATOM 0 HA SER A 59 28.354 36.319 -23.620 1.00 0.00 H new ATOM 0 HB2 SER A 59 28.796 33.328 -24.108 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.459 34.586 -25.132 1.00 0.00 H new ATOM 0 HG SER A 59 30.972 33.878 -23.521 1.00 0.00 H new ATOM 911 N GLY A 60 27.111 36.035 -25.878 1.00 0.00 N ATOM 912 CA GLY A 60 26.285 36.010 -27.096 1.00 0.00 C ATOM 913 C GLY A 60 26.581 34.822 -28.027 1.00 0.00 C ATOM 914 O GLY A 60 27.350 33.915 -27.694 1.00 0.00 O ATOM 0 H GLY A 60 27.864 36.722 -25.921 1.00 0.00 H new ATOM 0 HA2 GLY A 60 25.234 35.981 -26.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 26.440 36.938 -27.647 1.00 0.00 H new ATOM 918 N GLY A 61 25.974 34.833 -29.219 1.00 0.00 N ATOM 919 CA GLY A 61 26.185 33.806 -30.258 1.00 0.00 C ATOM 920 C GLY A 61 25.494 32.459 -29.989 1.00 0.00 C ATOM 921 O GLY A 61 25.941 31.426 -30.496 1.00 0.00 O ATOM 0 H GLY A 61 25.315 35.560 -29.497 1.00 0.00 H new ATOM 0 HA2 GLY A 61 25.829 34.196 -31.211 1.00 0.00 H new ATOM 0 HA3 GLY A 61 27.256 33.633 -30.365 1.00 0.00 H new ATOM 925 N SER A 62 24.429 32.452 -29.180 1.00 0.00 N ATOM 926 CA SER A 62 23.629 31.259 -28.849 1.00 0.00 C ATOM 927 C SER A 62 22.829 30.706 -30.046 1.00 0.00 C ATOM 928 O SER A 62 22.564 31.411 -31.028 1.00 0.00 O ATOM 929 CB SER A 62 22.706 31.561 -27.657 1.00 0.00 C ATOM 930 OG SER A 62 21.839 32.651 -27.941 1.00 0.00 O ATOM 0 H SER A 62 24.087 33.297 -28.723 1.00 0.00 H new ATOM 0 HA SER A 62 24.331 30.471 -28.575 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.116 30.676 -27.418 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.307 31.791 -26.777 1.00 0.00 H new ATOM 0 HG SER A 62 21.262 32.820 -27.167 1.00 0.00 H new ATOM 936 N LYS A 63 22.443 29.421 -29.964 1.00 0.00 N ATOM 937 CA LYS A 63 21.741 28.657 -31.015 1.00 0.00 C ATOM 938 C LYS A 63 20.501 27.948 -30.452 1.00 0.00 C ATOM 939 O LYS A 63 20.533 27.433 -29.332 1.00 0.00 O ATOM 940 CB LYS A 63 22.765 27.705 -31.674 1.00 0.00 C ATOM 941 CG LYS A 63 22.279 26.947 -32.925 1.00 0.00 C ATOM 942 CD LYS A 63 21.678 25.564 -32.615 1.00 0.00 C ATOM 943 CE LYS A 63 21.355 24.753 -33.881 1.00 0.00 C ATOM 944 NZ LYS A 63 20.269 25.366 -34.703 1.00 0.00 N ATOM 0 H LYS A 63 22.618 28.861 -29.130 1.00 0.00 H new ATOM 0 HA LYS A 63 21.350 29.320 -31.787 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.647 28.285 -31.945 1.00 0.00 H new ATOM 0 HB3 LYS A 63 23.081 26.973 -30.931 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.531 27.552 -33.438 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.116 26.824 -33.613 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.377 25.000 -31.997 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.767 25.692 -32.030 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.256 24.662 -34.488 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.061 23.743 -33.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.954 24.686 -35.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.468 25.616 -34.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.628 26.223 -35.169 1.00 0.00 H new ATOM 958 N LEU A 64 19.415 27.922 -31.234 1.00 0.00 N ATOM 959 CA LEU A 64 18.100 27.375 -30.855 1.00 0.00 C ATOM 960 C LEU A 64 17.685 26.184 -31.738 1.00 0.00 C ATOM 961 O LEU A 64 18.173 26.024 -32.860 1.00 0.00 O ATOM 962 CB LEU A 64 17.047 28.506 -30.911 1.00 0.00 C ATOM 963 CG LEU A 64 17.302 29.701 -29.968 1.00 0.00 C ATOM 964 CD1 LEU A 64 16.230 30.770 -30.186 1.00 0.00 C ATOM 965 CD2 LEU A 64 17.283 29.299 -28.490 1.00 0.00 C ATOM 0 H LEU A 64 19.425 28.294 -32.184 1.00 0.00 H new ATOM 0 HA LEU A 64 18.168 26.989 -29.838 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.994 28.878 -31.934 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.071 28.082 -30.675 1.00 0.00 H new ATOM 0 HG LEU A 64 18.295 30.083 -30.207 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.414 31.612 -29.518 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.263 31.113 -31.220 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.247 30.348 -29.975 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.468 30.177 -27.872 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.309 28.877 -28.240 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.058 28.556 -28.305 1.00 0.00 H new ATOM 977 N GLY A 65 16.752 25.362 -31.251 1.00 0.00 N ATOM 978 CA GLY A 65 16.209 24.172 -31.932 1.00 0.00 C ATOM 979 C GLY A 65 15.184 24.480 -33.033 1.00 0.00 C ATOM 980 O GLY A 65 14.118 23.862 -33.080 1.00 0.00 O ATOM 0 H GLY A 65 16.333 25.509 -30.333 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.035 23.611 -32.369 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.742 23.525 -31.189 1.00 0.00 H new ATOM 984 N GLY A 66 15.471 25.455 -33.900 1.00 0.00 N ATOM 985 CA GLY A 66 14.546 25.935 -34.936 1.00 0.00 C ATOM 986 C GLY A 66 13.322 26.651 -34.344 1.00 0.00 C ATOM 987 O GLY A 66 13.445 27.432 -33.397 1.00 0.00 O ATOM 0 H GLY A 66 16.367 