USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 47 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.0526 K(o=-0.053,f=-0.6) USER MOD Single : A 5 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-5.7!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 30:sc= -4.75! USER MOD Single : A 12 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -20:sc= -3.6! USER MOD Single : A 17 ASN : amide:sc= -0.016 K(o=-0.016,f=-3.8!) USER MOD Single : A 19 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.8!) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.0147 (180deg=-0.241) USER MOD Single : A 23 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.31) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= -10! (180deg=-10.1!) USER MOD Single : A 32 THR OG1 : rot 89:sc= 0.625 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 170:sc= -7.42! USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= -3.04! (180deg=-3.39!) USER MOD Single : A 57 CYS SG : rot 160:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0.462 (180deg=-0.0791) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -3.21! C(o=-3.2!,f=-2.6!) USER MOD Single : A 87 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=0) USER MOD Single : A 88 THR OG1 : rot 76:sc=0.000975 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 93 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-2) USER MOD Single : A 94 ASN : amide:sc= -2.49! C(o=-2.5!,f=-4.8!) USER MOD Single : A 96 SER OG : rot -72:sc= 0.0181 USER MOD Single : A 98 ASN : amide:sc= -2.87! C(o=-2.9!,f=-7.5!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -0.338 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 93.385 0.205 -13.679 1.00 0.00 N ATOM 31 CA LEU A 3 93.119 -0.193 -12.270 1.00 0.00 C ATOM 32 C LEU A 3 91.840 -1.043 -12.226 1.00 0.00 C ATOM 33 O LEU A 3 90.879 -0.757 -12.912 1.00 0.00 O ATOM 34 CB LEU A 3 92.941 1.071 -11.421 1.00 0.00 C ATOM 35 CG LEU A 3 94.285 1.791 -11.286 1.00 0.00 C ATOM 36 CD1 LEU A 3 95.305 0.876 -10.597 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.797 2.158 -12.679 1.00 0.00 C ATOM 0 HA LEU A 3 93.952 -0.776 -11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 3 92.208 1.732 -11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.557 0.808 -10.435 1.00 0.00 H new ATOM 0 HG LEU A 3 94.152 2.692 -10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 3 96.258 1.397 -10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 3 94.941 0.608 -9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 3 95.442 -0.028 -11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.754 2.671 -12.591 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.924 1.251 -13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.078 2.813 -13.170 1.00 0.00 H new ATOM 49 N PRO A 4 91.831 -2.079 -11.431 1.00 0.00 N ATOM 50 CA PRO A 4 90.655 -2.994 -11.302 1.00 0.00 C ATOM 51 C PRO A 4 89.492 -2.309 -10.585 1.00 0.00 C ATOM 52 O PRO A 4 88.424 -2.866 -10.405 1.00 0.00 O ATOM 53 CB PRO A 4 91.192 -4.174 -10.486 1.00 0.00 C ATOM 54 CG PRO A 4 92.370 -3.644 -9.737 1.00 0.00 C ATOM 55 CD PRO A 4 92.939 -2.485 -10.556 1.00 0.00 C ATOM 0 HA PRO A 4 90.258 -3.300 -12.270 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.433 -4.555 -9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 4 91.480 -5.000 -11.136 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.075 -3.305 -8.744 1.00 0.00 H new ATOM 0 HG3 PRO A 4 93.120 -4.422 -9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.260 -1.665 -9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.809 -2.796 -11.134 1.00 0.00 H new ATOM 63 N HIS A 5 89.707 -1.098 -10.179 1.00 0.00 N ATOM 64 CA HIS A 5 88.648 -0.338 -9.472 1.00 0.00 C ATOM 65 C HIS A 5 87.477 -0.076 -10.422 1.00 0.00 C ATOM 66 O HIS A 5 86.368 0.162 -9.997 1.00 0.00 O ATOM 67 CB HIS A 5 89.242 0.984 -9.000 1.00 0.00 C ATOM 68 CG HIS A 5 90.217 0.712 -7.890 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.736 1.723 -7.101 1.00 0.00 N ATOM 70 CD2 HIS A 5 90.786 -0.451 -7.432 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.578 1.158 -6.218 1.00 0.00 C ATOM 72 NE2 HIS A 5 91.645 -0.166 -6.377 1.00 0.00 N ATOM 0 H HIS A 5 90.584 -0.593 -10.308 1.00 0.00 H new ATOM 0 HA HIS A 5 88.281 -0.908 -8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.743 1.488 -9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.452 1.649 -8.653 1.00 0.00 H new ATOM 0 HD2 HIS A 5 90.595 -1.436 -7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 5 92.132 1.708 -5.472 1.00 0.00 H new ATOM 0 HE2 HIS A 5 92.206 -0.827 -5.840 1.00 0.00 H new ATOM 80 N HIS A 6 87.711 -0.129 -11.707 1.00 0.00 N ATOM 81 CA HIS A 6 86.604 0.113 -12.679 1.00 0.00 C ATOM 82 C HIS A 6 85.487 -0.909 -12.444 1.00 0.00 C ATOM 83 O HIS A 6 84.348 -0.696 -12.807 1.00 0.00 O ATOM 84 CB HIS A 6 87.124 -0.035 -14.112 1.00 0.00 C ATOM 85 CG HIS A 6 88.005 1.131 -14.465 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.527 2.432 -14.521 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.335 1.205 -14.788 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.559 3.227 -14.866 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.683 2.528 -15.041 1.00 0.00 N ATOM 0 H HIS A 6 88.620 -0.329 -12.125 1.00 0.00 H new ATOM 0 HA HIS A 6 86.220 1.123 -12.536 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.683 -0.966 -14.210 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.286 -0.091 -14.807 1.00 0.00 H new ATOM 0 HD2 HIS A 6 90.010 0.364 -14.838 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.486 4.298 -14.986 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.601 2.887 -15.304 1.00 0.00 H new ATOM 97 N ASP A 7 85.813 -2.030 -11.861 1.00 0.00 N ATOM 98 CA ASP A 7 84.787 -3.080 -11.614 1.00 0.00 C ATOM 99 C ASP A 7 84.421 -3.113 -10.124 1.00 0.00 C ATOM 100 O ASP A 7 85.278 -3.095 -9.263 1.00 0.00 O ATOM 101 CB ASP A 7 85.357 -4.436 -12.029 1.00 0.00 C ATOM 102 CG ASP A 7 85.639 -4.434 -13.534 1.00 0.00 C ATOM 103 OD1 ASP A 7 84.778 -4.002 -14.280 1.00 0.00 O ATOM 104 OD2 ASP A 7 86.716 -4.866 -13.913 1.00 0.00 O ATOM 0 H ASP A 7 86.753 -2.264 -11.543 1.00 0.00 H new ATOM 0 HA ASP A 7 83.891 -2.859 -12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.274 -4.641 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.652 -5.230 -11.782 1.00 0.00 H new ATOM 109 N GLU A 8 83.153 -3.173 -9.815 1.00 0.00 N ATOM 110 CA GLU A 8 82.721 -3.211 -8.386 1.00 0.00 C ATOM 111 C GLU A 8 83.067 -4.566 -7.761 1.00 0.00 C ATOM 112 O GLU A 8 83.318 -4.669 -6.577 1.00 0.00 O ATOM 113 CB GLU A 8 81.211 -2.955 -8.308 1.00 0.00 C ATOM 114 CG GLU A 8 80.940 -1.476 -8.589 1.00 0.00 C ATOM 115 CD GLU A 8 79.443 -1.254 -8.814 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.739 -2.233 -9.001 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.026 -0.107 -8.801 1.00 0.00 O ATOM 0 H GLU A 8 82.393 -3.197 -10.495 1.00 0.00 H new ATOM 0 HA GLU A 8 83.247 -2.436 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.686 -3.578 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.834 -3.226 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.285 -0.869 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.500 -1.155 -9.467 1.00 0.00 H new ATOM 124 N LYS A 9 83.081 -5.605 -8.542 1.00 0.00 N ATOM 125 CA LYS A 9 83.408 -6.955 -7.995 1.00 0.00 C ATOM 126 C LYS A 9 84.813 -6.955 -7.392 1.00 0.00 C ATOM 127 O LYS A 9 85.097 -7.677 -6.457 1.00 0.00 O ATOM 128 CB LYS A 9 83.342 -7.993 -9.122 1.00 0.00 C ATOM 129 CG LYS A 9 81.884 -8.269 -9.485 1.00 0.00 C ATOM 130 CD LYS A 9 81.612 -7.804 -10.919 1.00 0.00 C ATOM 131 CE LYS A 9 81.706 -6.278 -10.980 1.00 0.00 C ATOM 132 NZ LYS A 9 81.051 -5.781 -12.222 1.00 0.00 N ATOM 0 H LYS A 9 82.880 -5.581 -9.542 1.00 0.00 H new ATOM 0 HA LYS A 9 82.686 -7.205 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 9 83.882 -7.629 -9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 9 83.829 -8.916 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 9 81.671 -9.334 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 9 81.222 -7.749 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 9 82.333 -8.252 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 9 80.623 -8.132 -11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 9 81.226 -5.840 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 9 82.751 -5.968 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 81.118 -4.744 -12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 81.527 -6.188 -13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 80.050 -6.064 -12.224 1.00 0.00 H new ATOM 146 N THR A 10 85.693 -6.168 -7.928 1.00 0.00 N ATOM 147 CA THR A 10 87.081 -6.134 -7.400 1.00 0.00 C ATOM 148 C THR A 10 87.115 -5.537 -5.975 1.00 0.00 C ATOM 149 O THR A 10 87.937 -5.912 -5.163 1.00 0.00 O ATOM 150 CB THR A 10 87.949 -5.320 -8.372 1.00 0.00 C ATOM 151 OG1 THR A 10 87.308 -4.090 -8.665 1.00 0.00 O ATOM 152 CG2 THR A 10 88.143 -6.100 -9.676 1.00 0.00 C ATOM 0 H THR A 10 85.512 -5.543 -8.713 1.00 0.00 H new ATOM 0 HA THR A 10 87.475 -7.147 -7.325 1.00 0.00 H new ATOM 0 HB THR A 10 88.918 -5.134 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.768 -3.812 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.759 -5.517 -10.360 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.636 -7.049 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 10 87.172 -6.290 -10.134 1.00 0.00 H new ATOM 160 N TRP A 11 86.240 -4.614 -5.659 1.00 0.00 N ATOM 161 CA TRP A 11 86.250 -4.009 -4.283 1.00 0.00 C ATOM 162 C TRP A 11 84.839 -3.988 -3.675 1.00 0.00 C ATOM 163 O TRP A 11 84.656 -3.567 -2.554 1.00 0.00 O ATOM 164 CB TRP A 11 86.760 -2.570 -4.378 1.00 0.00 C ATOM 165 CG TRP A 11 86.372 -2.023 -5.708 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.979 -2.340 -6.864 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.306 -1.088 -6.039 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.346 -1.681 -7.901 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.307 -0.883 -7.440 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.350 -0.409 -5.269 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.377 -0.029 -8.052 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.420 0.450 -5.879 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.435 0.639 -7.267 1.00 0.00 C ATOM 0 H TRP A 11 85.522 -4.253 -6.287 1.00 0.00 H new ATOM 0 HA TRP A 11 86.897 -4.613 -3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.335 -1.963 -3.579 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.843 -2.542 -4.257 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.825 -3.003 -6.966 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.609 -1.770 -8.882 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.329 -0.548 -4.