USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= 0.755 K(o=1.8,f=-6!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0) USER MOD Set 2.1: A 18 THR OG1 : rot 128:sc= 0.0173 USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0.0572 X(o=0.075,f=-0.41) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0597 (180deg=-0.395) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.24 (180deg=0.429) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0507 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 7 ASN : amide:sc= -0.0899 X(o=-0.09,f=-0.051) USER MOD Single : A 9 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.021) USER MOD Single : A 34 SER OG : rot 28:sc= 0.109 USER MOD Single : A 35 SER OG : rot 160:sc= 1.31 USER MOD Single : A 37 MET CE :methyl -170:sc= -0.656 (180deg=-1.14) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 46 SER OG : rot -113:sc= 0.244 USER MOD Single : A 47 SER OG : rot -88:sc= 1.2 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= 1.89 (180deg=0.0596) USER MOD Single : A 60 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.00054) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -65:sc= 1.07 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00423) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 76 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.12) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.662 K(o=0.66,f=-0.6) USER MOD Single : A 82 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.98) USER MOD Single : A 83 ASN : amide:sc= -0.496 K(o=-0.5,f=-9.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.821 -3.079 -1.526 1.00 0.00 N ATOM 2 CA MET A 1 -13.985 -4.232 -1.929 1.00 0.00 C ATOM 3 C MET A 1 -13.235 -3.927 -3.217 1.00 0.00 C ATOM 4 O MET A 1 -13.785 -3.322 -4.137 1.00 0.00 O ATOM 5 CB MET A 1 -14.853 -5.478 -2.126 1.00 0.00 C ATOM 6 CG MET A 1 -14.077 -6.680 -2.646 1.00 0.00 C ATOM 7 SD MET A 1 -15.131 -8.101 -2.994 1.00 0.00 S ATOM 8 CE MET A 1 -15.740 -8.482 -1.351 1.00 0.00 C ATOM 0 H1 MET A 1 -15.552 -3.397 -0.858 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.224 -2.360 -1.070 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.276 -2.669 -2.367 1.00 0.00 H new ATOM 0 HA MET A 1 -13.263 -4.419 -1.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.320 -5.740 -1.177 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.657 -5.245 -2.824 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.546 -6.397 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.323 -6.965 -1.912 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.183 -9.478 -1.349 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.914 -8.451 -0.640 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.494 -7.749 -1.063 1.00 0.00 H new ATOM 20 N LEU A 2 -11.982 -4.352 -3.285 1.00 0.00 N ATOM 21 CA LEU A 2 -11.202 -4.215 -4.487 1.00 0.00 C ATOM 22 C LEU A 2 -10.801 -5.592 -4.990 1.00 0.00 C ATOM 23 O LEU A 2 -10.130 -6.363 -4.300 1.00 0.00 O ATOM 24 CB LEU A 2 -9.987 -3.304 -4.255 1.00 0.00 C ATOM 25 CG LEU A 2 -9.051 -3.686 -3.105 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.842 -4.450 -3.625 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.607 -2.442 -2.354 1.00 0.00 C ATOM 0 H LEU A 2 -11.489 -4.797 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.805 -3.735 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.402 -3.276 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.350 -2.292 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.596 -4.335 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.191 -4.711 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.174 -5.360 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.294 -3.827 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.942 -2.727 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.080 -1.774 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.480 -1.931 -1.948 1.00 0.00 H new ATOM 39 N VAL A 3 -11.297 -5.919 -6.165 1.00 0.00 N ATOM 40 CA VAL A 3 -11.022 -7.200 -6.797 1.00 0.00 C ATOM 41 C VAL A 3 -9.674 -7.176 -7.509 1.00 0.00 C ATOM 42 O VAL A 3 -9.501 -6.478 -8.510 1.00 0.00 O ATOM 43 CB VAL A 3 -12.134 -7.566 -7.808 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.868 -8.918 -8.453 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.495 -7.559 -7.133 1.00 0.00 C ATOM 0 H VAL A 3 -11.903 -5.307 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.995 -7.955 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.132 -6.811 -8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.666 -9.148 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.915 -8.888 -8.981 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.832 -9.688 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.264 -7.819 -7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.503 -8.287 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.697 -6.566 -6.731 1.00 0.00 H new ATOM 55 N ILE A 4 -8.717 -7.926 -6.977 1.00 0.00 N ATOM 56 CA ILE A 4 -7.406 -8.046 -7.602 1.00 0.00 C ATOM 57 C ILE A 4 -7.440 -9.148 -8.646 1.00 0.00 C ATOM 58 O ILE A 4 -6.959 -8.983 -9.770 1.00 0.00 O ATOM 59 CB ILE A 4 -6.303 -8.364 -6.569 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.228 -7.265 -5.506 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.956 -8.533 -7.263 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.178 -7.519 -4.446 1.00 0.00 C ATOM 0 H ILE A 4 -8.824 -8.460 -6.115 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.172 -7.087 -8.065 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.555 -9.302 -6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.017 -6.313 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.202 -7.169 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.190 -8.757 -6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.016 -9.352 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.698 -7.612 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.182 -6.700 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.399 -8.454 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.196 -7.586 -4.915 1.00 0.00 H new ATOM 74 N SER A 5 -8.033 -10.266 -8.267 1.00 0.00 N ATOM 75 CA SER A 5 -8.157 -11.413 -9.142 1.00 0.00 C ATOM 76 C SER A 5 -9.471 -12.124 -8.837 1.00 0.00 C ATOM 77 O SER A 5 -10.226 -11.678 -7.970 1.00 0.00 O ATOM 78 CB SER A 5 -6.967 -12.360 -8.948 1.00 0.00 C ATOM 79 OG SER A 5 -6.868 -13.282 -10.017 1.00 0.00 O ATOM 0 H SER A 5 -8.442 -10.402 -7.342 1.00 0.00 H new ATOM 0 HA SER A 5 -8.157 -11.087 -10.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.046 -11.781 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.078 -12.900 -8.008 1.00 0.00 H new ATOM 0 HG SER A 5 -6.100 -13.873 -9.869 1.00 0.00 H new ATOM 85 N ASN A 6 -9.742 -13.221 -9.523 1.00 0.00 N ATOM 86 CA ASN A 6 -11.004 -13.926 -9.345 1.00 0.00 C ATOM 87 C ASN A 6 -11.062 -14.601 -7.975 1.00 0.00 C ATOM 88 O ASN A 6 -12.122 -14.696 -7.357 1.00 0.00 O ATOM 89 CB ASN A 6 -11.200 -14.967 -10.451 1.00 0.00 C ATOM 90 CG ASN A 6 -12.593 -15.569 -10.435 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.558 -14.915 -10.031 1.00 0.00 O ATOM 92 ND2 ASN A 6 -12.718 -16.810 -10.878 1.00 0.00 N ATOM 0 H ASN A 6 -9.111 -13.642 -10.205 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.809 -13.194 -9.405 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.018 -14.503 -11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.462 -15.761 -10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -13.635 -17.256 -10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.897 -17.320 -11.204 1.00 0.00 H new ATOM 99 N ASN A 7 -9.914 -15.048 -7.493 1.00 0.00 N ATOM 100 CA ASN A 7 -9.849 -15.755 -6.220 1.00 0.00 C ATOM 101 C ASN A 7 -9.387 -14.821 -5.104 1.00 0.00 C ATOM 102 O ASN A 7 -9.291 -15.215 -3.944 1.00 0.00 O ATOM 103 CB ASN A 7 -8.911 -16.960 -6.351 1.00 0.00 C ATOM 104 CG ASN A 7 -9.035 -17.955 -5.210 1.00 0.00 C ATOM 105 OD1 ASN A 7 -9.900 -18.835 -5.233 1.00 0.00 O ATOM 106 ND2 ASN A 7 -8.150 -17.854 -4.232 1.00 0.00 N ATOM 0 H ASN A 7 -9.015 -14.935 -7.961 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.846 -16.111 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.119 -17.471 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.882 -16.605 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.166 -18.519 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.451 -17.111 -4.251 1.00 0.00 H new ATOM 113 N VAL A 8 -9.135 -13.565 -5.451 1.00 0.00 N ATOM 114 CA VAL A 8 -8.611 -12.608 -4.487 1.00 0.00 C ATOM 115 C VAL A 8 -9.442 -11.330 -4.480 1.00 0.00 C ATOM 116 O VAL A 8 -9.513 -10.607 -5.476 1.00 0.00 O ATOM 117 CB VAL A 8 -7.136 -12.246 -4.782 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.593 -11.279 -3.737 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.273 -13.497 -4.852 1.00 0.00 C ATOM 0 H VAL A 8 -9.284 -13.188 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.667 -13.086 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.101 -11.753 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.555 -11.040 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.186 -10.364 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.650 -11.740 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.241 -13.216 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.320 -14.025 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.639 -14.148 -5.646 1.00 0.00 H new ATOM 129 N HIS A 9 -10.047 -11.047 -3.336 1.00 0.00 N ATOM 130 CA HIS A 9 -10.824 -9.827 -3.140 1.00 0.00 C ATOM 131 C HIS A 9 -10.436 -9.213 -1.801 1.00 0.00 C ATOM 132 O HIS A 9 -10.535 -9.877 -0.771 1.00 0.00 O ATOM 133 CB HIS A 9 -12.334 -10.109 -3.128 1.00 0.00 C ATOM 134 CG HIS A 9 -12.810 -11.107 -4.143 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.336 -12.328 -3.791 1.00 0.00 N ATOM 136 CD2 HIS A 9 -12.847 -11.061 -5.499 1.00 0.00 C ATOM 137 CE1 HIS A 9 -13.674 -12.992 -4.879 1.00 0.00 C ATOM 138 NE2 HIS A 9 -13.390 -12.247 -5.929 1.00 0.00 N ATOM 0 H HIS A 9 -10.015 -11.654 -2.517 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.609 -9.150 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.612 -10.464 -2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.863 -9.170 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.512 -10.245 -6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.110 -13.980 -4.905 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.548 -12.509 -6.902 1.00 0.00 H new ATOM 147 N LEU A 10 -9.997 -7.967 -1.808 1.00 0.00 N ATOM 148 CA LEU A 10 -9.565 -7.322 -0.573 1.00 0.00 C ATOM 149 C LEU A 10 -10.617 -6.360 -0.045 1.00 0.00 C ATOM 150 O LEU A 10 -11.198 -5.581 -0.806 1.00 0.00 O ATOM 151 CB LEU A 10 -8.243 -6.582 -0.771 1.00 0.00 C ATOM 152 CG LEU A 10 -7.019 -7.473 -0.967 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.761 -6.626 -1.036 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.921 -8.489 0.158 1.00 0.00 C ATOM 0 H LEU A 10 -9.929 -7.384 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.421 -8.113 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.338 -5.928 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.071 -5.942 0.094 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.123 -8.013 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.894 -7.272 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.835 -5.932 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.649 -6.065 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.044 -9.118 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.833 -7.969 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.816 -9.111 0.165 1.00 0.00 H new ATOM 166 N PRO A 11 -10.891 -6.425 1.266 1.00 0.00 N ATOM 167 CA PRO A 11 -11.791 -5.499 1.945 1.00 0.00 C ATOM 168 C PRO A 11 -11.103 -4.175 2.274 1.00 0.00 C ATOM 169 O PRO A 11 -9.945 -4.154 2.697 1.00 0.00 O ATOM 170 CB PRO A 11 -12.169 -6.232 3.244 1.00 0.00 C ATOM 171 CG PRO A 11 -11.480 -7.559 3.191 1.00 0.00 C ATOM 172 CD PRO A 11 -10.360 -7.419 2.202 1.00 0.00 C ATOM 0 HA PRO A 11 -12.650 -5.243 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.852 -5.663 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.249 -6.357 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.098 -7.837 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.172 -8.343 2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.439 -7.080 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.134 -8.364 1.707 1.00 0.00 H new ATOM 180 N ASP A 12 -11.835 -3.082 2.083 1.00 0.00 N ATOM 181 CA ASP A 12 -11.342 -1.735 2.351 1.00 0.00 C ATOM 182 C ASP A 12 -10.801 -1.606 3.770 1.00 0.00 C ATOM 183 O ASP A 12 -9.782 -0.958 4.004 1.00 0.00 O ATOM 184 CB ASP A 12 -12.487 -0.742 2.166 1.00 0.00 C ATOM 185 CG ASP A 12 -13.022 -0.701 0.750 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.455 -1.757 0.243 1.00 0.00 O ATOM 187 OD2 ASP A 12 -13.050 0.395 0.144 1.00 0.00 O ATOM 0 H ASP A 12 -12.794 -3.106 1.735 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.529 -1.526 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.298 -1.003 2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.144 0.254 2.446 1.00 0.00 H new ATOM 192 N ALA A 13 -11.499 -2.235 4.707 1.00 0.00 N ATOM 193 CA ALA A 13 -11.171 -2.155 6.131 1.00 0.00 C ATOM 194 C ALA A 13 -9.745 -2.608 6.446 1.00 0.00 C ATOM 195 O ALA A 13 -9.148 -2.145 7.418 1.00 0.00 O ATOM 196 CB ALA A 13 -12.159 -2.984 6.937 1.00 0.00 C ATOM 0 H ALA A 13 -12.311 -2.817 4.504 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.240 -1.103 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.909 -2.920 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.168 -2.603 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.109 -4.024 6.615 1.00 0.00 H new ATOM 202 N GLU A 14 -9.194 -3.507 5.638 1.00 0.00 N ATOM 203 CA GLU A 14 -7.879 -4.072 5.933 1.00 0.00 C ATOM 204 C GLU A 14 -6.767 -3.188 5.379 1.00 0.00 C ATOM 205 O GLU A 14 -5.580 -3.489 5.520 1.00 0.00 O ATOM 206 CB GLU A 14 -7.767 -5.495 5.380 1.00 0.00 C ATOM 207 CG GLU A 14 -8.924 -6.387 5.796 1.00 0.00 C ATOM 208 CD GLU A 14 -8.628 -7.862 5.623 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.106 -8.256 4.562 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.935 -8.641 6.552 1.00 0.00 O ATOM 0 H GLU A 14 -9.629 -3.858 4.785 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.765 -4.115 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.721 -5.453 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.832 -5.939 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.169 -6.192 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.805 -6.128 5.208 1.00 0.00 H new ATOM 217 N ILE A 15 -7.165 -2.093 4.763 1.00 0.00 N ATOM 218 CA ILE A 15 -6.224 -1.120 4.238 1.00 0.00 C ATOM 219 C ILE A 15 -6.437 0.224 4.922 1.00 0.00 C ATOM 220 O ILE A 15 -7.445 0.892 4.699 1.00 0.00 O ATOM 221 CB ILE A 15 -6.370 -0.947 2.710 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.246 -2.299 2.008 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.317 0.023 2.184 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.419 -2.226 0.507 1.00 0.00 C ATOM 0 H ILE A 15 -8.145 -1.852 4.612 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.219 -1.489 4.441 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.357 -0.536 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.268 -2.725 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.992 -2.980 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.432 0.135 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.443 0.993 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.323 -0.365 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.318 -3.224 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.407 -1.830 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.657 -1.571 0.084 1.00 0.00 H new ATOM 236 N GLU A 16 -5.499 0.605 5.773 1.00 0.00 N ATOM 237 CA GLU A 16 -5.612 1.845 6.523 1.00 0.00 C ATOM 238 C GLU A 16 -5.166 3.030 5.678 1.00 0.00 C ATOM 239 O GLU A 16 -3.970 3.227 5.432 1.00 0.00 O ATOM 240 CB GLU A 16 -4.790 1.765 7.812 1.00 0.00 C ATOM 241 CG GLU A 16 -4.709 3.076 8.584 1.00 0.00 C ATOM 242 CD GLU A 16 -6.063 3.597 9.021 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.628 3.052 9.993 1.00 0.00 O ATOM 244 OE2 GLU A 16 -6.558 4.568 8.410 1.00 0.00 O ATOM 0 H GLU A 16 -4.650 0.073 5.962 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.659 1.991 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.223 1.002 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.780 1.439 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.081 2.934 9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.222 3.827 7.962 1.00 0.00 H new ATOM 251 N LEU A 17 -6.139 3.801 5.220 1.00 0.00 N ATOM 252 CA LEU A 17 -5.867 5.006 4.466 1.00 0.00 C ATOM 253 C LEU A 17 -5.909 6.209 5.397 1.00 0.00 C ATOM 254 O LEU A 17 -6.974 6.603 5.869 1.00 0.00 O ATOM 255 CB LEU A 17 -6.899 5.175 3.347 1.00 0.00 C ATOM 256 CG LEU A 17 -6.999 4.007 2.367 1.00 0.00 C ATOM 257 CD1 LEU A 17 -8.128 4.238 1.376 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.683 3.807 1.632 1.00 0.00 C ATOM 0 H LEU A 17 -7.131 3.608 5.361 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.876 4.930 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.878 5.333 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.658 6.078 2.786 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.216 3.103 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.184 3.396 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.071 4.330 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.939 5.154 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.777 2.970 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.435 4.712 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.893 3.595 2.352 1.00 0.00 H new ATOM 270 N THR A 18 -4.752 6.790 5.664 1.00 0.00 N ATOM 271 CA THR A 18 -4.674 7.943 6.547 1.00 0.00 C ATOM 272 C THR A 18 -4.171 9.157 5.781 1.00 0.00 C ATOM 273 O THR A 18 -3.452 9.015 4.790 1.00 0.00 O ATOM 274 CB THR A 18 -3.728 7.670 7.723 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.822 6.296 8.120 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.057 8.562 8.913 1.00 0.00 C ATOM 0 H THR A 18 -3.856 6.484 5.284 1.00 0.00 H new ATOM 0 HA THR A 18 -5.675 8.136 6.932 1.00 0.00 H new ATOM 0 HB THR A 18 -2.713 7.890 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.926 5.901 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.370 8.346 9.731 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.957 9.608 8.622 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.080 8.372 9.238 1.00 0.00 H new ATOM 284 N ALA A 19 -4.535 10.339 6.245 1.00 0.00 N ATOM 285 CA ALA A 19 -4.119 11.576 5.606 1.00 0.00 C ATOM 286 C ALA A 19 -3.262 12.396 6.557 1.00 0.00 C ATOM 287 O ALA A 19 -3.669 12.676 7.686 1.00 0.00 O ATOM 288 CB ALA A 19 -5.330 12.376 5.158 1.00 0.00 C ATOM 0 H ALA A 19 -5.123 10.469 7.069 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.525 11.331 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.000 13.299 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.912 11.789 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.948 