25.942 -33.904 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.074 26.616 -35.603 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.213 25.091 -35.540 1.00 0.00 H new ATOM 991 N SER A 67 12.139 26.379 -34.903 1.00 0.00 N ATOM 992 CA SER A 67 10.845 26.917 -34.449 1.00 0.00 C ATOM 993 C SER A 67 9.743 25.843 -34.522 1.00 0.00 C ATOM 994 O SER A 67 10.028 24.664 -34.762 1.00 0.00 O ATOM 995 CB SER A 67 10.505 28.156 -35.292 1.00 0.00 C ATOM 996 OG SER A 67 9.477 28.920 -34.674 1.00 0.00 O ATOM 0 H SER A 67 12.048 25.760 -35.709 1.00 0.00 H new ATOM 0 HA SER A 67 10.912 27.213 -33.402 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.396 28.771 -35.418 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.187 27.848 -36.288 1.00 0.00 H new ATOM 0 HG SER A 67 9.276 29.705 -35.225 1.00 0.00 H new ATOM 1002 N GLY A 68 8.486 26.225 -34.287 1.00 0.00 N ATOM 1003 CA GLY A 68 7.312 25.378 -34.527 1.00 0.00 C ATOM 1004 C GLY A 68 6.994 25.254 -36.023 1.00 0.00 C ATOM 1005 O GLY A 68 7.039 26.244 -36.759 1.00 0.00 O ATOM 0 H GLY A 68 8.250 27.146 -33.919 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.488 24.387 -34.110 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.450 25.795 -34.006 1.00 0.00 H new ATOM 1009 N GLY A 69 6.674 24.040 -36.485 1.00 0.00 N ATOM 1010 CA GLY A 69 6.331 23.759 -37.889 1.00 0.00 C ATOM 1011 C GLY A 69 7.515 23.759 -38.875 1.00 0.00 C ATOM 1012 O GLY A 69 7.293 23.737 -40.089 1.00 0.00 O ATOM 0 H GLY A 69 6.645 23.213 -35.889 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.841 22.787 -37.937 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.604 24.499 -38.222 1.00 0.00 H new ATOM 1016 N SER A 70 8.760 23.780 -38.380 1.00 0.00 N ATOM 1017 CA SER A 70 10.002 23.709 -39.174 1.00 0.00 C ATOM 1018 C SER A 70 10.948 22.603 -38.675 1.00 0.00 C ATOM 1019 O SER A 70 10.791 22.080 -37.568 1.00 0.00 O ATOM 1020 CB SER A 70 10.693 25.080 -39.220 1.00 0.00 C ATOM 1021 OG SER A 70 11.157 25.497 -37.940 1.00 0.00 O ATOM 0 H SER A 70 8.940 23.849 -37.378 1.00 0.00 H new ATOM 0 HA SER A 70 9.729 23.437 -40.194 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.534 25.037 -39.912 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.997 25.822 -39.610 1.00 0.00 H new ATOM 0 HG SER A 70 11.591 26.372 -38.018 1.00 0.00 H new ATOM 1027 N ARG A 71 11.924 22.204 -39.505 1.00 0.00 N ATOM 1028 CA ARG A 71 12.850 21.086 -39.227 1.00 0.00 C ATOM 1029 C ARG A 71 13.929 21.458 -38.199 1.00 0.00 C ATOM 1030 O ARG A 71 14.491 22.553 -38.250 1.00 0.00 O ATOM 1031 CB ARG A 71 13.448 20.601 -40.563 1.00 0.00 C ATOM 1032 CG ARG A 71 14.310 19.334 -40.426 1.00 0.00 C ATOM 1033 CD ARG A 71 14.772 18.836 -41.801 1.00 0.00 C ATOM 1034 NE ARG A 71 15.607 17.623 -41.681 1.00 0.00 N ATOM 1035 CZ ARG A 71 16.924 17.554 -41.561 1.00 0.00 C ATOM 1036 NH1 ARG A 71 17.682 18.617 -41.528 1.00 0.00 N ATOM 1037 NH2 ARG A 71 17.513 16.396 -41.468 1.00 0.00 N ATOM 0 H ARG A 71 12.098 22.654 -40.404 1.00 0.00 H new ATOM 0 HA ARG A 71 12.296 20.268 -38.766 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.637 20.405 -41.265 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.055 21.399 -40.991 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.178 19.545 -39.801 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.739 18.553 -39.925 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.903 18.622 -42.423 1.00 0.00 H new ATOM 0 HD3 ARG A 71 15.338 19.621 -42.303 1.00 0.00 H new ATOM 0 HE ARG A 71 15.110 16.733 -41.692 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.263 19.544 -41.596 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.693 18.520 -41.434 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.960 15.539 -41.488 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.528 16.346 -41.376 1.00 0.00 H new ATOM 1051 N LYS A 72 14.245 20.516 -37.299 1.00 0.00 N ATOM 1052 CA LYS A 72 15.392 20.554 -36.365 1.00 0.00 C ATOM 1053 C LYS A 72 15.970 19.154 -36.110 1.00 0.00 C ATOM 1054 O LYS A 72 15.309 18.152 -36.372 1.00 0.00 O ATOM 1055 CB LYS A 72 15.036 21.299 -35.056 1.00 0.00 C ATOM 1056 CG LYS A 72 14.162 20.559 -34.020 1.00 0.00 C ATOM 1057 CD LYS A 72 12.698 20.300 -34.413 1.00 0.00 C ATOM 1058 CE LYS A 72 11.897 21.546 -34.831 1.00 0.00 C ATOM 1059 NZ LYS A 72 11.676 22.508 -33.714 1.00 0.00 N ATOM 0 H LYS A 72 13.688 19.668 -37.193 1.00 0.00 H new ATOM 0 HA LYS A 72 16.185 21.128 -36.845 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.969 21.581 -34.567 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.525 22.224 -35.325 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.631 19.599 -33.802 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.169 21.135 -33.095 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.681 19.585 -35.236 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.191 19.829 -33.571 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.424 22.053 -35.639 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.931 21.232 -35.