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.390 0.111 -9.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.690 0.967 -5.274 1.00 0.00 H new ATOM 0 HH2 TRP A 11 82.718 1.301 -7.730 1.00 0.00 H new ATOM 184 N ASN A 12 83.836 -4.398 -4.399 1.00 0.00 N ATOM 185 CA ASN A 12 82.454 -4.348 -3.827 1.00 0.00 C ATOM 186 C ASN A 12 82.045 -5.696 -3.228 1.00 0.00 C ATOM 187 O ASN A 12 81.934 -6.692 -3.915 1.00 0.00 O ATOM 188 CB ASN A 12 81.470 -3.954 -4.928 1.00 0.00 C ATOM 189 CG ASN A 12 80.110 -3.613 -4.310 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.022 -3.306 -3.135 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.041 -3.646 -5.060 1.00 0.00 N ATOM 0 H ASN A 12 83.906 -4.761 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 12 82.440 -3.609 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.853 -3.097 -5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.361 -4.771 -5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.131 -3.414 -4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.116 -3.903 -6.044 1.00 0.00 H new ATOM 198 N VAL A 13 81.795 -5.714 -1.946 1.00 0.00 N ATOM 199 CA VAL A 13 81.361 -6.971 -1.273 1.00 0.00 C ATOM 200 C VAL A 13 80.182 -6.645 -0.350 1.00 0.00 C ATOM 201 O VAL A 13 80.022 -7.226 0.705 1.00 0.00 O ATOM 202 CB VAL A 13 82.502 -7.548 -0.434 1.00 0.00 C ATOM 203 CG1 VAL A 13 82.139 -8.966 0.005 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.788 -7.591 -1.261 1.00 0.00 C ATOM 0 H VAL A 13 81.874 -4.904 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 13 81.072 -7.703 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 13 82.658 -6.917 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.950 -9.381 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 13 81.226 -8.940 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.981 -9.590 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.596 -8.003 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.635 -8.219 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 13 84.051 -6.582 -1.578 1.00 0.00 H new ATOM 214 N GLY A 14 79.363 -5.704 -0.731 1.00 0.00 N ATOM 215 CA GLY A 14 78.204 -5.330 0.133 1.00 0.00 C ATOM 216 C GLY A 14 77.417 -6.584 0.504 1.00 0.00 C ATOM 217 O GLY A 14 76.813 -6.661 1.554 1.00 0.00 O ATOM 0 H GLY A 14 79.444 -5.178 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.556 -4.829 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.559 -4.625 -0.392 1.00 0.00 H new ATOM 221 N SER A 15 77.413 -7.567 -0.345 1.00 0.00 N ATOM 222 CA SER A 15 76.661 -8.810 -0.026 1.00 0.00 C ATOM 223 C SER A 15 77.223 -9.430 1.257 1.00 0.00 C ATOM 224 O SER A 15 76.495 -9.952 2.080 1.00 0.00 O ATOM 225 CB SER A 15 76.801 -9.793 -1.191 1.00 0.00 C ATOM 226 OG SER A 15 76.275 -9.195 -2.369 1.00 0.00 O ATOM 0 H SER A 15 77.895 -7.566 -1.244 1.00 0.00 H new ATOM 0 HA SER A 15 75.607 -8.579 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 15 77.849 -10.055 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 15 76.269 -10.718 -0.969 1.00 0.00 H new ATOM 0 HG SER A 15 76.363 -9.819 -3.120 1.00 0.00 H new ATOM 232 N SER A 16 78.517 -9.382 1.429 1.00 0.00 N ATOM 233 CA SER A 16 79.140 -9.975 2.651 1.00 0.00 C ATOM 234 C SER A 16 78.736 -9.187 3.904 1.00 0.00 C ATOM 235 O SER A 16 78.648 -7.976 3.892 1.00 0.00 O ATOM 236 CB SER A 16 80.659 -9.930 2.515 1.00 0.00 C ATOM 237 OG SER A 16 81.067 -10.768 1.440 1.00 0.00 O ATOM 0 H SER A 16 79.173 -8.956 0.774 1.00 0.00 H new ATOM 0 HA SER A 16 78.795 -11.004 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 16 80.988 -8.906 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 16 81.127 -10.258 3.443 1.00 0.00 H new ATOM 0 HG SER A 16 80.358 -11.415 1.242 1.00 0.00 H new ATOM 243 N ASN A 17 78.515 -9.878 4.989 1.00 0.00 N ATOM 244 CA ASN A 17 78.139 -9.195 6.261 1.00 0.00 C ATOM 245 C ASN A 17 79.413 -8.710 6.970 1.00 0.00 C ATOM 246 O ASN A 17 80.508 -9.107 6.622 1.00 0.00 O ATOM 247 CB ASN A 17 77.393 -10.185 7.158 1.00 0.00 C ATOM 248 CG ASN A 17 76.890 -9.473 8.412 1.00 0.00 C ATOM 249 OD1 ASN A 17 76.586 -8.297 8.380 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.787 -10.146 9.525 1.00 0.00 N ATOM 0 H ASN A 17 78.579 -10.894 5.050 1.00 0.00 H new ATOM 0 HA ASN A 17 77.496 -8.340 6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 17 76.554 -10.620 6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.053 -11.006 7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 17 76.451 -9.685 10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.043 -11.133 9.550 1.00 0.00 H new ATOM 257 N ARG A 18 79.285 -7.854 7.952 1.00 0.00 N ATOM 258 CA ARG A 18 80.498 -7.350 8.667 1.00 0.00 C ATOM 259 C ARG A 18 81.253 -8.531 9.284 1.00 0.00 C ATOM 260 O ARG A 18 82.466 -8.587 9.248 1.00 0.00 O ATOM 261 CB ARG A 18 80.075 -6.375 9.775 1.00 0.00 C ATOM 262 CG ARG A 18 81.317 -5.810 10.479 1.00 0.00 C ATOM 263 CD ARG A 18 80.881 -4.844 11.587 1.00 0.00 C ATOM 264 NE ARG A 18 79.910 -5.527 12.485 1.00 0.00 N ATOM 265 CZ ARG A 18 79.624 -5.023 13.658 1.00 0.00 C ATOM 266 NH1 ARG A 18 80.176 -3.906 14.046 1.00 0.00 N ATOM 267 NH2 ARG A 18 78.780 -5.639 14.439 1.00 0.00 N ATOM 0 H ARG A 18 78.397 -7.483 8.289 1.00 0.00 H new ATOM 0 HA ARG A 18 81.147 -6.833 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.486 -5.562 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 18 79.438 -6.886 10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 18 81.909 -6.622 10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 18 81.952 -5.293 9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 18 81.749 -4.512 12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 18 80.426 -3.954 11.151 1.00 0.00 H new ATOM 0 HE ARG A 18 79.465 -6.394 12.184 1.00 0.00 H new ATOM 0 HH11 ARG A 18 80.833 -3.422 13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 18 79.950 -3.517 14.961 1.00 0.00 H new ATOM 0 HH21 ARG A 18 78.346 -6.510 14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 18 78.554 -5.249 15.354 1.00 0.00 H new ATOM 281 N ASN A 19 80.552 -9.479 9.842 1.00 0.00 N ATOM 282 CA ASN A 19 81.255 -10.648 10.444 1.00 0.00 C ATOM 283 C ASN A 19 82.067 -11.342 9.350 1.00 0.00 C ATOM 284 O ASN A 19 83.222 -11.669 9.533 1.00 0.00 O ATOM 285 CB ASN A 19 80.226 -11.632 11.007 1.00 0.00 C ATOM 286 CG ASN A 19 80.943 -12.758 11.757 1.00 0.00 C ATOM 287 OD1 ASN A 19 82.109 -12.646 12.080 1.00 0.00 O ATOM 288 ND2 ASN A 19 80.286 -13.849 12.048 1.00 0.00 N ATOM 0 H ASN A 19 79.534 -9.496 9.907 1.00 0.00 H new ATOM 0 HA ASN A 19 81.910 -10.314 11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.542 -11.113 11.679 1.00 0.00 H new ATOM 0 HB3 ASN A 19 79.625 -12.047 10.198 1.00 0.00 H new ATOM 0 HD21 ASN A 19 80.752 -14.607 12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 19 79.307 -13.943 11.777 1.00 0.00 H new ATOM 295 N LYS A 20 81.474 -11.549 8.206 1.00 0.00 N ATOM 296 CA LYS A 20 82.208 -12.205 7.087 1.00 0.00 C ATOM 297 C LYS A 20 83.307 -11.258 6.600 1.00 0.00 C ATOM 298 O LYS A 20 84.374 -11.678 6.199 1.00 0.00 O ATOM 299 CB LYS A 20 81.226 -12.505 5.951 1.00 0.00 C ATOM 300 CG LYS A 20 81.930 -13.287 4.840 1.00 0.00 C ATOM 301 CD LYS A 20 80.933 -13.561 3.712 1.00 0.00 C ATOM 302 CE LYS A 20 81.424 -14.730 2.853 1.00 0.00 C ATOM 303 NZ LYS A 20 81.242 -16.015 3.591 1.00 0.00 N ATOM 0 H LYS A 20 80.509 -11.291 7.998 1.00 0.00 H new ATOM 0 HA LYS A 20 82.658 -13.140 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.382 -13.080 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.824 -11.574 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.780 -12.719 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.322 -14.226 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 20 79.953 -13.792 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.815 -12.670 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.872 -14.759 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.475 -14.591 2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.248 -16.807 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 82.017 -16.136 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 80.334 -15.999 4.098 1.00 0.00 H new ATOM 317 N ALA A 21 83.052 -9.975 6.653 1.00 0.00 N ATOM 318 CA ALA A 21 84.073 -8.981 6.214 1.00 0.00 C ATOM 319 C ALA A 21 85.328 -9.162 7.065 1.00 0.00 C ATOM 320 O ALA A 21 86.434 -9.157 6.565 1.00 0.00 O ATOM 321 CB ALA A 21 83.524 -7.570 6.424 1.00 0.00 C ATOM 0 H ALA A 21 82.175 -9.573 6.984 1.00 0.00 H new ATOM 0 HA ALA A 21 84.310 -9.128 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.267 -6.839 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.614 -7.443 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.299 -7.421 7.480 1.00 0.00 H new ATOM 327 N GLU A 22 85.165 -9.331 8.352 1.00 0.00 N ATOM 328 CA GLU A 22 86.355 -9.522 9.227 1.00 0.00 C ATOM 329 C GLU A 22 87.154 -10.699 8.685 1.00 0.00 C ATOM 330 O GLU A 22 88.354 -10.626 8.509 1.00 0.00 O ATOM 331 CB GLU A 22 85.911 -9.859 10.653 1.00 0.00 C ATOM 332 CG GLU A 22 85.262 -8.639 11.305 1.00 0.00 C ATOM 333 CD GLU A 22 84.713 -9.032 12.677 1.00 0.00 C ATOM 334 OE1 GLU A 22 84.649 -10.220 12.951 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.364 -8.142 13.432 1.00 0.00 O ATOM 0 H GLU A 22 84.264 -9.345 8.830 1.00 0.00 H new ATOM 0 HA GLU A 22 