12.615 6.023 1.00 0.00 H new ATOM 294 N ILE A 20 -2.076 12.766 6.101 1.00 0.00 N ATOM 295 CA ILE A 20 -1.142 13.516 6.927 1.00 0.00 C ATOM 296 C ILE A 20 -1.362 15.011 6.751 1.00 0.00 C ATOM 297 O ILE A 20 -1.140 15.561 5.668 1.00 0.00 O ATOM 298 CB ILE A 20 0.324 13.167 6.581 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.547 11.655 6.686 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.282 13.912 7.504 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.929 11.208 6.259 1.00 0.00 C ATOM 0 H ILE A 20 -1.736 12.559 5.162 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.327 13.240 7.965 1.00 0.00 H new ATOM 0 HB ILE A 20 0.523 13.478 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.377 11.343 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.195 11.145 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.309 13.655 7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.137 14.986 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.085 13.629 8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.009 10.126 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.096 11.487 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.678 11.689 6.889 1.00 0.00 H new ATOM 313 N ARG A 21 -1.822 15.664 7.809 1.00 0.00 N ATOM 314 CA ARG A 21 -2.051 17.100 7.777 1.00 0.00 C ATOM 315 C ARG A 21 -0.737 17.857 7.885 1.00 0.00 C ATOM 316 O ARG A 21 0.253 17.338 8.411 1.00 0.00 O ATOM 317 CB ARG A 21 -3.000 17.512 8.899 1.00 0.00 C ATOM 318 CG ARG A 21 -4.346 16.813 8.821 1.00 0.00 C ATOM 319 CD ARG A 21 -5.266 17.228 9.954 1.00 0.00 C ATOM 320 NE ARG A 21 -6.509 16.459 9.940 1.00 0.00 N ATOM 321 CZ ARG A 21 -7.670 16.907 10.411 1.00 0.00 C ATOM 322 NH1 ARG A 21 -7.751 18.118 10.952 1.00 0.00 N ATOM 323 NH2 ARG A 21 -8.754 16.136 10.343 1.00 0.00 N ATOM 0 H ARG A 21 -2.044 15.221 8.701 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.512 17.353 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.536 17.290 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.154 18.590 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.819 17.043 7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.197 15.734 8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.758 17.085 10.908 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.493 18.291 9.870 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.485 15.519 9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.921 18.708 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.643 18.457 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.693 15.205 9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.645 16.477 10.703 1.00 0.00 H new ATOM 494 N SER A 34 -2.021 18.940 3.115 1.00 0.00 N ATOM 495 CA SER A 34 -1.190 18.426 2.052 1.00 0.00 C ATOM 496 C SER A 34 -1.769 17.137 1.467 1.00 0.00 C ATOM 497 O SER A 34 -2.669 16.523 2.043 1.00 0.00 O ATOM 498 CB SER A 34 0.208 18.173 2.600 1.00 0.00 C ATOM 499 OG SER A 34 0.774 19.362 3.121 1.00 0.00 O ATOM 0 HA SER A 34 -1.149 19.161 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.164 17.415 3.382 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.846 17.779 1.809 1.00 0.00 H new ATOM 0 HG SER A 34 0.059 19.956 3.431 1.00 0.00 H new ATOM 505 N SER A 35 -1.236 16.730 0.325 1.00 0.00 N ATOM 506 CA SER A 35 -1.680 15.524 -0.349 1.00 0.00 C ATOM 507 C SER A 35 -0.988 14.289 0.221 1.00 0.00 C ATOM 508 O SER A 35 -1.162 13.180 -0.287 1.00 0.00 O ATOM 509 CB SER A 35 -1.392 15.652 -1.842 1.00 0.00 C ATOM 510 OG SER A 35 -0.087 16.172 -2.059 1.00 0.00 O ATOM 0 H SER A 35 -0.486 17.226 -0.157 1.00 0.00 H new ATOM 0 HA SER A 35 -2.752 15.405 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.484 14.677 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.131 16.306 -2.305 1.00 0.00 H new ATOM 0 HG SER A 35 0.207 15.949 -2.967 1.00 0.00 H new ATOM 516 N ALA A 36 -0.213 14.498 1.278 1.00 0.00 N ATOM 517 CA ALA A 36 0.554 13.437 1.906 1.00 0.00 C ATOM 518 C ALA A 36 -0.351 12.389 2.537 1.00 0.00 C ATOM 519 O ALA A 36 -0.979 12.620 3.569 1.00 0.00 O ATOM 520 CB ALA A 36 1.504 14.017 2.946 1.00 0.00 C ATOM 0 H ALA A 36 -0.101 15.409 1.722 1.00 0.00 H new ATOM 0 HA ALA A 36 1.137 12.943 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.073 13.211 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.189 14.714 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.931 14.542 3.710 1.00 0.00 H new ATOM 526 N MET A 37 -0.428 11.242 1.895 1.00 0.00 N ATOM 527 CA MET A 37 -1.199 10.130 2.406 1.00 0.00 C ATOM 528 C MET A 37 -0.297 9.163 3.147 1.00 0.00 C ATOM 529 O MET A 37 0.849 8.930 2.757 1.00 0.00 O ATOM 530 CB MET A 37 -1.897 9.387 1.271 1.00 0.00 C ATOM 531 CG MET A 37 -2.928 10.212 0.521 1.00 0.00 C ATOM 532 SD MET A 37 -4.388 10.565 1.518 1.00 0.00 S ATOM 533 CE MET A 37 -4.966 8.904 