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.020 23.254 -34.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.270 22.006 -32.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.583 22.937 -33.440 1.00 0.00 H new ATOM 1073 N ASP A 73 17.199 19.086 -35.598 1.00 0.00 N ATOM 1074 CA ASP A 73 17.905 17.825 -35.323 1.00 0.00 C ATOM 1075 C ASP A 73 17.387 17.136 -34.042 1.00 0.00 C ATOM 1076 O ASP A 73 17.698 17.557 -32.922 1.00 0.00 O ATOM 1077 CB ASP A 73 19.416 18.101 -35.263 1.00 0.00 C ATOM 1078 CG ASP A 73 20.233 16.828 -34.979 1.00 0.00 C ATOM 1079 OD1 ASP A 73 19.962 15.777 -35.612 1.00 0.00 O ATOM 1080 OD2 ASP A 73 21.162 16.875 -34.137 1.00 0.00 O ATOM 0 H ASP A 73 17.744 19.914 -35.358 1.00 0.00 H new ATOM 0 HA ASP A 73 17.706 17.123 -36.133 1.00 0.00 H new ATOM 0 HB2 ASP A 73 19.741 18.535 -36.208 1.00 0.00 H new ATOM 0 HB3 ASP A 73 19.617 18.840 -34.487 1.00 0.00 H new ATOM 1085 N LEU A 74 16.591 16.074 -34.217 1.00 0.00 N ATOM 1086 CA LEU A 74 16.069 15.193 -33.160 1.00 0.00 C ATOM 1087 C LEU A 74 15.797 13.763 -33.680 1.00 0.00 C ATOM 1088 O LEU A 74 15.904 13.500 -34.882 1.00 0.00 O ATOM 1089 CB LEU A 74 14.830 15.848 -32.498 1.00 0.00 C ATOM 1090 CG LEU A 74 13.630 16.241 -33.391 1.00 0.00 C ATOM 1091 CD1 LEU A 74 12.898 15.052 -34.020 1.00 0.00 C ATOM 1092 CD2 LEU A 74 12.606 16.995 -32.540 1.00 0.00 C ATOM 0 H LEU A 74 16.277 15.790 -35.145 1.00 0.00 H new ATOM 0 HA LEU A 74 16.831 15.075 -32.390 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.463 15.163 -31.734 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.167 16.748 -31.983 1.00 0.00 H new ATOM 0 HG LEU A 74 14.045 16.843 -34.200 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.071 15.415 -34.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 13.590 14.488 -34.646 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.511 14.405 -33.233 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.755 17.277 -33.160 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.266 16.354 -31.727 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.067 17.892 -32.126 1.00 0.00 H new ATOM 1104 N SER A 75 15.419 12.849 -32.779 1.00 0.00 N ATOM 1105 CA SER A 75 14.925 11.501 -33.109 1.00 0.00 C ATOM 1106 C SER A 75 13.485 11.316 -32.610 1.00 0.00 C ATOM 1107 O SER A 75 13.181 11.606 -31.450 1.00 0.00 O ATOM 1108 CB SER A 75 15.860 10.440 -32.522 1.00 0.00 C ATOM 1109 OG SER A 75 15.478 9.150 -32.981 1.00 0.00 O ATOM 0 H SER A 75 15.448 13.027 -31.775 1.00 0.00 H new ATOM 0 HA SER A 75 14.916 11.383 -34.193 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.889 10.649 -32.813 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.824 10.473 -31.433 1.00 0.00 H new ATOM 0 HG SER A 75 16.081 8.476 -32.603 1.00 0.00 H new ATOM 1115 N VAL A 76 12.582 10.864 -33.490 1.00 0.00 N ATOM 1116 CA VAL A 76 11.139 10.738 -33.195 1.00 0.00 C ATOM 1117 C VAL A 76 10.783 9.430 -32.481 1.00 0.00 C ATOM 1118 O VAL A 76 11.422 8.395 -32.680 1.00 0.00 O ATOM 1119 CB VAL A 76 10.246 10.938 -34.439 1.00 0.00 C ATOM 1120 CG1 VAL A 76 10.318 12.389 -34.913 1.00 0.00 C ATOM 1121 CG2 VAL A 76 10.586 9.997 -35.599 1.00 0.00 C ATOM 0 H VAL A 76 12.829 10.572 -34.436 1.00 0.00 H new ATOM 0 HA VAL A 76 10.927 11.555 -32.506 1.00 0.00 H new ATOM 0 HB VAL A 76 9.232 10.692 -34.125 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.684 12.517 -35.791 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.973 13.049 -34.117 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.348 12.637 -35.170 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.918 10.196 -36.437 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.617 10.162 -35.911 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.465 8.963 -35.276 1.00 0.00 H new ATOM 1131 N LYS A 77 9.735 9.500 -31.644 1.00 0.00 N ATOM 1132 CA LYS A 77 9.175 8.401 -30.820 1.00 0.00 C ATOM 1133 C LYS A 77 10.172 7.683 -29.880 1.00 0.00 C ATOM 1134 O LYS A 77 9.857 6.618 -29.342 1.00 0.00 O ATOM 1135 CB LYS A 77 8.377 7.420 -31.712 1.00 0.00 C ATOM 1136 CG LYS A 77 7.248 8.103 -32.500 1.00 0.00 C ATOM 1137 CD LYS A 77 6.433 7.073 -33.299 1.00 0.00 C ATOM 1138 CE LYS A 77 5.308 7.775 -34.074 1.00 0.00 C ATOM 1139 NZ LYS A 77 4.496 6.808 -34.864 1.00 0.00 N ATOM 0 H LYS A 77 9.222 10.372 -31.512 1.00 0.00 H new ATOM 0 HA LYS A 77 8.495 8.881 -30.116 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.059 6.937 -32.411 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.952 6.634 -31.087 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.592 8.637 -31.813 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.670 8.844 -33.179 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.085 6.541 -33.992 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.010 6.329 -32.623 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.662 8.307 -33.376 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.737 8.521 -34.