86.950 -8.609 9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.205 -10.690 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 22 86.769 -10.182 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 22 85.992 -7.836 11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.458 -8.259 10.674 1.00 0.00 H new ATOM 342 N ASN A 23 86.483 -11.782 8.407 1.00 0.00 N ATOM 343 CA ASN A 23 87.181 -12.969 7.863 1.00 0.00 C ATOM 344 C ASN A 23 87.826 -12.572 6.540 1.00 0.00 C ATOM 345 O ASN A 23 88.970 -12.882 6.275 1.00 0.00 O ATOM 346 CB ASN A 23 86.172 -14.095 7.636 1.00 0.00 C ATOM 347 CG ASN A 23 86.932 -15.382 7.312 1.00 0.00 C ATOM 348 OD1 ASN A 23 87.808 -15.779 8.052 1.00 0.00 O ATOM 349 ND2 ASN A 23 86.636 -16.056 6.235 1.00 0.00 N ATOM 0 H ASN A 23 85.477 -11.892 8.535 1.00 0.00 H new ATOM 0 HA ASN A 23 87.942 -13.319 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.556 -14.234 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 23 85.498 -13.839 6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 23 87.141 -16.915 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 23 85.900 -15.724 5.612 1.00 0.00 H new ATOM 356 N LEU A 24 87.101 -11.859 5.718 1.00 0.00 N ATOM 357 CA LEU A 24 87.675 -11.411 4.422 1.00 0.00 C ATOM 358 C LEU A 24 88.835 -10.463 4.713 1.00 0.00 C ATOM 359 O LEU A 24 89.875 -10.528 4.089 1.00 0.00 O ATOM 360 CB LEU A 24 86.609 -10.671 3.611 1.00 0.00 C ATOM 361 CG LEU A 24 85.530 -11.657 3.167 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.377 -10.896 2.507 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.132 -12.642 2.169 1.00 0.00 C ATOM 0 H LEU A 24 86.138 -11.570 5.891 1.00 0.00 H new ATOM 0 HA LEU A 24 88.021 -12.273 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.166 -9.877 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.063 -10.197 2.741 1.00 0.00 H new ATOM 0 HG LEU A 24 85.151 -12.199 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.609 -11.602 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 24 83.951 -10.191 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.750 -10.353 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.367 -13.349 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.509 -12.098 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 24 86.951 -13.184 2.642 1.00 0.00 H new ATOM 375 N LEU A 25 88.672 -9.592 5.680 1.00 0.00 N ATOM 376 CA LEU A 25 89.778 -8.657 6.031 1.00 0.00 C ATOM 377 C LEU A 25 90.884 -9.482 6.664 1.00 0.00 C ATOM 378 O LEU A 25 92.057 -9.200 6.530 1.00 0.00 O ATOM 379 CB LEU A 25 89.286 -7.596 7.026 1.00 0.00 C ATOM 380 CG LEU A 25 88.360 -6.598 6.315 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.394 -5.962 7.327 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.208 -5.495 5.665 1.00 0.00 C ATOM 0 H LEU A 25 87.823 -9.491 6.237 1.00 0.00 H new ATOM 0 HA LEU A 25 90.137 -8.142 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.755 -8.075 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.137 -7.070 7.460 1.00 0.00 H new ATOM 0 HG LEU A 25 87.785 -7.124 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.742 -5.256 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.790 -6.741 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 25 87.964 -5.437 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.555 -4.784 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.782 -4.977 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 25 89.890 -5.940 4.941 1.00 0.00 H new ATOM 394 N ARG A 26 90.503 -10.511 7.353 1.00 0.00 N ATOM 395 CA ARG A 26 91.492 -11.392 8.008 1.00 0.00 C ATOM 396 C ARG A 26 91.984 -12.442 7.018 1.00 0.00 C ATOM 397 O ARG A 26 92.775 -13.303 7.349 1.00 0.00 O ATOM 398 CB ARG A 26 90.824 -12.052 9.218 1.00 0.00 C ATOM 399 CG ARG A 26 90.720 -11.035 10.352 1.00 0.00 C ATOM 400 CD ARG A 26 89.989 -11.661 11.539 1.00 0.00 C ATOM 401 NE ARG A 26 89.831 -10.632 12.599 1.00 0.00 N ATOM 402 CZ ARG A 26 88.984 -10.807 13.573 1.00 0.00 C ATOM 403 NH1 ARG A 26 88.253 -11.887 13.631 1.00 0.00 N ATOM 404 NH2 ARG A 26 88.874 -9.896 14.499 1.00 0.00 N ATOM 0 H ARG A 26 89.530 -10.783 7.492 1.00 0.00 H new ATOM 0 HA ARG A 26 92.355 -10.815 8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 26 89.833 -12.415 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.403 -12.917 9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.716 -10.711 10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 26 90.186 -10.148 10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 26 89.014 -12.035 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.550 -12.514 11.921 1.00 0.00 H new ATOM 0 HE ARG A 26 90.391 -9.780 12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 26 88.342 -12.603 12.910 1.00 0.00 H new ATOM 0 HH12 ARG A 26 87.592 -12.015 14.398 1.00 0.00 H new ATOM 0 HH21 ARG A 26 89.449 -9.054 14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 26 88.213 -10.025 15.265 1.00 0.00 H new ATOM 418 N GLY A 27 91.525 -12.374 5.807 1.00 0.00 N ATOM 419 CA GLY A 27 91.965 -13.370 4.788 1.00 0.00 C ATOM 420 C GLY A 27 92.870 -12.696 3.759 1.00 0.00 C ATOM 421 O GLY A 27 93.219 -13.281 2.752 1.00 0.00 O ATOM 0 H GLY A 27 90.863 -11.673 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 27 92.497 -14.188 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 27 91.097 -13.804 4.292 1.00 0.00 H new ATOM 425 N LYS A 28 93.256 -11.472 3.990 1.00 0.00 N ATOM 426 CA LYS A 28 94.135 -10.794 3.002 1.00 0.00 C ATOM 427 C LYS A 28 95.163 -9.911 3.710 1.00 0.00 C ATOM 428 O LYS A 28 94.992 -9.514 4.845 1.00 0.00 O ATOM 429 CB LYS A 28 93.279 -9.951 2.061 1.00 0.00 C ATOM 430 CG LYS A 28 92.428 -8.984 2.875 1.00 0.00 C ATOM 431 CD LYS A 28 91.196 -8.602 2.067 1.00 0.00 C ATOM 432 CE LYS A 28 90.831 -7.149 2.357 1.00 0.00 C ATOM 433 NZ LYS A 28 89.561 -6.822 1.663 1.00 0.00 N ATOM 0 H LYS A 28 93.004 -10.919 4.809 1.00 0.00 H new ATOM 0 HA LYS A 28 94.673 -11.549 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.916 -9.398 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 28 92.639 -10.596 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.132 -9.446 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.005 -8.094 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.390 -8.734 1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 28 90.362 -9.256 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.724 -6.995 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.627 -6.486 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 89.270 -5.855 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 89.700 -6.890 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 88.822 -7.492 1.957 1.00 0.00 H new ATOM 447 N ARG A 29 96.244 -9.629 3.042 1.00 0.00 N ATOM 448 CA ARG A 29 97.333 -8.800 3.644 1.00 0.00 C ATOM 449 C ARG A 29 97.067 -7.300 3.461 1.00 0.00 C ATOM 450 O ARG A 29 96.262 -6.883 2.655 1.00 0.00 O ATOM 451 CB ARG A 29 98.653 -9.154 2.963 1.00 0.00 C ATOM 452 CG ARG A 29 99.812 -8.634 3.808 1.00 0.00 C ATOM 453 CD ARG A 29 101.131 -9.027 3.149 1.00 0.00 C ATOM 454 NE ARG A 29 102.047 -9.606 4.176 1.00 0.00 N ATOM 455 CZ ARG A 29 102.145 -9.059 5.358 1.00 0.00 C ATOM 456 NH1 ARG A 29 101.534 -7.936 5.618 1.00 0.00 N ATOM 457 NH2 ARG A 29 102.883 -9.619 6.277 1.00 0.00 N ATOM 0 H ARG A 29 96.426 -9.941 2.088 1.00 0.00 H new ATOM 0 HA ARG A 29 97.374 -9.011 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.734 -10.234 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 29 98.690 -8.716 1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 29 99.749 -7.550 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 29 99.758 -9.048 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.952 -9.753 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.592 -8.155 2.685 1.00 0.00 H new ATOM 0 HE ARG A 29 102.600 -10.434 3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 29 100.976 -7.480 4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 29 101.614 -7.514 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 29 103.383 -10.484 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 29 102.960 -9.192 7.200 1.00 0.00 H new ATOM 471 N ASP A 30 97.766 -6.495 4.217 1.00 0.00 N ATOM 472 CA ASP A 30 97.615 -5.011 4.138 1.00 0.00 C ATOM 473 C ASP A 30 97.533 -4.559 2.678 1.00 0.00 C ATOM 474 O ASP A 30 97.946 -5.256 1.770 1.00 0.00 O ATOM 475 CB ASP A 30 98.850 -4.372 4.772 1.00 0.00 C ATOM 476 CG ASP A 30 98.939 -4.785 6.238 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.903 -5.063 6.824 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.044 -4.820 6.748 1.00 0.00 O ATOM 0 H ASP A 30 98.452 -6.812 4.902 1.00 0.00 H new ATOM 0 HA ASP A 30 96.703 -4.713 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.748 -4.684 4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.793 -3.286 4.691 1.00 0.00 H new ATOM 483 N GLY A 31 97.005 -3.386 2.455 1.00 0.00 N ATOM 484 CA GLY A 31 96.896 -2.856 1.059 1.00 0.00 C ATOM 485 C GLY A 31 95.617 -3.372 0.407 1.00 0.00 C ATOM 486 O GLY A 31 95.057 -2.745 -0.469 1.00 0.00 O ATOM 0 H GLY A 31 96.642 -2.767 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.893 -1.766 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.763 -3.165 0.475 1.00 0.00 H new ATOM 490 N THR A 32 95.146 -4.506 0.833 1.00 0.00 N ATOM 491 CA THR A 32 93.902 -5.060 0.240 1.00 0.00 C ATOM 492 C THR A 32 92.709 -4.470 0.984 1.00 0.00 C ATOM 493 O THR A 32 92.616 -4.560 2.195 1.00 0.00 O ATOM 494 CB THR A 32 93.904 -6.581 0.395 1.00 0.00 C ATOM 495 OG1 THR A 32 95.167 -7.088 -0.004 1.00 0.00 O ATOM 496 CG2 THR A 32 92.815 -7.190 -0.491 1.00 0.00 C ATOM 0 H THR A 32 95.569 -5.074 1.567 1.00 0.00 H new ATOM 0 HA THR A 32 93.842 -4.808 -0.819 1.00 0.00 H new ATOM 0 HB THR A 32 93.712 -6.840 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.771 -7.105 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.819 -8.274 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.842 -6.798 -0.194 1.00 0.00 H new ATOM 0 HG23 THR A 32 93.007 -6.933 -1.533 1.00 0.00 H new