1.874 1.00 0.00 C ATOM 0 H MET A 37 0.040 11.055 1.008 1.00 0.00 H new ATOM 0 HA MET A 37 -1.950 10.529 3.088 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.144 9.039 0.564 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.385 8.502 1.679 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.475 11.150 0.201 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.228 9.679 -0.381 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.955 8.953 2.330 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.021 8.332 0.948 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.274 8.417 2.561 1.00 0.00 H new ATOM 543 N HIS A 38 -0.829 8.603 4.208 1.00 0.00 N ATOM 544 CA HIS A 38 -0.146 7.580 4.971 1.00 0.00 C ATOM 545 C HIS A 38 -0.823 6.252 4.725 1.00 0.00 C ATOM 546 O HIS A 38 -2.010 6.077 5.007 1.00 0.00 O ATOM 547 CB HIS A 38 -0.143 7.914 6.460 1.00 0.00 C ATOM 548 CG HIS A 38 0.337 6.794 7.336 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.515 5.883 7.924 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.587 6.433 7.713 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.190 5.017 8.626 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.469 5.325 8.515 1.00 0.00 N ATOM 0 H HIS A 38 -1.752 8.844 4.569 1.00 0.00 H new ATOM 0 HA HIS A 38 0.894 7.527 4.647 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.489 8.787 6.625 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.153 8.190 6.762 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.507 6.926 7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.212 4.193 9.197 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.242 4.823 8.953 1.00 0.00 H new ATOM 561 N LEU A 39 -0.066 5.329 4.192 1.00 0.00 N ATOM 562 CA LEU A 39 -0.596 4.039 3.823 1.00 0.00 C ATOM 563 C LEU A 39 -0.109 2.968 4.779 1.00 0.00 C ATOM 564 O LEU A 39 1.096 2.786 4.957 1.00 0.00 O ATOM 565 CB LEU A 39 -0.189 3.671 2.390 1.00 0.00 C ATOM 566 CG LEU A 39 -0.767 4.549 1.271 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.252 4.800 1.492 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.008 5.863 1.156 1.00 0.00 C ATOM 0 H LEU A 39 0.929 5.447 4.002 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.683 4.098 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.898 3.705 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.488 2.639 2.204 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.649 4.011 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.639 5.424 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.784 3.849 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.397 5.307 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.440 6.464 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.079 6.408 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.039 5.660 0.933 1.00 0.00 H new ATOM 580 N ARG A 40 -1.046 2.288 5.414 1.00 0.00 N ATOM 581 CA ARG A 40 -0.731 1.108 6.196 1.00 0.00 C ATOM 582 C ARG A 40 -1.500 -0.085 5.653 1.00 0.00 C ATOM 583 O ARG A 40 -2.710 -0.208 5.858 1.00 0.00 O ATOM 584 CB ARG A 40 -1.061 1.298 7.682 1.00 0.00 C ATOM 585 CG ARG A 40 -1.033 -0.011 8.457 1.00 0.00 C ATOM 586 CD ARG A 40 -1.533 0.137 9.882 1.00 0.00 C ATOM 587 NE ARG A 40 -1.700 -1.174 10.515 1.00 0.00 N ATOM 588 CZ ARG A 40 -1.232 -1.498 11.721 1.00 0.00 C ATOM 589 NH1 ARG A 40 -0.575 -0.603 12.451 1.00 0.00 N ATOM 590 NH2 ARG A 40 -1.409 -2.727 12.190 1.00 0.00 N ATOM 0 H ARG A 40 -2.036 2.535 5.403 1.00 0.00 H new ATOM 0 HA ARG A 40 0.342 0.934 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.347 1.993 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.048 1.752 7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.645 -0.749 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.014 -0.396 8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.829 0.737 10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.483 0.671 9.885 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.210 -1.889 9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.426 0.339 12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.220 -0.858 13.373 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.902 -3.421 11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.052 -2.977 13.112 1.00 0.00 H new ATOM 604 N PHE A 41 -0.805 -0.938 4.929 1.00 0.00 N ATOM 605 CA PHE A 41 -1.387 -2.180 4.470 1.00 0.00 C ATOM 606 C PHE A 41 -0.986 -3.287 5.426 1.00 0.00 C ATOM 607 O PHE A 41 0.203 -3.567 5.604 1.00 0.00 O ATOM 608 CB PHE A 41 -0.931 -2.495 3.043 1.00 0.00 C ATOM 609 CG PHE A 41 -1.533 -3.748 2.478 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.869 -3.784 2.107 1.00 0.00 C ATOM 611 CD2 PHE A 41 -0.766 -4.889 2.311 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.425 -4.934 1.587 1.00 0.00 C ATOM 613 CE2 PHE A 41 -1.317 -6.042 1.791 1.00 0.00 