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.747 7.319 -35.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.108 6.318 -35.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.066 6.111 -34.223 1.00 0.00 H new ATOM 1153 N GLY A 78 11.366 8.247 -29.665 1.00 0.00 N ATOM 1154 CA GLY A 78 12.428 7.677 -28.825 1.00 0.00 C ATOM 1155 C GLY A 78 12.325 8.054 -27.339 1.00 0.00 C ATOM 1156 O GLY A 78 11.550 8.927 -26.943 1.00 0.00 O ATOM 0 H GLY A 78 11.629 9.140 -30.083 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.404 6.591 -28.915 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.394 8.007 -29.206 1.00 0.00 H new ATOM 1160 N MET A 79 13.161 7.422 -26.510 1.00 0.00 N ATOM 1161 CA MET A 79 13.220 7.579 -25.046 1.00 0.00 C ATOM 1162 C MET A 79 13.979 8.839 -24.572 1.00 0.00 C ATOM 1163 O MET A 79 14.699 8.808 -23.574 1.00 0.00 O ATOM 1164 CB MET A 79 13.716 6.264 -24.399 1.00 0.00 C ATOM 1165 CG MET A 79 15.174 5.874 -24.705 1.00 0.00 C ATOM 1166 SD MET A 79 15.528 5.340 -26.405 1.00 0.00 S ATOM 1167 CE MET A 79 17.304 4.995 -26.252 1.00 0.00 C ATOM 0 H MET A 79 13.850 6.754 -26.854 1.00 0.00 H new ATOM 0 HA MET A 79 12.206 7.765 -24.693 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.601 6.347 -23.318 1.00 0.00 H new ATOM 0 HB3 MET A 79 13.066 5.452 -24.727 1.00 0.00 H new ATOM 0 HG2 MET A 79 15.811 6.728 -24.476 1.00 0.00 H new ATOM 0 HG3 MET A 79 15.462 5.070 -24.028 1.00 0.00 H new ATOM 0 HE1 MET A 79 17.692 4.653 -27.211 1.00 0.00 H new ATOM 0 HE2 MET A 79 17.827 5.903 -25.952 1.00 0.00 H new ATOM 0 HE3 MET A 79 17.461 4.221 -25.500 1.00 0.00 H new ATOM 1177 N LEU A 80 13.845 9.957 -25.294 1.00 0.00 N ATOM 1178 CA LEU A 80 14.644 11.179 -25.102 1.00 0.00 C ATOM 1179 C LEU A 80 14.163 12.057 -23.928 1.00 0.00 C ATOM 1180 O LEU A 80 14.967 12.785 -23.343 1.00 0.00 O ATOM 1181 CB LEU A 80 14.640 11.997 -26.414 1.00 0.00 C ATOM 1182 CG LEU A 80 15.655 11.553 -27.487 1.00 0.00 C ATOM 1183 CD1 LEU A 80 15.371 10.171 -28.079 1.00 0.00 C ATOM 1184 CD2 LEU A 80 15.645 12.554 -28.645 1.00 0.00 C ATOM 0 H LEU A 80 13.162 10.042 -26.047 1.00 0.00 H new ATOM 0 HA LEU A 80 15.655 10.863 -24.845 1.00 0.00 H new ATOM 0 HB2 LEU A 80 13.640 11.950 -26.846 1.00 0.00 H new ATOM 0 HB3 LEU A 80 14.833 13.041 -26.169 1.00 0.00 H new ATOM 0 HG LEU A 80 16.619 11.509 -26.980 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.129 9.932 -28.825 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.394 9.424 -27.286 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.387 10.171 -28.548 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.362 12.240 -29.403 1.00 0.00 H new ATOM 0 HD22 LEU A 80 14.648 12.594 -29.083 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.918 13.542 -28.274 1.00 0.00 H new ATOM 1196 N TYR A 81 12.871 11.981 -23.576 1.00 0.00 N ATOM 1197 CA TYR A 81 12.211 12.922 -22.646 1.00 0.00 C ATOM 1198 C TYR A 81 11.508 12.268 -21.439 1.00 0.00 C ATOM 1199 O TYR A 81 10.835 12.960 -20.676 1.00 0.00 O ATOM 1200 CB TYR A 81 11.254 13.818 -23.455 1.00 0.00 C ATOM 1201 CG TYR A 81 11.881 14.463 -24.680 1.00 0.00 C ATOM 1202 CD1 TYR A 81 12.849 15.475 -24.525 1.00 0.00 C ATOM 1203 CD2 TYR A 81 11.518 14.032 -25.972 1.00 0.00 C ATOM 1204 CE1 TYR A 81 13.459 16.053 -25.656 1.00 0.00 C ATOM 1205 CE2 TYR A 81 12.125 14.609 -27.105 1.00 0.00 C ATOM 1206 CZ TYR A 81 13.094 15.625 -26.950 1.00 0.00 C ATOM 1207 OH TYR A 81 13.680 16.193 -28.041 1.00 0.00 O ATOM 0 H TYR A 81 12.244 11.258 -23.930 1.00 0.00 H new ATOM 0 HA TYR A 81 12.997 13.519 -22.183 1.00 0.00 H new ATOM 0 HB2 TYR A 81 10.398 13.222 -23.772 1.00 0.00 H new ATOM 0 HB3 TYR A 81 10.872 14.603 -22.802 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.124 15.809 -23.536 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.774 13.259 -26.094 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.206 16.823 -25.532 1.00 0.00 H new ATOM 0 HE2 TYR A 81 11.849 14.274 -28.094 1.00 0.00 H new ATOM 0 HH TYR A 81 13.319 15.785 -28.856 1.00 0.00 H new ATOM 1217 N ASP A 82 11.656 10.957 -21.239 1.00 0.00 N ATOM 1218 CA ASP A 82 11.024 10.206 -20.140 1.00 0.00 C ATOM 1219 C ASP A 82 11.964 10.018 -18.936 1.00 0.00 C ATOM 1220 O ASP A 82 13.159 9.767 -19.114 1.00 0.00 O ATOM 1221 CB ASP A 82 10.534 8.859 -20.686 1.00 0.00 C ATOM 1222 CG ASP A 82 9.783 8.046 -19.619 1.00 0.00 C ATOM 1223 OD1 ASP A 82 8.682 8.476 -19.198 1.00 0.00 O ATOM 1224 OD2 ASP A 82 10.294 6.981 -19.196 1.00 0.00 O ATOM 0 H ASP A 82 12.229 10.371 -21.846 1.00 0.00 H new ATOM 0 HA ASP A 82 10.178 10.782 -19.765 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.878 9.030 -21.540 1.00 0.00 H new ATOM 0 HB3 ASP A 82 11.385 8.283 -21.049 1.00 0.00 H new ATOM 1229 N SER A 83 11.438 10.134 -17.710 1.00 0.00 N ATOM 1230 CA SER A 83 12.128 9.784 -16.451 1.00 0.00 C ATOM 1231 C SER A 83 11.132 9.567 -15.294 1.00 0.00 C ATOM 1232 O SER A 83 9.939 9.848 -15.430 1.00 0.00 