ATOM 504 N PHE A 33 91.798 -3.859 0.283 1.00 0.00 N ATOM 505 CA PHE A 33 90.626 -3.273 0.976 1.00 0.00 C ATOM 506 C PHE A 33 89.353 -3.675 0.234 1.00 0.00 C ATOM 507 O PHE A 33 89.399 -4.269 -0.825 1.00 0.00 O ATOM 508 CB PHE A 33 90.742 -1.744 1.024 1.00 0.00 C ATOM 509 CG PHE A 33 89.874 -1.130 -0.052 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.369 -0.931 -1.345 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.554 -0.781 0.251 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.532 -0.383 -2.331 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.731 -0.233 -0.734 1.00 0.00 C ATOM 514 CZ PHE A 33 88.220 -0.036 -2.018 1.00 0.00 C ATOM 0 H PHE A 33 91.815 -3.742 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 33 90.590 -3.648 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.436 -1.378 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.780 -1.444 0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.388 -1.197 -1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.171 -0.936 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.906 -0.231 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.713 0.038 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.580 0.388 -2.778 1.00 0.00 H new ATOM 524 N LEU A 34 88.218 -3.359 0.787 1.00 0.00 N ATOM 525 CA LEU A 34 86.943 -3.730 0.104 1.00 0.00 C ATOM 526 C LEU A 34 85.845 -2.717 0.445 1.00 0.00 C ATOM 527 O LEU A 34 85.977 -1.919 1.355 1.00 0.00 O ATOM 528 CB LEU A 34 86.520 -5.136 0.551 1.00 0.00 C ATOM 529 CG LEU A 34 86.058 -5.102 2.010 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.584 -5.501 2.101 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.891 -6.086 2.834 1.00 0.00 C ATOM 0 H LEU A 34 88.114 -2.865 1.673 1.00 0.00 H new ATOM 0 HA LEU A 34 87.097 -3.723 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.715 -5.503 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.354 -5.829 0.441 1.00 0.00 H new ATOM 0 HG LEU A 34 86.186 -4.091 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.263 -5.474 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.982 -4.804 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.455 -6.509 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.561 -6.061 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.763 -7.093 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.943 -5.806 2.780 1.00 0.00 H new ATOM 543 N VAL A 35 84.761 -2.750 -0.283 1.00 0.00 N ATOM 544 CA VAL A 35 83.646 -1.806 -0.017 1.00 0.00 C ATOM 545 C VAL A 35 82.448 -2.591 0.506 1.00 0.00 C ATOM 546 O VAL A 35 82.163 -3.682 0.054 1.00 0.00 O ATOM 547 CB VAL A 35 83.257 -1.073 -1.312 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.937 -0.339 -1.096 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.336 -0.052 -1.665 1.00 0.00 C ATOM 0 H VAL A 35 84.602 -3.397 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 35 83.960 -1.070 0.723 1.00 0.00 H new ATOM 0 HB VAL A 35 83.155 -1.797 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.657 0.182 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.160 -1.057 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.050 0.383 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.060 0.467 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.432 0.670 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.288 -0.564 -1.810 1.00 0.00 H new ATOM 559 N ARG A 36 81.748 -2.059 1.466 1.00 0.00 N ATOM 560 CA ARG A 36 80.577 -2.787 2.018 1.00 0.00 C ATOM 561 C ARG A 36 79.592 -1.779 2.594 1.00 0.00 C ATOM 562 O ARG A 36 79.844 -0.590 2.597 1.00 0.00 O ATOM 563 CB ARG A 36 81.043 -3.743 3.114 1.00 0.00 C ATOM 564 CG ARG A 36 81.738 -2.955 4.222 1.00 0.00 C ATOM 565 CD ARG A 36 81.504 -3.661 5.556 1.00 0.00 C ATOM 566 NE ARG A 36 82.114 -2.854 6.649 1.00 0.00 N ATOM 567 CZ ARG A 36 81.834 -3.125 7.892 1.00 0.00 C ATOM 568 NH1 ARG A 36 80.957 -4.050 8.178 1.00 0.00 N ATOM 569 NH2 ARG A 36 82.420 -2.460 8.850 1.00 0.00 N ATOM 0 H ARG A 36 81.937 -1.152 1.892 1.00 0.00 H new ATOM 0 HA ARG A 36 80.090 -3.360 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.191 -4.288 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.726 -4.484 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.806 -2.880 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 36 81.349 -1.937 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 36 80.436 -3.786 5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 36 81.943 -4.659 5.535 1.00 0.00 H new ATOM 0 HE ARG A 36 82.751 -2.089 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 36 80.491 -4.560 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 36 80.738 -4.262 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.096 -1.730 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.202 -2.670 9.824 1.00 0.00 H new ATOM 583 N GLU A 37 78.477 -2.226 3.096 1.00 0.00 N ATOM 584 CA GLU A 37 77.514 -1.270 3.670 1.00 0.00 C ATOM 585 C GLU A 37 77.877 -1.047 5.127 1.00 0.00 C ATOM 586 O GLU A 37 78.667 -1.772 5.698 1.00 0.00 O ATOM 587 CB GLU A 37 76.098 -1.848 3.587 1.00 0.00 C ATOM 588 CG GLU A 37 76.057 -3.210 4.284 1.00 0.00 C ATOM 589 CD GLU A 37 76.363 -4.313 3.268 1.00 0.00 C ATOM 590 OE1 GLU A 37 76.578 -3.985 2.114 1.00 0.00 O ATOM 591 OE2 GLU A 37 76.371 -5.468 3.663 1.00 0.00 O ATOM 0 H GLU A 37 78.198 -3.207 3.130 1.00 0.00 H new ATOM 0 HA GLU A 37 77.548 -0.330 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.388 -1.167 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.798 -1.953 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.784 -3.237 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.076 -3.373 4.729 1.00 0.00 H new ATOM 677 N TYR A 44 77.406 3.603 4.251 1.00 0.00 N ATOM 678 CA TYR A 44 78.377 2.722 3.537 1.00 0.00 C ATOM 679 C TYR A 44 79.761 2.844 4.185 1.00 0.00 C ATOM 680 O TYR A 44 80.028 3.767 4.925 1.00 0.00 O ATOM 681 CB TYR A 44 78.469 3.135 2.067 1.00 0.00 C ATOM 682 CG TYR A 44 77.136 2.932 1.393 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.784 1.674 0.886 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.254 4.009 1.267 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.548 1.501 0.250 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.022 3.835 0.637 1.00 0.00 C ATOM 687 CZ TYR A 44 74.667 2.581 0.127 1.00 0.00 C ATOM 688 OH TYR A 44 73.451 2.413 -0.503 1.00 0.00 O ATOM 0 HA TYR A 44 78.034 1.690 3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.769 4.180 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.235 2.547 1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.464 0.840 0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.527 4.978 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.275 0.534 -0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.342 4.668 0.543 1.00 0.00 H new ATOM 0 HH TYR A 44 72.961 3.262 -0.501 1.00 0.00 H new ATOM 698 N ALA A 45 80.636 1.901 3.932 1.00 0.00 N ATOM 699 CA ALA A 45 81.992 1.956 4.556 1.00 0.00 C ATOM 700 C ALA A 45 82.985 1.084 3.774 1.00 0.00 C ATOM 701 O ALA A 45 82.626 0.066 3.211 1.00 0.00 O ATOM 702 CB ALA A 45 81.887 1.425 5.985 1.00 0.00 C ATOM 0 H ALA A 45 80.470 1.100 3.323 1.00 0.00 H new ATOM 0 HA ALA A 45 82.349 2.986 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.868 1.457 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 45 81.190 2.042 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.527 0.396 5.965 1.00 0.00 H new ATOM 708 N CYS A 46 84.241 1.464 3.756 1.00 0.00 N ATOM 709 CA CYS A 46 85.265 0.645 3.035 1.00 0.00 C ATOM 710 C CYS A 46 86.199 0.015 4.065 1.00 0.00 C ATOM 711 O CYS A 46 86.794 0.696 4.878 1.00 0.00 O ATOM 712 CB CYS A 46 86.085 1.526 2.080 1.00 0.00 C ATOM 713 SG CYS A 46 84.978 2.315 0.887 1.00 0.00 S ATOM 0 H CYS A 46 84.600 2.305 4.209 1.00 0.00 H new ATOM 0 HA CYS A 46 84.762 -0.127 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.629 2.284 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.828 0.922 1.559 1.00 0.00 H new ATOM 0 HG CYS A 46 85.632 3.219 0.220 1.00 0.00 H new ATOM 719 N SER A 47 86.332 -1.279 4.046 1.00 0.00 N ATOM 720 CA SER A 47 87.223 -1.937 5.038 1.00 0.00 C ATOM 721 C SER A 47 88.636 -2.070 4.470 1.00 0.00 C ATOM 722 O SER A 47 88.831 -2.373 3.309 1.00 0.00 O ATOM 723 CB SER A 47 86.663 -3.312 5.391 1.00 0.00 C ATOM 724 OG SER A 47 85.384 -3.147 5.988 1.00 0.00 O ATOM 0 H SER A 47 85.866 -1.907 3.391 1.00 0.00 H new ATOM 0 HA SER A 47 87.270 -1.327 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.585 -3.929 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 47 87.335 -3.829 6.076 1.00 0.00 H new ATOM 0 HG SER A 47 85.014 -4.025 6.217 1.00 0.00 H new ATOM 730 N VAL A 48 89.624 -1.840 5.292 1.00 0.00 N ATOM 731 CA VAL A 48 91.029 -1.944 4.826 1.00 0.00 C ATOM 732 C VAL A 48 91.832 -2.753 5.856 1.00 0.00 C ATOM 733 O VAL A 48 91.470 -2.837 7.011 1.00 0.00 O ATOM 734 CB VAL A 48 91.639 -0.544 4.725 1.00 0.00 C ATOM 735 CG1 VAL A 48 93.069 -0.648 4.199 1.00 0.00 C ATOM 736 CG2 VAL A 48 90.802 0.333 3.785 1.00 0.00 C ATOM 0 H VAL A 48 89.513 -1.583 6.273 1.00 0.00 H new ATOM 0 HA VAL A 48 91.056 -2.430 3.851 1.00 0.00 H new ATOM 0 HB VAL A 48 91.648 -0.087 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.504 0.349 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 48 93.664 -1.255 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 48 93.061 -1.112 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 48 91.247 1.326 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 48 90.778 -0.117 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 48 89.786 0.414 4.172 1.00 0.00 H new ATOM 746 N VAL A 49 92.923 -3.331 5.446 1.00 0.00 N ATOM 747 CA VAL A 49 93.767 -4.121 6.393 1.00 0.00 C ATOM 748 C VAL A 49 95.099 -3.386 6.578 1.00 0.00 C ATOM 749 O VAL A 49 95.688 -2.923 5.616 1.00 0.00 O ATOM 750 CB VAL A 49 94.038 -5.509 5.805 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.929 -6.310 6.753 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.726 -6.268 5.611 1.00 0.00 C ATOM 0 H VAL A 49 93.273 -3.292 4.489 