O ATOM 1233 CB SER A 83 13.157 10.862 -16.076 1.00 0.00 C ATOM 1234 OG SER A 83 12.558 12.102 -15.726 1.00 0.00 O ATOM 0 H SER A 83 10.492 10.484 -17.557 1.00 0.00 H new ATOM 0 HA SER A 83 12.651 8.843 -16.619 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.759 10.507 -15.240 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.836 11.016 -16.915 1.00 0.00 H new ATOM 0 HG SER A 83 13.257 12.749 -15.495 1.00 0.00 H new ATOM 1240 N ASP A 84 11.612 9.118 -14.127 1.00 0.00 N ATOM 1241 CA ASP A 84 10.835 8.985 -12.873 1.00 0.00 C ATOM 1242 C ASP A 84 10.575 10.346 -12.178 1.00 0.00 C ATOM 1243 O ASP A 84 10.624 10.471 -10.951 1.00 0.00 O ATOM 1244 CB ASP A 84 11.534 7.976 -11.944 1.00 0.00 C ATOM 1245 CG ASP A 84 11.613 6.577 -12.571 1.00 0.00 C ATOM 1246 OD1 ASP A 84 10.589 5.852 -12.570 1.00 0.00 O ATOM 1247 OD2 ASP A 84 12.704 6.190 -13.058 1.00 0.00 O ATOM 0 H ASP A 84 12.583 8.826 -14.019 1.00 0.00 H new ATOM 0 HA ASP A 84 9.845 8.604 -13.124 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.540 8.329 -11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.995 7.920 -10.998 1.00 0.00 H new ATOM 1252 N SER A 85 10.324 11.388 -12.975 1.00 0.00 N ATOM 1253 CA SER A 85 10.273 12.803 -12.586 1.00 0.00 C ATOM 1254 C SER A 85 9.389 13.095 -11.374 1.00 0.00 C ATOM 1255 O SER A 85 9.863 13.676 -10.401 1.00 0.00 O ATOM 1256 CB SER A 85 9.821 13.643 -13.791 1.00 0.00 C ATOM 1257 OG SER A 85 8.582 13.165 -14.302 1.00 0.00 O ATOM 0 H SER A 85 10.140 11.260 -13.970 1.00 0.00 H new ATOM 0 HA SER A 85 11.282 13.075 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.719 14.687 -13.495 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.581 13.606 -14.572 1.00 0.00 H new ATOM 0 HG SER A 85 8.310 13.714 -15.067 1.00 0.00 H new ATOM 1263 N GLN A 86 8.122 12.672 -11.390 1.00 0.00 N ATOM 1264 CA GLN A 86 7.152 13.071 -10.359 1.00 0.00 C ATOM 1265 C GLN A 86 7.431 12.418 -8.998 1.00 0.00 C ATOM 1266 O GLN A 86 7.399 13.107 -7.979 1.00 0.00 O ATOM 1267 CB GLN A 86 5.720 12.781 -10.840 1.00 0.00 C ATOM 1268 CG GLN A 86 5.326 13.650 -12.048 1.00 0.00 C ATOM 1269 CD GLN A 86 3.875 13.409 -12.468 1.00 0.00 C ATOM 1270 OE1 GLN A 86 2.964 14.144 -12.108 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.594 12.369 -13.228 1.00 0.00 N ATOM 0 H GLN A 86 7.741 12.053 -12.105 1.00 0.00 H new ATOM 0 HA GLN A 86 7.261 14.145 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.635 11.728 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.021 12.959 -10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.463 14.702 -11.800 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.989 13.431 -12.885 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.341 11.746 -13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.630 12.187 -13.507 1.00 0.00 H new ATOM 1280 N GLN A 87 7.784 11.127 -8.960 1.00 0.00 N ATOM 1281 CA GLN A 87 8.106 10.436 -7.702 1.00 0.00 C ATOM 1282 C GLN A 87 9.415 10.952 -7.088 1.00 0.00 C ATOM 1283 O GLN A 87 9.471 11.195 -5.876 1.00 0.00 O ATOM 1284 CB GLN A 87 8.136 8.914 -7.949 1.00 0.00 C ATOM 1285 CG GLN A 87 8.483 8.059 -6.714 1.00 0.00 C ATOM 1286 CD GLN A 87 7.501 8.225 -5.549 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.542 7.480 -5.405 1.00 0.00 O ATOM 1288 NE2 GLN A 87 7.688 9.200 -4.680 1.00 0.00 N ATOM 0 H GLN A 87 7.854 10.537 -9.789 1.00 0.00 H new ATOM 0 HA GLN A 87 7.328 10.652 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.161 8.603 -8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.862 8.703 -8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.510 7.009 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.484 8.321 -6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.483 9.831 -4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.038 9.323 -3.904 1.00 0.00 H new ATOM 1297 N ILE A 88 10.445 11.173 -7.913 1.00 0.00 N ATOM 1298 CA ILE A 88 11.719 11.743 -7.450 1.00 0.00 C ATOM 1299 C ILE A 88 11.522 13.194 -7.009 1.00 0.00 C ATOM 1300 O ILE A 88 11.978 13.539 -5.928 1.00 0.00 O ATOM 1301 CB ILE A 88 12.836 11.581 -8.513 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.152 10.095 -8.817 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.121 12.315 -8.084 1.00 0.00 C ATOM 1304 CD1 ILE A 88 13.843 9.310 -7.691 1.00 0.00 C ATOM 0 H ILE A 88 10.422 10.965 -8.911 1.00 0.00 H new ATOM 0 HA ILE A 88 12.056 11.183 -6.577 1.00 0.00 H new ATOM 0 HB ILE A 88 12.457 12.033 -9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.219 9.589 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.784 10.053 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.887 12.184 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.909 13.377 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.477 11.904 -7.139 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.015 8.284 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.797 9.780 -7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.208 9.309 -6.805 1.00 0.00 H new ATOM 1316 N LEU A 89 10.791 14.031 -7.758 1.00 0.00 N ATOM 1317 CA LEU A 89 10.513 15.415 -7.348 1.00 0.00 C ATOM 1318 C LEU A 89 9.734 15.462 -6.035 1.00 0.00 C ATOM 1319 O LEU A 89 10.111 16.227 -5.154 1.00 0.00 O ATOM 1320 CB LEU A 89 9.749 16.142 -8.478 1.00 0.00 C ATOM 1321 CG LEU A 89 9.353 17.604 -8.170 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.579 18.513 -8.040 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.462 18.157 -9.279 1.00 0.00 C ATOM 0 H LEU A 89 10.380 13.772 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 89 11.460 15.926 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.365 16.131 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.845 15.578 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 89 8.819 17.593 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.256 19.531 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.214 18.154 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.141 18.502 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.191 19.187 -9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.000 18.127 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.558 17.553 -9.355 1.00 0.00 H new ATOM 1335 N ASN A 90 8.714 14.615 -5.870 1.00 0.00 N ATOM 1336 CA ASN A 90 7.953 14.531 -4.623 1.00 0.00 C ATOM 1337 C ASN A 90 8.871 14.192 -3.441 1.00 0.00 C ATOM 1338 O ASN A 90 8.960 14.987 -2.503 1.00 0.00 O ATOM 1339 CB ASN A 90 6.809 13.515 -4.806 1.00 0.00 C ATOM 1340 CG ASN A 90 6.012 13.309 -3.527 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.241 12.376 -2.771 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.073 14.182 -3.231 1.00 0.00 N ATOM 0 H ASN A 90 8.395 13.972 -6.594 1.00 0.00 H new ATOM 0 HA ASN A 90 7.511 15.499 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.142 13.860 -5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.222 12.560 -5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.535 14.081 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.883 14.960 -3.862 1.00 0.00 H new ATOM 1349 N ARG A 91 9.632 13.082 -3.497 1.00 0.00 N ATOM 1350 CA ARG A 91 10.498 12.721 -2.355 1.00 0.00 C ATOM 1351 C ARG A 91 11.634 13.724 -2.151 1.00 0.00 C ATOM 1352 O ARG A 91 11.945 14.030 -1.011 1.00 0.00 O ATOM 1353 CB ARG A 91 10.970 11.253 -2.445 1.00 0.00 C ATOM 1354 CG ARG A 91 11.852 10.806 -1.252 1.00 0.00 C ATOM 1355 CD ARG A 91 11.153 10.902 0.116 1.00 0.00 C ATOM 1356 NE ARG A 91 12.106 10.773 1.238 1.00 0.00 N ATOM 1357 CZ ARG A 91 11.825 10.821 2.528 1.00 0.00 C ATOM 1358 NH1 ARG A 91 10.608 10.912 2.980 1.00 0.00 N ATOM 1359 NH2 ARG A 91 12.798 10.785 3.387 1.00 0.00 N ATOM 0 H ARG A 91 9.667 12.440 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 91 9.897 12.786 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.097 10.603 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.530 11.117 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.169 9.776 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.754 11.418 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.633 11.857 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.397 10.121 0.192 1.00 0.00 H new ATOM 0 HE ARG A 91 13.085 10.632 0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.824 10.949 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.439 10.946 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.763 10.721 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.598 10.821 4.386 1.00 0.00 H new ATOM 1373 N LEU A 92 12.211 14.284 -3.214 1.00 0.00 N ATOM 1374 CA LEU A 92 13.297 15.274 -3.125 1.00 0.00 C ATOM 1375 C LEU A 92 12.816 16.585 -2.492 1.00 0.00 C ATOM 1376 O LEU A 92 13.426 17.073 -1.543 1.00 0.00 O ATOM 1377 CB LEU A 92 13.858 15.453 -4.553 1.00 0.00 C ATOM 1378 CG LEU A 92 15.060 16.378 -4.784 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.729 17.864 -4.693 1.00 0.00 C ATOM 1380 CD2 LEU A 92 16.232 16.072 -3.857 1.00 0.00 C ATOM 0 H LEU A 92 11.939 14.065 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 92 14.092 14.929 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.131 14.465 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.043 15.814 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 92 15.352 16.163 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.632 18.449 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.981 18.117 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.337 18.089 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.052 16.759 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.917 16.191 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.566 15.047 -4.019 1.00 0.00 H new ATOM 1392 N ARG A 93 11.691 17.133 -2.967 1.00 0.00 N ATOM 1393 CA ARG A 93 11.122 18.386 -2.436 1.00 0.00 C ATOM 1394 C ARG A 93 10.664 18.220 -0.985 1.00 0.00 C ATOM 1395 O ARG A 93 10.912 19.102 -0.172 1.00 0.00 O ATOM 1396 CB ARG A 93 9.988 18.876 -3.359 1.00 