1.00 0.00 H new ATOM 0 HA VAL A 49 93.254 -4.230 7.349 1.00 0.00 H new ATOM 0 HB VAL A 49 94.534 -5.383 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.118 -7.296 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.875 -5.787 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.430 -6.419 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.934 -7.253 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.225 -6.381 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.082 -5.713 4.929 1.00 0.00 H new ATOM 762 N VAL A 50 95.593 -3.268 7.787 1.00 0.00 N ATOM 763 CA VAL A 50 96.889 -2.557 7.968 1.00 0.00 C ATOM 764 C VAL A 50 97.885 -3.475 8.682 1.00 0.00 C ATOM 765 O VAL A 50 97.510 -4.431 9.328 1.00 0.00 O ATOM 766 CB VAL A 50 96.658 -1.251 8.761 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.448 -1.268 10.076 1.00 0.00 C ATOM 768 CG2 VAL A 50 97.100 -0.046 7.917 1.00 0.00 C ATOM 0 H VAL A 50 95.162 -3.627 8.639 1.00 0.00 H new ATOM 0 HA VAL A 50 97.307 -2.294 6.996 1.00 0.00 H new ATOM 0 HB VAL A 50 95.595 -1.171 8.990 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.271 -0.339 10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.123 -2.112 10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.512 -1.365 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 50 96.935 0.873 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 50 98.159 -0.139 7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 50 96.520 -0.015 6.995 1.00 0.00 H new ATOM 778 N ASP A 51 99.154 -3.196 8.540 1.00 0.00 N ATOM 779 CA ASP A 51 100.194 -4.054 9.177 1.00 0.00 C ATOM 780 C ASP A 51 100.116 -3.927 10.684 1.00 0.00 C ATOM 781 O ASP A 51 101.049 -3.503 11.337 1.00 0.00 O ATOM 782 CB ASP A 51 101.579 -3.598 8.723 1.00 0.00 C ATOM 783 CG ASP A 51 102.638 -4.517 9.332 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.282 -5.307 10.193 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.787 -4.405 8.938 1.00 0.00 O ATOM 0 H ASP A 51 99.516 -2.406 8.007 1.00 0.00 H new ATOM 0 HA ASP A 51 100.023 -5.090 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.643 -3.621 7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.754 -2.567 9.031 1.00 0.00 H new ATOM 790 N GLY A 52 99.012 -4.303 11.240 1.00 0.00 N ATOM 791 CA GLY A 52 98.865 -4.216 12.711 1.00 0.00 C ATOM 792 C GLY A 52 97.423 -4.528 13.092 1.00 0.00 C ATOM 793 O GLY A 52 97.170 -5.193 14.070 1.00 0.00 O ATOM 0 H GLY A 52 98.201 -4.668 10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.542 -4.918 13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.137 -3.219 13.057 1.00 0.00 H new ATOM 797 N GLU A 53 96.471 -4.047 12.338 1.00 0.00 N ATOM 798 CA GLU A 53 95.056 -4.326 12.691 1.00 0.00 C ATOM 799 C GLU A 53 94.133 -4.068 11.492 1.00 0.00 C ATOM 800 O GLU A 53 94.472 -3.359 10.564 1.00 0.00 O ATOM 801 CB GLU A 53 94.657 -3.429 13.864 1.00 0.00 C ATOM 802 CG GLU A 53 93.175 -3.621 14.174 1.00 0.00 C ATOM 803 CD GLU A 53 92.803 -2.855 15.449 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.704 -2.378 16.119 1.00 0.00 O ATOM 805 OE2 GLU A 53 91.622 -2.762 15.736 1.00 0.00 O ATOM 0 H GLU A 53 96.613 -3.479 11.502 1.00 0.00 H new ATOM 0 HA GLU A 53 94.955 -5.374 12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 53 95.257 -3.672 14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 53 94.856 -2.385 13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 53 92.571 -3.267 13.338 1.00 0.00 H new ATOM 0 HG3 GLU A 53 92.956 -4.681 14.300 1.00 0.00 H new ATOM 812 N VAL A 54 92.953 -4.631 11.525 1.00 0.00 N ATOM 813 CA VAL A 54 91.974 -4.418 10.419 1.00 0.00 C ATOM 814 C VAL A 54 91.161 -3.161 10.744 1.00 0.00 C ATOM 815 O VAL A 54 90.604 -3.042 11.817 1.00 0.00 O ATOM 816 CB VAL A 54 91.037 -5.627 10.323 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.849 -5.296 9.413 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.807 -6.818 9.745 1.00 0.00 C ATOM 0 H VAL A 54 92.623 -5.235 12.278 1.00 0.00 H new ATOM 0 HA VAL A 54 92.493 -4.299 9.468 1.00 0.00 H new ATOM 0 HB VAL A 54 90.666 -5.876 11.317 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.187 -6.160 9.350 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.301 -4.449 9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.213 -5.044 8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.144 -7.680 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.178 -6.564 8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.648 -7.058 10.396 1.00 0.00 H new ATOM 828 N LYS A 55 91.100 -2.214 9.851 1.00 0.00 N ATOM 829 CA LYS A 55 90.334 -0.972 10.158 1.00 0.00 C ATOM 830 C LYS A 55 89.127 -0.853 9.234 1.00 0.00 C ATOM 831 O LYS A 55 89.112 -1.384 8.142 1.00 0.00 O ATOM 832 CB LYS A 55 91.237 0.242 9.958 1.00 0.00 C ATOM 833 CG LYS A 55 92.321 0.240 11.028 1.00 0.00 C ATOM 834 CD LYS A 55 93.557 -0.459 10.474 1.00 0.00 C ATOM 835 CE LYS A 55 94.620 -0.548 11.567 1.00 0.00 C ATOM 836 NZ LYS A 55 93.965 -0.472 12.904 1.00 0.00 N ATOM 0 H LYS A 55 91.541 -2.243 8.932 1.00 0.00 H new ATOM 0 HA LYS A 55 89.990 -1.016 11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.688 0.216 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.652 1.160 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.564 1.261 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.967 -0.272 11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.297 -1.457 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.946 0.090 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 55 95.175 -1.482 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 55 95.340 0.263 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 94.667 -0.668 13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.570 0.480 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 93.201 -1.175 12.957 1.00 0.00 H new ATOM 850 N HIS A 56 88.120 -0.139 9.657 1.00 0.00 N ATOM 851 CA HIS A 56 86.920 0.034 8.797 1.00 0.00 C ATOM 852 C HIS A 56 86.776 1.514 8.440 1.00 0.00 C ATOM 853 O HIS A 56 86.612 2.355 9.303 1.00 0.00 O ATOM 854 CB HIS A 56 85.666 -0.431 9.544 1.00 0.00 C ATOM 855 CG HIS A 56 85.708 -1.922 9.745 1.00 0.00 C ATOM 856 ND1 HIS A 56 84.995 -2.546 10.753 1.00 0.00 N ATOM 857 CD2 HIS A 56 86.382 -2.923 9.089 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.258 -3.864 10.684 1.00 0.00 C ATOM 859 NE2 HIS A 56 86.099 -4.148 9.686 1.00 0.00 N ATOM 0 H HIS A 56 88.078 0.331 10.561 1.00 0.00 H new ATOM 0 HA HIS A 56 87.035 -0.562 7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.600 0.072 10.509 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.774 -0.157 8.980 1.00 0.00 H new ATOM 0 HD1 HIS A 56 84.381 -2.089 11.427 1.00 0.00 H new ATOM 0 HD2 HIS A 56 87.033 -2.781 8.239 1.00 0.00 H new ATOM 0 HE1 HIS A 56 84.840 -4.601 11.353 1.00 0.00 H new ATOM 867 N CYS A 57 86.811 1.843 7.177 1.00 0.00 N ATOM 868 CA CYS A 57 86.653 3.269 6.779 1.00 0.00 C ATOM 869 C CYS A 57 85.174 3.516 6.507 1.00 0.00 C ATOM 870 O CYS A 57 84.553 2.824 5.734 1.00 0.00 O ATOM 871 CB CYS A 57 87.475 3.552 5.520 1.00 0.00 C ATOM 872 SG CYS A 57 87.450 5.328 5.166 1.00 0.00 S ATOM 0 H CYS A 57 86.942 1.187 6.407 1.00 0.00 H new ATOM 0 HA CYS A 57 87.006 3.928 7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.501 3.213 5.660 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.068 2.997 4.675 1.00 0.00 H new ATOM 0 HG CYS A 57 88.450 5.630 4.393 1.00 0.00 H new ATOM 878 N VAL A 58 84.596 4.467 7.165 1.00 0.00 N ATOM 879 CA VAL A 58 83.151 4.717 6.970 1.00 0.00 C ATOM 880 C VAL A 58 82.918 5.835 5.951 1.00 0.00 C ATOM 881 O VAL A 58 83.529 6.884 6.009 1.00 0.00 O ATOM 882 CB VAL A 58 82.549 5.108 8.317 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.824 6.587 8.592 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.044 4.849 8.294 1.00 0.00 C ATOM 0 H VAL A 58 85.061 5.084 7.831 1.00 0.00 H new ATOM 0 HA VAL A 58 82.676 3.814 6.585 1.00 0.00 H new ATOM 0 HB VAL A 58 83.002 4.511 9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 58 82.393 6.864 9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.900 6.759 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.375 7.193 7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.612 5.128 9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.585 5.443 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.860 3.791 8.106 1.00 0.00 H new ATOM 894 N ILE A 59 82.021 5.615 5.024 1.00 0.00 N ATOM 895 CA ILE A 59 81.716 6.659 4.006 1.00 0.00 C ATOM 896 C ILE A 59 80.245 7.037 4.135 1.00 0.00 C ATOM 897 O ILE A 59 79.382 6.184 4.180 1.00 0.00 O ATOM 898 CB ILE A 59 81.971 6.110 2.607 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.452 5.769 2.463 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.580 7.166 1.572 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.670 4.989 1.170 1.00 0.00 C ATOM 0 H ILE A 59 81.485 4.752 4.930 1.00 0.00 H new ATOM 0 HA ILE A 59 82.351 7.530 4.166 1.00 0.00 H new ATOM 0 HB ILE A 59 81.376 5.211 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 59 84.047 6.682 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.785 5.179 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.761 6.778 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.523 7.409 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.177 8.065 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.727 4.745 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.086 4.069 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.352 5.595 0.322 1.00 0.00 H new ATOM 913 N ASN A 60 79.945 8.299 4.208 1.00 0.00 N ATOM 914 CA ASN A 60 78.520 8.704 4.352 1.00 0.00 C ATOM 915 C ASN A 60 78.038 9.396 3.074 1.00 0.00 C ATOM 916 O ASN A 60 78.599 10.383 2.649 1.00 0.00 O ATOM 917 CB ASN A 60 78.394 9.665 5.537 1.00 0.00 C ATOM 918 CG ASN A 60 78.699 8.916 6.838 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.038 7.953 7.163 1.00 0.00 O ATOM 920 ND2 ASN A 60 79.683 9.320 7.597 1.00 0.00 N ATOM 0 H ASN A 60 80.618 9.065 4.175 1.00 0.00 H new ATOM 0 HA ASN A 60 77.906 7.820 4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.083 10.501 5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.388 10.084 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.895 8.825 8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 60 80.239 10.130 7.323 1.00 0.00 H new ATOM 1167 N SER A 77 81.894 10.791 -7.973 1.00 0.00 N ATOM 1168 CA SER A 77 81.684 9.387 -8.437 1.00 0.00 C ATOM 1169 C SER A 77 82.325 8.401 -7.459 1.00 0.00 C ATOM 1170 O SER A 77 83.392 8.637 -6.926 1.00 0.00 O ATOM 1171 CB SER A 77 82.319 9.204 -9.814 1.00 0.00 C ATOM 1172 OG SER A 77 82.057 7.886 -10.279 1.00 0.00 O ATOM 0 HA SER A 77 80.613 9.194 -8.490 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.916 9.936 -10.514 1.00 0.00 H new ATOM 0 HB3 SER A 77 83.394 9.375 -9.758 1.00 0.00 H new ATOM 0 HG SER A 77 82.461 7.765 -11.163 1.00 0.00 H new ATOM 1178 N LEU A 78 81.679 7.289 -7.226 1.00 0.00 N ATOM 1179 CA LEU A 78 82.240 6.275 -6.289 1.00 0.00 C ATOM 1180 C LEU A 78 83.587 5.778 -6.819 1.00 0.00 C ATOM 1181 O LEU A 78 84.510 5.545 -6.065 1.00 0.00 O ATOM 1182 CB LEU A 78 81.274 5.093 -6.178 1.00 0.00 C ATOM 1183 CG LEU A 78 80.006 5.537 -5.449 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.859 4.607 -5.828 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.228 5.452 -3.940 1.00 0.00 C ATOM 0 H LEU A 78 80.784 7.040 -7.646 1.00 0.00 H new ATOM 0 HA LEU A 78 82.379 6.728 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.023 4.720 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.747 4.272 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 78 79.767 6.563 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 78 77.952 4.919 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.696 4.650 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.108 3.586 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.323 5.769 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.464 4.424 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.056 6.102 -3.657 1.00 0.00 H new ATOM 1197 N LYS A 79 83.708 5.615 -8.110 1.00 0.00 N ATOM 1198 CA LYS A 79 84.998 5.132 -8.675 1.00 0.00 C ATOM 1199 C LYS A 79 86.103 6.124 -8.301 1.00 0.00 C ATOM 1200 O LYS A 79 87.212 5.744 -7.971 1.00 0.00 O ATOM 1201 CB LYS A 79 84.894 5.052 -10.200 1.00 0.00 C ATOM 1202 CG LYS A 79 83.810 4.048 -10.610 1.00 0.00 C ATOM 1203 CD LYS A 79 84.233 2.626 -10.229 1.00 0.00 C ATOM 1204 CE LYS A 79 83.317 1.615 -10.926 1.00 0.00 C ATOM 1205 NZ LYS A 79 82.302 1.105 -9.961 1.00 0.00 N ATOM 0 H LYS A 79 82.972 5.795 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 79 85.227 4.144 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.660 6.036 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.854 4.753 -10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 79 82.869 4.298 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 79 83.637 4.108 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 79 85.269 2.454 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.179 2.497 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 79 82.821 2.085 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 79 83.907 0.787 -11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 81.556 0.597 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 82.758 0.458 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 81.882 1.904 -9.444 1.00 0.00 H new ATOM 1219 N GLU A 80 85.802 7.395 -8.334 1.00 0.00 N ATOM 1220 CA GLU A 80 86.821 8.417 -7.967 1.00 0.00 C ATOM 1221 C GLU A 80 87.167 8.265 -6.489 1.00 0.00 C ATOM 1222 O GLU A 80 88.316 8.330 -6.098 1.00 0.00 O ATOM 1223 CB GLU A 80 86.253 9.816 -8.226 1.00 0.00 C ATOM 1224 CG GLU A 80 86.267 10.084 -9.728 1.00 0.00 C ATOM 1225 CD GLU A 80 87.604 10.715 -10.121 1.00 0.00 C ATOM 1226 OE1 GLU A 80 88.198 11.374 -9.282 1.00 0.00 O ATOM 1227 OE2 GLU A 80 88.013 10.528 -11.256 1.00 0.00 O ATOM 0 H GLU A 80 84.891 7.769 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 80 87.720 8.279 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.236 9.888 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 80 86.846 10.566 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.117 9.154 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.446 10.748 -9.997 1.00 0.00 H new ATOM 1234 N LEU A 81 86.181 8.059 -5.664 1.00 0.00 N ATOM 1235 CA LEU A 81 86.448 7.898 -4.210 1.00 0.00 C ATOM 1236 C LEU A 81 87.348 6.679 -3.996 1.00 0.00 C ATOM 1237 O LEU A 81 88.284 6.713 -3.225 1.00 0.00 O ATOM 1238 CB LEU A 81 85.128 7.699 -3.461 1.00 0.00 C ATOM 1239 CG LEU A 81 85.377 7.787 -1.951 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.069 8.132 -1.239 1.00 0.00 C ATOM 1241 CD2 LEU A 81 85.899 6.448 -1.415 1.00 0.00 C ATOM 0 H LEU A 81 85.200 7.995 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 81 86.943 8.791 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.407 8.457 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.697 6.730 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 81 86.121 8.561 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.245 8.195 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.699 9.090 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.330 7.357 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.071 6.528 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.163 5.667 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.835 6.196 -1.914 1.00 0.00 H new ATOM 1253 N VAL A 82 87.076 5.601 -4.686 1.00 0.00 N ATOM 1254 CA VAL A 82 87.921 4.384 -4.526 1.00 0.00 C ATOM 1255 C VAL A 82 89.324 4.666 -5.073 1.00 0.00 C ATOM 1256 O VAL A 82 90.322 4.361 -4.447 1.00 0.00 O ATOM 1257 CB VAL A 82 87.298 3.225 -5.307 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.263 2.040 -5.313 1.00 0.00 C ATOM 1259 CG2 VAL A 82 85.983 2.804 -4.647 1.00 0.00 C ATOM 0 H VAL A 82 86.307 5.513 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 82 87.984 4.120 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 82 87.102 3.545 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.821 1.213 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.199 2.336 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.458 1.725 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.543 1.979 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.176 2.486 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.292 3.647 -4.641 1.00 0.00 H new ATOM 1269 N LEU A 83 89.402 5.241 -6.243 1.00 0.00 N ATOM 1270 CA LEU A 83 90.731 5.547 -6.845 1.00 0.00 C ATOM 1271 C LEU A 83 91.440 6.632 -6.031 1.00 0.00 C ATOM 1272 O LEU A 83 92.625 6.554 -5.783 1.00 0.00 O ATOM 1273 CB LEU A 83 90.530 6.055 -8.274 1.00 0.00 C ATOM 1274 CG LEU A 83 90.135 4.899 -9.192 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.641 5.460 -10.525 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.358 4.013 -9.445 1.00 0.00 C ATOM 0 H LEU A 83 88.599 5.513 -6.810 1.00 0.00 H new ATOM 0 HA LEU A 83 91.338 4.641 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.756 6.823 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.447 6.519 -8.635 1.00 0.00 H new ATOM 0 HG LEU A 83 89.345 4.313 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.358 4.638 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.776 6.101 -10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.436 6.042 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.080 3.187 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.143 4.603 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.723 3.618 -8.497 1.00 0.00 H new ATOM 1288 N HIS A 84 90.735 7.651 -5.631 1.00 0.00 N ATOM 1289 CA HIS A 84 91.387 8.740 -4.851 1.00 0.00 C ATOM 1290 C HIS A 84 91.946 8.179 -3.540 1.00 0.00 C ATOM 1291 O HIS A 84 93.049 8.492 -3.140 1.00 0.00 O ATOM 1292 CB HIS A 84 90.365 9.844 -4.560 1.00 0.00 C ATOM 1293 CG HIS A 84 91.050 10.975 -3.841 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.970 11.799 -4.467 1.00 0.00 N ATOM 1295 CD2 HIS A 84 90.970 11.418 -2.546 1.00 0.00 C ATOM 1296 CE1 HIS A 84 92.407 12.685 -3.554 1.00 0.00 C ATOM 1297 NE2 HIS A 84 91.830 12.496 -2.365 1.00 0.00 N ATOM 0 H HIS A 84 89.739 7.778 -5.809 1.00 0.00 H new ATOM 0 HA HIS A 84 92.209 9.159 -5.431 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.924 10.202 -5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.550 9.451 -3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 84 90.335 10.994 -1.782 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.136 13.455 -3.758 1.00 0.00 H new ATOM 0 HE2 HIS A 84 91.986 13.028 -1.509 1.00 0.00 H new ATOM 1305 N TYR A 85 91.204 7.338 -2.880 1.00 0.00 N ATOM 1306 CA TYR A 85 91.694 6.742 -1.602 1.00 0.00 C ATOM 1307 C TYR A 85 92.977 5.949 -1.863 1.00 0.00 C ATOM 1308 O TYR A 85 93.830 5.820 -1.003 1.00 0.00 O ATOM 1309 CB TYR A 85 90.608 5.833 -1.040 1.00 0.00 C ATOM 1310 CG TYR A 85 89.616 6.662 -0.263 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.057 7.806 -0.846 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.252 6.290 1.037 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.134 8.574 -0.133 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.323 7.059 1.749 1.00 0.00 C ATOM 1315 CZ TYR A 85 87.765 8.202 1.165 1.00 0.00 C ATOM 1316 OH TYR A 85 86.847 8.958 1.862 1.00 0.00 O ATOM 0 H TYR A 85 90.274 7.034 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 85 91.917 7.527 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.104 5.306 -1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.051 5.075 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.340 8.094 -1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.687 5.411 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 85 87.704 9.456 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 85 88.037 6.770 2.749 1.00 0.00 H new ATOM 0 HH TYR A 85 86.701 8.562 2.747 1.00 0.00 H new ATOM 1326 N GLN A 86 93.135 5.429 -3.045 1.00 0.00 N ATOM 1327 CA GLN A 86 94.377 4.675 -3.363 1.00 0.00 C ATOM 1328 C GLN A 86 95.563 5.641 -3.324 1.00 0.00 C ATOM 1329 O GLN A 86 96.659 5.276 -2.951 