0.00 C ATOM 1397 CG ARG A 93 9.679 20.364 -3.143 1.00 0.00 C ATOM 1398 CD ARG A 93 8.543 20.848 -4.055 1.00 0.00 C ATOM 1399 NE ARG A 93 8.550 22.326 -4.166 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.099 23.057 -5.123 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.662 22.534 -6.169 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.115 24.354 -5.056 1.00 0.00 N ATOM 0 H ARG A 93 11.148 16.725 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 93 11.898 19.151 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.269 18.711 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.089 18.288 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.405 20.531 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.576 20.953 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.651 20.404 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.585 20.513 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 93 8.078 22.838 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.694 21.520 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.073 23.137 -6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.699 24.828 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.543 24.898 -5.805 1.00 0.00 H new ATOM 1416 N GLU A 94 10.110 17.061 -0.629 1.00 0.00 N ATOM 1417 CA GLU A 94 9.790 16.746 0.773 1.00 0.00 C ATOM 1418 C GLU A 94 11.057 16.608 1.641 1.00 0.00 C ATOM 1419 O GLU A 94 11.125 17.204 2.719 1.00 0.00 O ATOM 1420 CB GLU A 94 8.933 15.475 0.844 1.00 0.00 C ATOM 1421 CG GLU A 94 7.528 15.676 0.264 1.00 0.00 C ATOM 1422 CD GLU A 94 6.648 16.534 1.196 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.066 15.984 2.163 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.525 17.761 0.966 1.00 0.00 O ATOM 0 H GLU A 94 9.871 16.321 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 94 9.220 17.581 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.434 14.673 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.851 15.155 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.602 16.156 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.056 14.706 0.107 1.00 0.00 H new ATOM 1431 N ARG A 95 12.088 15.896 1.159 1.00 0.00 N ATOM 1432 CA ARG A 95 13.363 15.692 1.874 1.00 0.00 C ATOM 1433 C ARG A 95 14.086 17.013 2.181 1.00 0.00 C ATOM 1434 O ARG A 95 14.598 17.183 3.287 1.00 0.00 O ATOM 1435 CB ARG A 95 14.246 14.755 1.025 1.00 0.00 C ATOM 1436 CG ARG A 95 15.514 14.248 1.730 1.00 0.00 C ATOM 1437 CD ARG A 95 16.377 13.448 0.738 1.00 0.00 C ATOM 1438 NE ARG A 95 16.955 12.247 1.367 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.220 11.898 1.503 1.00 0.00 C ATOM 1440 NH1 ARG A 95 19.229 12.649 1.171 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.530 10.736 1.975 1.00 0.00 N ATOM 0 H ARG A 95 12.061 15.438 0.248 1.00 0.00 H new ATOM 0 HA ARG A 95 13.155 15.239 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.649 13.896 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.538 15.280 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.083 15.090 2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.243 13.620 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.770 13.154 -0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.178 14.082 0.359 1.00 0.00 H new ATOM 0 HE ARG A 95 16.278 11.589 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 95 19.067 13.575 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 95 20.182 12.311 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.795 10.082 2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.510 10.472 2.078 1.00 0.00 H new ATOM 1455 N VAL A 96 14.111 17.940 1.216 1.00 0.00 N ATOM 1456 CA VAL A 96 14.844 19.218 1.339 1.00 0.00 C ATOM 1457 C VAL A 96 13.993 20.346 1.941 1.00 0.00 C ATOM 1458 O VAL A 96 14.511 21.127 2.743 1.00 0.00 O ATOM 1459 CB VAL A 96 15.452 19.642 -0.016 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.304 20.911 0.115 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.364 18.537 -0.572 1.00 0.00 C ATOM 0 H VAL A 96 13.626 17.831 0.326 1.00 0.00 H new ATOM 0 HA VAL A 96 15.657 19.039 2.043 1.00 0.00 H new ATOM 0 HB VAL A 96 14.611 19.827 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.714 21.176 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.684 21.729 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.120 20.731 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.782 18.856 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.173 18.345 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.784 17.625 -0.716 1.00 0.00 H new ATOM 1471 N SER A 97 12.698 20.414 1.608 1.00 0.00 N ATOM 1472 CA SER A 97 11.824 21.562 1.916 1.00 0.00 C ATOM 1473 C SER A 97 10.482 21.214 2.581 1.00 0.00 C ATOM 1474 O SER A 97 9.681 22.115 2.827 1.00 0.00 O ATOM 1475 CB SER A 97 11.560 22.386 0.642 1.00 0.00 C ATOM 1476 OG SER A 97 12.780 22.731 -0.009 1.00 0.00 O ATOM 0 H SER A 97 12.217 19.665 1.110 1.00 