1.00 0.00 O ATOM 1330 CB GLN A 86 94.268 4.087 -4.773 1.00 0.00 C ATOM 1331 CG GLN A 86 95.587 3.416 -5.159 1.00 0.00 C ATOM 1332 CD GLN A 86 95.364 2.555 -6.408 1.00 0.00 C ATOM 1333 OE1 GLN A 86 94.439 2.787 -7.158 1.00 0.00 O ATOM 1334 NE2 GLN A 86 96.183 1.574 -6.671 1.00 0.00 N ATOM 0 H GLN A 86 92.458 5.493 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 86 94.516 3.873 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.455 3.362 -4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.027 4.874 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.350 4.170 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.950 2.799 -4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.961 1.377 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 86 96.045 1.004 -7.506 1.00 0.00 H new ATOM 1343 N HIS A 87 95.361 6.867 -3.730 1.00 0.00 N ATOM 1344 CA HIS A 87 96.495 7.834 -3.730 1.00 0.00 C ATOM 1345 C HIS A 87 96.652 8.470 -2.347 1.00 0.00 C ATOM 1346 O HIS A 87 97.722 8.909 -1.978 1.00 0.00 O ATOM 1347 CB HIS A 87 96.251 8.924 -4.774 1.00 0.00 C ATOM 1348 CG HIS A 87 96.251 8.304 -6.145 1.00 0.00 C ATOM 1349 ND1 HIS A 87 97.424 7.974 -6.808 1.00 0.00 N ATOM 1350 CD2 HIS A 87 95.229 7.939 -6.988 1.00 0.00 C ATOM 1351 CE1 HIS A 87 97.082 7.434 -7.993 1.00 0.00 C ATOM 1352 NE2 HIS A 87 95.756 7.390 -8.152 1.00 0.00 N ATOM 0 H HIS A 87 94.469 7.237 -4.058 1.00 0.00 H new ATOM 0 HA HIS A 87 97.411 7.297 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 87 95.298 9.418 -4.585 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.025 9.688 -4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 87 94.176 8.060 -6.778 1.00 0.00 H new ATOM 0 HE1 HIS A 87 97.792 7.080 -8.725 1.00 0.00 H new ATOM 0 HE2 HIS A 87 95.240 7.031 -8.955 1.00 0.00 H new ATOM 1360 N THR A 88 95.602 8.524 -1.573 1.00 0.00 N ATOM 1361 CA THR A 88 95.722 9.135 -0.223 1.00 0.00 C ATOM 1362 C THR A 88 96.132 8.071 0.787 1.00 0.00 C ATOM 1363 O THR A 88 95.544 7.011 0.873 1.00 0.00 O ATOM 1364 CB THR A 88 94.383 9.752 0.184 1.00 0.00 C ATOM 1365 OG1 THR A 88 93.972 10.684 -0.808 1.00 0.00 O ATOM 1366 CG2 THR A 88 94.544 10.479 1.518 1.00 0.00 C ATOM 0 H THR A 88 94.675 8.174 -1.816 1.00 0.00 H new ATOM 0 HA THR A 88 96.482 9.916 -0.246 1.00 0.00 H new ATOM 0 HB THR A 88 93.635 8.965 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 88 93.628 10.201 -1.588 1.00 0.00 H new ATOM 0 HG21 THR A 88 93.591 10.919 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 88 94.865 9.771 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 88 95.291 11.266 1.416 1.00 0.00 H new ATOM 1374 N SER A 89 97.148 8.353 1.550 1.00 0.00 N ATOM 1375 CA SER A 89 97.625 7.383 2.555 1.00 0.00 C ATOM 1376 C SER A 89 96.751 7.483 3.806 1.00 0.00 C ATOM 1377 O SER A 89 96.446 8.558 4.278 1.00 0.00 O ATOM 1378 CB SER A 89 99.069 7.726 2.879 1.00 0.00 C ATOM 1379 OG SER A 89 99.875 7.474 1.739 1.00 0.00 O ATOM 0 H SER A 89 97.671 9.228 1.515 1.00 0.00 H new ATOM 0 HA SER A 89 97.565 6.362 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.150 8.773 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.416 7.131 3.724 1.00 0.00 H new ATOM 0 HG SER A 89 100.808 7.695 1.942 1.00 0.00 H new ATOM 1385 N LEU A 90 96.324 6.371 4.327 1.00 0.00 N ATOM 1386 CA LEU A 90 95.443 6.392 5.530 1.00 0.00 C ATOM 1387 C LEU A 90 96.209 6.799 6.795 1.00 0.00 C ATOM 1388 O LEU A 90 95.610 7.175 7.783 1.00 0.00 O ATOM 1389 CB LEU A 90 94.858 4.999 5.743 1.00 0.00 C ATOM 1390 CG LEU A 90 93.872 4.689 4.621 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.484 3.215 4.675 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.622 5.546 4.803 1.00 0.00 C ATOM 0 H LEU A 90 96.547 5.441 3.971 1.00 0.00 H new ATOM 0 HA LEU A 90 94.658 7.127 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.655 4.256 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.356 4.947 6.709 1.00 0.00 H new ATOM 0 HG LEU A 90 94.334 4.907 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.780 2.995 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.375 2.599 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 90 93.019 2.996 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.913 5.329 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.164 5.321 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.896 6.601 4.769 1.00 0.00 H new ATOM 1404 N VAL A 91 97.512 6.706 6.796 1.00 0.00 N ATOM 1405 CA VAL A 91 98.279 7.056 8.020 1.00 0.00 C ATOM 1406 C VAL A 91 97.595 8.201 8.762 1.00 0.00 C ATOM 1407 O VAL A 91 97.340 8.107 9.941 1.00 0.00 O ATOM 1408 CB VAL A 91 99.687 7.495 7.623 1.00 0.00 C ATOM 1409 CG1 VAL A 91 100.711 6.493 8.146 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.793 7.557 6.109 1.00 0.00 C ATOM 0 H VAL A 91 98.075 6.403 6.002 1.00 0.00 H new ATOM 0 HA VAL A 91 98.325 6.183 8.670 1.00 0.00 H new ATOM 0 HB VAL A 91 99.884 8.478 8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 91 101.713 6.813 7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 91 100.645 6.439 9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 91 100.508 5.510 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.798 7.870 5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 91 99.589 6.572 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 91 99.068 8.273 5.723 1.00 0.00 H new ATOM 1420 N GLN A 92 97.304 9.272 8.070 1.00 0.00 N ATOM 1421 CA GLN A 92 96.652 10.456 8.708 1.00 0.00 C ATOM 1422 C GLN A 92 95.363 10.042 9.416 1.00 0.00 C ATOM 1423 O GLN A 92 94.955 10.653 10.385 1.00 0.00 O ATOM 1424 CB GLN A 92 96.324 11.491 7.627 1.00 0.00 C ATOM 1425 CG GLN A 92 95.837 12.789 8.282 1.00 0.00 C ATOM 1426 CD GLN A 92 95.533 13.829 7.199 1.00 0.00 C ATOM 1427 OE1 GLN A 92 95.904 13.662 6.055 1.00 0.00 O ATOM 1428 NE2 GLN A 92 94.865 14.905 7.519 1.00 0.00 N ATOM 0 H GLN A 92 97.494 9.378 7.073 1.00 0.00 H new ATOM 0 HA GLN A 92 97.335 10.882 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 92 97.207 11.688 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 92 95.557 11.101 6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.943 12.596 8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 92 96.596 13.171 8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 92 94.553 15.045 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 92 94.655 15.605 6.808 1.00 0.00 H new ATOM 1437 N HIS A 93 94.711 9.022 8.947 1.00 0.00 N ATOM 1438 CA HIS A 93 93.453 8.593 9.610 1.00 0.00 C ATOM 1439 C HIS A 93 93.708 8.462 11.115 1.00 0.00 C ATOM 1440 O HIS A 93 92.968 8.973 11.930 1.00 0.00 O ATOM 1441 CB HIS A 93 93.024 7.244 9.037 1.00 0.00 C ATOM 1442 CG HIS A 93 91.665 6.891 9.566 1.00 0.00 C ATOM 1443 ND1 HIS A 93 91.474 6.455 10.867 1.00 0.00 N ATOM 1444 CD2 HIS A 93 90.420 6.920 8.990 1.00 0.00 C ATOM 1445 CE1 HIS A 93 90.155 6.243 11.031 1.00 0.00 C ATOM 1446 NE2 HIS A 93 89.466 6.511 9.917 1.00 0.00 N ATOM 0 H HIS A 93 94.991 8.468 8.138 1.00 0.00 H new ATOM 0 HA HIS A 93 92.664 9.325 9.437 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.003 7.288 7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 93 93.745 6.474 9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 93 90.212 7.215 7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 93 89.707 5.898 11.951 1.00 0.00 H new ATOM 0 HE2 HIS A 93 88.459 6.433 9.777 1.00 0.00 H new ATOM 1454 N ASN A 94 94.770 7.796 11.481 1.00 0.00 N ATOM 1455 CA ASN A 94 95.115 7.640 12.926 1.00 0.00 C ATOM 1456 C ASN A 94 96.629 7.780 13.064 1.00 0.00 C ATOM 1457 O ASN A 94 97.228 7.347 14.029 1.00 0.00 O ATOM 1458 CB ASN A 94 94.677 6.255 13.414 1.00 0.00 C ATOM 1459 CG ASN A 94 94.910 6.133 14.926 1.00 0.00 C ATOM 1460 OD1 ASN A 94 95.519 6.994 15.532 1.00 0.00 O ATOM 1461 ND2 ASN A 94 94.450 5.088 15.563 1.00 0.00 N ATOM 0 H ASN A 94 95.420 7.349 10.835 1.00 0.00 H new ATOM 0 HA ASN A 94 94.607 8.397 13.523 1.00 0.00 H new ATOM 0 HB2 ASN A 94 93.623 6.097 13.186 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.236 5.481 12.888 1.00 0.00 H new ATOM 0 HD21 ASN A 94 94.602 4.995 16.567 1.00 0.00 H new ATOM 0 HD22 ASN A 94 93.939 4.366 15.056 1.00 0.00 H new ATOM 1468 N ASP A 95 97.246 8.378 12.082 1.00 0.00 N ATOM 1469 CA ASP A 95 98.726 8.553 12.103 1.00 0.00 C ATOM 1470 C ASP A 95 99.392 7.181 12.169 1.00 0.00 C ATOM 1471 O ASP A 95 100.591 7.068 12.335 1.00 0.00 O ATOM 1472 CB ASP A 95 99.127 9.377 13.327 1.00 0.00 C ATOM 1473 CG ASP A 95 100.605 9.754 13.227 1.00 0.00 C ATOM 1474 OD1 ASP A 95 101.196 9.495 12.191 1.00 0.00 O ATOM 1475 OD2 ASP A 95 101.122 10.292 14.191 1.00 0.00 O ATOM 0 H ASP A 95 96.782 8.757 11.256 1.00 0.00 H new ATOM 0 HA ASP A 95 99.046 9.073 11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 95 98.515 10.277 13.389 1.00 0.00 H new ATOM 0 HB3 ASP A 95 98.947 8.806 14.238 1.00 0.00 H new ATOM 1480 N SER A 96 98.627 6.136 12.031 1.00 0.00 N ATOM 1481 CA SER A 96 99.221 4.774 12.082 1.00 0.00 C ATOM 1482 C SER A 96 98.609 3.907 10.982 1.00 0.00 C ATOM 1483 O SER A 96 98.798 2.708 10.950 1.00 0.00 O ATOM 1484 CB SER A 96 98.949 4.144 13.450 1.00 0.00 C ATOM 1485 OG SER A 96 97.548 4.118 13.687 1.00 0.00 O ATOM 0 H SER A 96 97.618 6.166 11.885 1.00 0.00 H new ATOM 0 HA SER A 96 100.298 4.843 11.928 1.00 0.00 H new ATOM 0 HB2 SER A 96 99.354 3.132 13.484 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.451 4.714 14.232 1.00 0.00 H new ATOM 0 HG SER A 96 97.228 5.029 13.857 1.00 0.00 H new ATOM 1491 N LEU A 97 97.890 4.493 10.064 1.00 0.00 N ATOM 1492 CA LEU A 97 97.295 3.669 8.978 1.00 0.00 C ATOM 1493 C LEU A 97 98.121 3.869 7.710 1.00 0.00 C ATOM 1494 O LEU A 97 97.687 4.484 6.757 1.00 0.00 O ATOM 1495 CB LEU A 97 95.833 4.069 8.732 1.00 0.00 C ATOM 1496 CG LEU A 97 95.016 3.914 10.018 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.521 4.022 9.693 1.00 0.00 C ATOM 1498 CD2 LEU A 97 95.297 2.551 10.639 1.00 0.00 C ATOM 0 H LEU A 97 97.692 5.493 10.019 1.00 0.00 H new ATOM 0 HA LEU A 97 97.307 2.618 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.785 5.101 8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.406 