0.00 H new ATOM 0 HA SER A 97 12.379 22.138 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.929 21.815 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.012 23.293 0.899 1.00 0.00 H new ATOM 0 HG SER A 97 12.584 23.252 -0.816 1.00 0.00 H new ATOM 1482 N GLY A 98 10.200 19.950 2.921 1.00 0.00 N ATOM 1483 CA GLY A 98 8.904 19.545 3.496 1.00 0.00 C ATOM 1484 C GLY A 98 8.564 20.197 4.848 1.00 0.00 C ATOM 1485 O GLY A 98 7.387 20.319 5.198 1.00 0.00 O ATOM 0 H GLY A 98 10.859 19.179 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.115 19.787 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.900 18.462 3.620 1.00 0.00 H new ATOM 1489 N SER A 99 9.576 20.673 5.582 1.00 0.00 N ATOM 1490 CA SER A 99 9.445 21.418 6.846 1.00 0.00 C ATOM 1491 C SER A 99 9.181 22.925 6.671 1.00 0.00 C ATOM 1492 O SER A 99 8.771 23.580 7.632 1.00 0.00 O ATOM 1493 CB SER A 99 10.703 21.198 7.692 1.00 0.00 C ATOM 1494 OG SER A 99 11.865 21.583 6.969 1.00 0.00 O ATOM 0 H SER A 99 10.549 20.546 5.303 1.00 0.00 H new ATOM 0 HA SER A 99 8.561 21.024 7.348 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.634 21.775 8.614 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.777 20.149 7.978 1.00 0.00 H new ATOM 0 HG SER A 99 12.659 21.438 7.525 1.00 0.00 H new ATOM 1500 N THR A 100 9.384 23.488 5.469 1.00 0.00 N ATOM 1501 CA THR A 100 9.285 24.940 5.187 1.00 0.00 C ATOM 1502 C THR A 100 8.264 25.294 4.100 1.00 0.00 C ATOM 1503 O THR A 100 7.698 26.388 4.134 1.00 0.00 O ATOM 1504 CB THR A 100 10.656 25.525 4.801 1.00 0.00 C ATOM 1505 OG1 THR A 100 11.192 24.841 3.685 1.00 0.00 O ATOM 1506 CG2 THR A 100 11.670 25.427 5.943 1.00 0.00 C ATOM 0 H THR A 100 9.627 22.939 4.644 1.00 0.00 H new ATOM 0 HA THR A 100 8.933 25.386 6.117 1.00 0.00 H new ATOM 0 HB THR A 100 10.485 26.575 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.062 25.226 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 100 12.621 25.852 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.299 25.978 6.807 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.813 24.381 6.214 1.00 0.00 H new ATOM 1514 N ALA A 101 7.956 24.378 3.174 1.00 0.00 N ATOM 1515 CA ALA A 101 6.993 24.582 2.083 1.00 0.00 C ATOM 1516 C ALA A 101 5.532 24.772 2.561 1.00 0.00 C ATOM 1517 O ALA A 101 4.699 25.286 1.811 1.00 0.00 O ATOM 1518 CB ALA A 101 7.120 23.393 1.120 1.00 0.00 C ATOM 0 H ALA A 101 8.380 23.450 3.162 1.00 0.00 H new ATOM 0 HA ALA A 101 7.236 25.518 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.416 23.515 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.135 23.351 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.899 22.468 1.653 1.00 0.00 H new ATOM 1524 N GLN A 102 5.219 24.392 3.808 1.00 0.00 N ATOM 1525 CA GLN A 102 3.912 24.619 4.439 1.00 0.00 C ATOM 1526 C GLN A 102 3.660 26.105 4.791 1.00 0.00 C ATOM 1527 O GLN A 102 2.505 26.532 4.877 1.00 0.00 O ATOM 1528 CB GLN A 102 3.825 23.706 5.682 1.00 0.00 C ATOM 1529 CG GLN A 102 2.424 23.654 6.312 1.00 0.00 C ATOM 1530 CD GLN A 102 2.342 22.622 7.438 1.00 0.00 C ATOM 1531 OE1 GLN A 102 1.867 21.506 7.269 1.00 0.00 O ATOM 1532 NE2 GLN A 102 2.802 22.943 8.632 1.00 0.00 N ATOM 0 H GLN A 102 5.880 23.909 4.417 1.00 0.00 H new ATOM 0 HA GLN A 102 3.123 24.367 3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.126 22.696 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.537 24.055 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.165 24.638 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.689 23.412 5.544 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.201 23.868 8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.758 22.267 9.394 1.00 0.00 H new ATOM 1541 N SER A 103 4.717 26.905 4.981 1.00 0.00 N ATOM 1542 CA SER A 103 4.630 28.325 5.362 1.00 0.00 C ATOM 1543 C SER A 103 4.210 29.236 4.194 1.00 0.00 C ATOM 1544 O SER A 103 4.524 28.963 3.030 1.00 0.00 O ATOM 1545 CB SER A 103 5.964 28.813 5.942 1.00 0.00 C ATOM 1546 OG SER A 103 6.323 28.045 7.085 1.00 0.00 O ATOM 0 H SER A 103 5.677 26.579 4.873 1.00 0.00 H new ATOM 0 HA SER A 103 3.851 28.390 6.122 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.745 28.737 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.885 29.866 6.214 1.00 0.00 H new ATOM 0 HG SER A 103 7.177 28.368 7.441 1.00 0.00 H new ATOM 1552 N ALA A 104 3.526 30.342 4.514 1.00 0.00 N ATOM 1553 CA ALA A 104 3.051 31.371 3.575 1.00 0.00 C ATOM 1554 C ALA A 104 3.162 32.797 4.159 1.00 0.00 C ATOM 1555 O ALA A 104 2.806 33.000 5.343 1.00 0.00 O ATOM 1556 CB ALA A 104 1.610 31.034 3.158 1.00 0.00 C ATOM 1557 OXT ALA A 104 3.614 33.711 3.428 1.00 0.00 O ATOM 0 H ALA A 104 3.276 30.555 5.480 1.00 0.00 H new ATOM 0 HA ALA A 104 3.693 31.365 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.247 31.790 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 104 1.590 30.057 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.971 31.016 4.041 1.00 0.00 H new TER 1563 ALA A 104