3.447 7.945 1.00 0.00 H new ATOM 0 HG LEU A 97 95.296 4.701 10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.941 3.912 10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.315 4.995 9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.244 3.236 8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.715 2.441 11.554 1.00 0.00 H new ATOM 0 HD22 LEU A 97 95.018 1.766 9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.359 2.469 10.872 1.00 0.00 H new ATOM 1510 N ASN A 98 99.322 3.355 7.709 1.00 0.00 N ATOM 1511 CA ASN A 98 100.220 3.514 6.526 1.00 0.00 C ATOM 1512 C ASN A 98 99.824 2.536 5.422 1.00 0.00 C ATOM 1513 O ASN A 98 100.538 1.604 5.111 1.00 0.00 O ATOM 1514 CB ASN A 98 101.665 3.247 6.960 1.00 0.00 C ATOM 1515 CG ASN A 98 101.865 1.750 7.222 1.00 0.00 C ATOM 1516 OD1 ASN A 98 100.909 1.008 7.323 1.00 0.00 O ATOM 1517 ND2 ASN A 98 103.079 1.271 7.338 1.00 0.00 N ATOM 0 H ASN A 98 99.724 2.827 8.484 1.00 0.00 H new ATOM 0 HA ASN A 98 100.129 4.529 6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 98 102.354 3.584 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.894 3.816 7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 98 103.220 0.276 7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.883 1.893 7.253 1.00 0.00 H new ATOM 1524 N VAL A 99 98.691 2.760 4.822 1.00 0.00 N ATOM 1525 CA VAL A 99 98.234 1.865 3.727 1.00 0.00 C ATOM 1526 C VAL A 99 97.256 2.616 2.830 1.00 0.00 C ATOM 1527 O VAL A 99 96.639 3.580 3.233 1.00 0.00 O ATOM 1528 CB VAL A 99 97.520 0.658 4.311 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.854 -0.108 3.170 1.00 0.00 C ATOM 1530 CG2 VAL A 99 98.527 -0.246 5.023 1.00 0.00 C ATOM 0 H VAL A 99 98.059 3.529 5.044 1.00 0.00 H new ATOM 0 HA VAL A 99 99.101 1.541 3.152 1.00 0.00 H new ATOM 0 HB VAL A 99 96.770 0.981 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 99 96.336 -0.979 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.138 0.541 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 99 97.613 -0.433 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 99 98.009 -1.110 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 99 99.280 -0.583 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 99 99.010 0.310 5.827 1.00 0.00 H new ATOM 1540 N THR A 100 97.095 2.172 1.619 1.00 0.00 N ATOM 1541 CA THR A 100 96.147 2.854 0.700 1.00 0.00 C ATOM 1542 C THR A 100 95.239 1.824 0.049 1.00 0.00 C ATOM 1543 O THR A 100 95.513 0.641 0.053 1.00 0.00 O ATOM 1544 CB THR A 100 96.912 3.581 -0.392 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.621 2.634 -1.182 1.00 0.00 O ATOM 1546 CG2 THR A 100 97.893 4.566 0.242 1.00 0.00 C ATOM 0 H THR A 100 97.579 1.365 1.225 1.00 0.00 H new ATOM 0 HA THR A 100 95.557 3.568 1.274 1.00 0.00 H new ATOM 0 HB THR A 100 96.214 4.128 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.114 3.101 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.442 5.088 -0.542 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.344 5.290 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.594 4.024 0.877 1.00 0.00 H new ATOM 1554 N LEU A 101 94.165 2.268 -0.525 1.00 0.00 N ATOM 1555 CA LEU A 101 93.250 1.315 -1.193 1.00 0.00 C ATOM 1556 C LEU A 101 93.793 1.034 -2.594 1.00 0.00 C ATOM 1557 O LEU A 101 93.223 1.433 -3.585 1.00 0.00 O ATOM 1558 CB LEU A 101 91.860 1.943 -1.255 1.00 0.00 C ATOM 1559 CG LEU A 101 91.325 2.074 0.172 1.00 0.00 C ATOM 1560 CD1 LEU A 101 92.026 3.229 0.893 1.00 0.00 C ATOM 1561 CD2 LEU A 101 89.811 2.324 0.136 1.00 0.00 C ATOM 0 H LEU A 101 93.881 3.247 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 101 93.182 0.374 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.907 2.921 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.192 1.326 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 101 91.524 1.149 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 101 91.638 3.314 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 101 93.098 3.038 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 101 91.841 4.159 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 101 89.433 2.417 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 101 89.607 3.244 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 101 89.316 1.489 -0.360 1.00 0.00 H new ATOM 1573 N ALA A 102 94.917 0.364 -2.671 1.00 0.00 N ATOM 1574 CA ALA A 102 95.534 0.075 -4.000 1.00 0.00 C ATOM 1575 C ALA A 102 95.184 -1.340 -4.479 1.00 0.00 C ATOM 1576 O ALA A 102 95.177 -1.602 -5.663 1.00 0.00 O ATOM 1577 CB ALA A 102 97.058 0.212 -3.901 1.00 0.00 C ATOM 0 H ALA A 102 95.434 0.005 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 102 95.139 0.792 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.506 0.001 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.313 1.227 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.440 -0.494 -3.164 1.00 0.00 H new ATOM 1583 N TYR A 103 94.921 -2.264 -3.588 1.00 0.00 N ATOM 1584 CA TYR A 103 94.610 -3.646 -4.058 1.00 0.00 C ATOM 1585 C TYR A 103 93.145 -4.013 -3.767 1.00 0.00 C ATOM 1586 O TYR A 103 92.652 -3.818 -2.672 1.00 0.00 O ATOM 1587 CB TYR A 103 95.527 -4.654 -3.362 1.00 0.00 C ATOM 1588 CG TYR A 103 96.956 -4.398 -3.772 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.486 -5.043 -4.895 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.751 -3.522 -3.026 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.812 -4.812 -5.275 1.00 0.00 C ATOM 1592 CE2 TYR A 103 99.081 -3.292 -3.405 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.610 -3.938 -4.530 1.00 0.00 C ATOM 1594 OH TYR A 103 100.919 -3.709 -4.905 1.00 0.00 O ATOM 0 H TYR A 103 94.908 -2.125 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 103 94.773 -3.678 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.426 -4.567 -2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.237 -5.670 -3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.870 -5.720 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.341 -3.024 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.219 -5.308 -6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.698 -2.617 -2.830 1.00 0.00 H new ATOM 0 HH TYR A 103 101.332 -3.076 -4.281 1.00 0.00 H new ATOM 1604 N PRO A 104 92.468 -4.556 -4.753 1.00 0.00 N ATOM 1605 CA PRO A 104 91.039 -4.992 -4.641 1.00 0.00 C ATOM 1606 C PRO A 104 90.900 -6.307 -3.869 1.00 0.00 C ATOM 1607 O PRO A 104 91.724 -7.196 -3.979 1.00 0.00 O ATOM 1608 CB PRO A 104 90.627 -5.195 -6.093 1.00 0.00 C ATOM 1609 CG PRO A 104 91.883 -5.570 -6.799 1.00 0.00 C ATOM 1610 CD PRO A 104 93.004 -4.819 -6.099 1.00 0.00 C ATOM 0 HA PRO A 104 90.428 -4.269 -4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.874 -5.978 -6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 104 90.195 -4.286 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 104 92.048 -6.646 -6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.832 -5.299 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.917 -5.413 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.250 -3.893 -6.619 1.00 0.00 H new ATOM 1618 N VAL A 105 89.872 -6.435 -3.080 1.00 0.00 N ATOM 1619 CA VAL A 105 89.690 -7.688 -2.296 1.00 0.00 C ATOM 1620 C VAL A 105 89.163 -8.838 -3.166 1.00 0.00 C ATOM 1621 O VAL A 105 89.481 -9.984 -2.930 1.00 0.00 O ATOM 1622 CB VAL A 105 88.713 -7.433 -1.152 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.350 -7.001 -1.704 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.550 -8.720 -0.343 1.00 0.00 C ATOM 0 H VAL A 105 89.150 -5.727 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 105 90.665 -7.982 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 105 89.102 -6.637 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.663 -6.822 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.466 -6.085 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.951 -7.788 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.853 -8.548 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.163 -9.509 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.517 -9.022 0.059 1.00 0.00 H new ATOM 1634 N TYR A 106 88.354 -8.564 -4.152 1.00 0.00 N ATOM 1635 CA TYR A 106 87.821 -9.679 -4.989 1.00 0.00 C ATOM 1636 C TYR A 106 88.009 -9.383 -6.472 1.00 0.00 C ATOM 1637 O TYR A 106 87.062 -9.324 -7.227 1.00 0.00 O ATOM 1638 CB TYR A 106 86.330 -9.884 -4.703 1.00 0.00 C ATOM 1639 CG TYR A 106 86.142 -10.888 -3.588 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.491 -12.229 -3.794 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.607 -10.489 -2.359 1.00 0.00 C ATOM 1642 CE1 TYR A 106 86.303 -13.166 -2.774 1.00 0.00 C ATOM 1643 CE2 TYR A 106 85.420 -11.430 -1.335 1.00 0.00 C ATOM 1644 CZ TYR A 106 85.769 -12.769 -1.548 1.00 0.00 C ATOM 1645 OH TYR A 106 85.584 -13.700 -0.549 1.00 0.00 O ATOM 0 H TYR A 106 88.041 -7.629 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 106 88.373 -10.584 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.872 -8.934 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.825 -10.232 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.906 -12.539 -4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.338 -9.456 -2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.572 -14.200 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 106 85.008 -11.122 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 106 86.257 -14.408 -0.633 1.00 0.00 H new ATOM 1655 N ALA A 107 89.223 -9.219 -6.903 1.00 0.00 N ATOM 1656 CA ALA A 107 89.452 -8.950 -8.350 1.00 0.00 C ATOM 1657 C ALA A 107 89.584 -10.276 -9.102 1.00 0.00 C ATOM 1658 O ALA A 107 90.267 -11.185 -8.670 1.00 0.00 O ATOM 1659 CB ALA A 107 90.729 -8.132 -8.535 1.00 0.00 C ATOM 0 H ALA A 107 90.062 -9.258 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 107 88.606 -8.387 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 107 90.888 -7.940 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 107 90.634 -7.184 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 107 91.578 -8.687 -8.136 1.00 0.00 H new