C ATOM 614 CZ PHE A 41 -2.650 -6.064 1.427 1.00 0.00 C ATOM 0 H PHE A 41 0.164 -0.793 4.646 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.473 -2.093 4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.187 -1.656 2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.155 -2.587 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.481 -2.902 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.277 -4.876 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.467 -4.950 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.708 -6.925 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.084 -6.964 1.018 1.00 0.00 H new ATOM 624 N ASP A 42 -1.967 -3.886 6.069 1.00 0.00 N ATOM 625 CA ASP A 42 -1.690 -4.898 7.069 1.00 0.00 C ATOM 626 C ASP A 42 -1.464 -6.238 6.390 1.00 0.00 C ATOM 627 O ASP A 42 -2.270 -6.677 5.577 1.00 0.00 O ATOM 628 CB ASP A 42 -2.837 -4.997 8.072 1.00 0.00 C ATOM 629 CG ASP A 42 -2.365 -5.436 9.444 1.00 0.00 C ATOM 630 OD1 ASP A 42 -1.867 -6.571 9.577 1.00 0.00 O ATOM 631 OD2 ASP A 42 -2.495 -4.636 10.401 1.00 0.00 O ATOM 0 H ASP A 42 -2.957 -3.692 5.919 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.789 -4.616 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.331 -4.029 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.580 -5.704 7.702 1.00 0.00 H new ATOM 636 N ILE A 43 -0.352 -6.866 6.704 1.00 0.00 N ATOM 637 CA ILE A 43 -0.011 -8.153 6.127 1.00 0.00 C ATOM 638 C ILE A 43 -0.257 -9.256 7.151 1.00 0.00 C ATOM 639 O ILE A 43 -0.302 -10.436 6.818 1.00 0.00 O ATOM 640 CB ILE A 43 1.466 -8.175 5.668 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.743 -6.975 4.759 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.796 -9.473 4.942 1.00 0.00 C ATOM 643 CD1 ILE A 43 3.183 -6.854 4.327 1.00 0.00 C ATOM 0 H ILE A 43 0.339 -6.504 7.362 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.642 -8.322 5.254 1.00 0.00 H new ATOM 0 HB ILE A 43 2.102 -8.114 6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.113 -7.050 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.452 -6.063 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.841 -9.460 4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.627 -10.317 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.157 -9.572 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.298 -5.980 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.819 -6.746 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.474 -7.749 3.777 1.00 0.00 H new ATOM 655 N ASN A 44 -0.443 -8.854 8.398 1.00 0.00 N ATOM 656 CA ASN A 44 -0.658 -9.791 9.477 1.00 0.00 C ATOM 657 C ASN A 44 -2.140 -10.118 9.628 1.00 0.00 C ATOM 658 O ASN A 44 -2.547 -11.281 9.581 1.00 0.00 O ATOM 659 CB ASN A 44 -0.133 -9.192 10.780 1.00 0.00 C ATOM 660 CG ASN A 44 -0.056 -10.211 11.892 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.023 -10.451 12.616 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.111 -10.801 12.047 1.00 0.00 N ATOM 0 H ASN A 44 -0.448 -7.875 8.684 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.123 -10.713 9.248 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.857 -8.769 10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.782 -8.372 11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.241 -11.487 12.790 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.885 -10.572 11.424 1.00 0.00 H new ATOM 669 N ALA A 45 -2.940 -9.078 9.790 1.00 0.00 N ATOM 670 CA ALA A 45 -4.358 -9.240 10.086 1.00 0.00 C ATOM 671 C ALA A 45 -5.220 -9.124 8.832 1.00 0.00 C ATOM 672 O ALA A 45 -6.421 -8.871 8.924 1.00 0.00 O ATOM 673 CB ALA A 45 -4.789 -8.209 11.121 1.00 0.00 C ATOM 0 H ALA A 45 -2.633 -8.108 9.722 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.503 -10.243 10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.850 -8.334 11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.212 -8.348 12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.615 -7.206 10.730 1.00 0.00 H new ATOM 679 N SER A 46 -4.622 -9.321 7.668 1.00 0.00 N ATOM 680 CA SER A 46 -5.364 -9.252 6.419 1.00 0.00 C ATOM 681 C SER A 46 -5.900 -10.620 6.014 1.00 0.00 C ATOM 682 O SER A 46 -5.409 -11.656 6.474 1.00 0.00 O ATOM 683 CB SER A 46 -4.483 -8.678 5.311 1.00 0.00 C ATOM 684 OG SER A 46 -3.200 -9.276 5.320 1.00 0.00 O ATOM 0 H SER A 46 -3.629 -9.529 7.562 1.00 0.00 H new ATOM 0 HA SER A 46 -6.217 -8.591 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.957 -8.842 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.386 -7.600 5.440 1.00 0.00 H new ATOM 0 HG SER A 46 -2.528 -8.606 5.566 1.00 0.00 H new ATOM 690 N SER A 47 -6.902 -10.611 5.144 1.00 0.00 N ATOM 691 CA SER A 47 -7.551 -11.829 4.676 1.00 0.00 C ATOM 692 C SER A 47 -6.737 -12.517 3.580 1.00 0.00 C ATOM 693 O SER A 47 -7.185 -13.503 2.990 1.00 0.00 O ATOM 694 CB SER A 47 -8.953 -11.492 4.159 1.00 0.00 C ATOM 695 OG SER A 47 -8.911 -10.420 3.230 1.00 0.00 O ATOM 0 H SER A 47 -7.288 -9.757 4.742 1.00 0.00 H new ATOM 0 HA SER A 47 -7.623 -12.522 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.390 -12.371 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.599 -11.227 4.996 1.00 0.00 H new ATOM 0 HG SER A 47 -8.985 -9.569 3.709 1.00 0.00 H new ATOM 701 N LEU A 48 -5.544 -11.994 3.316 1.00 0.00 N ATOM 702 CA LEU A 48 -4.657 -12.564 2.311 1.00 0.00 C ATOM 703 C LEU A 48 -4.326 -14.015 2.635 1.00 0.00 C ATOM 704 O LEU A 48 -3.975 -14.332 3.768 1.00 0.00 O ATOM 705 CB LEU A 48 -3.364 -11.753 2.230 1.00 0.00 C ATOM 706 CG LEU A 48 -3.507 -10.351 1.643 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.201 -9.588 1.779 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.927 -10.430 0.183 1.00 0.00 C ATOM 0 H LEU A 48 -5.169 -11.171 3.788 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.171 -12.529 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.945 -11.668 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.644 -12.308 1.629 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.280 -9.818 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.317 -8.590 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.935 -9.507 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.412 -10.119 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.025 -9.423 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.173 -10.977 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.884 -10.946 0.107 1.00 0.00 H new ATOM 720 N PRO A 49 -4.455 -14.909 1.645 1.00 0.00 N ATOM 721 CA PRO A 49 -4.108 -16.325 1.796 1.00 0.00 C ATOM 722 C PRO A 49 -2.674 -16.522 2.293 1.00 0.00 C ATOM 723 O PRO A 49 -1.798 -15.698 2.018 1.00 0.00 O ATOM 724 CB PRO A 49 -4.267 -16.902 0.379 1.00 0.00 C ATOM 725 CG PRO A 49 -4.412 -15.726 -0.529 1.00 0.00 C ATOM 726 CD PRO A 49 -4.976 -14.615 0.305 1.00 0.00 C ATOM 0 HA PRO A 49 -4.740 -16.815 2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.401 -17.504 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.140 -17.552 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.449 -15.442 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.073 -15.959 -1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.648 -13.638 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.066 -14.611 0.288 1.00 0.00 H new ATOM 734 N PRO A 50 -2.420 -17.628 3.020 1.00 0.00 N ATOM 735 CA PRO A 50 -1.102 -17.934 3.596 1.00 0.00 C ATOM 736 C PRO A 50 0.032 -17.828 2.579 1.00 0.00 C ATOM 737 O PRO A 50 1.133 -17.385 2.904 1.00 0.00 O ATOM 738 CB PRO A 50 -1.253 -19.379 4.076 1.00 0.00 C ATOM 739 CG PRO A 50 -2.708 -19.528 4.358 1.00 0.00 C ATOM 740 CD PRO A 50 -3.415 -18.665 3.350 1.00 0.00 C ATOM 0 HA PRO A 50 -0.835 -17.229 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.922 -20.086 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.655 -19.566 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.019 -20.569 4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.943 -19.213 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.706 -19.236 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.325 -18.230 3.763 1.00 0.00 H new ATOM 748 N PHE A 51 -0.252 -18.231 1.345 1.00 0.00 N ATOM 749 CA PHE A 51 0.724 -18.151 0.264 1.00 0.00 C ATOM 750 C PHE A 51 1.207 -16.715 0.085 1.00 0.00 C ATOM 751 O PHE A 51 2.408 -16.451 0.033 1.00 0.00 O ATOM 752 CB PHE A 51 0.106 -18.662 -1.041 1.00 0.00 C ATOM 753 CG PHE A 51 1.051 -18.652 -2.208 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.020 -19.633 -2.342 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.962 -17.664 -3.176 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.885 -19.631 -3.418 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.824 -17.654 -4.255 1.00 0.00 C ATOM 758 CZ PHE A 51 2.787 -18.639 -4.377 1.00 0.00 C ATOM 0 H PHE A 51 -1.154 -18.618 1.068 1.00 0.00 H new ATOM 0 HA PHE A 51 1.579 -18.776 0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.254 -19.679 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.762 -18.050 -1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.100 -20.409 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.210 -16.894 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.636 -20.402 -3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.746 -16.878 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.462 -18.634 -5.220 1.00 0.00 H new ATOM 768 N TYR A 52 0.260 -15.793 0.016 1.00 0.00 N ATOM 769 CA TYR A 52 0.565 -14.391 -0.181 1.00 0.00 C ATOM 770 C TYR A 52 1.209 -13.791 1.065 1.00 0.00 C ATOM 771 O TYR A 52 2.115 -12.967 0.956 1.00 0.00 O ATOM 772 CB TYR A 52 -0.708 -13.634 -0.564 1.00 0.00 C ATOM 773 CG TYR A 52 -1.139 -13.865 -1.999 1.00 0.00 C ATOM 774 CD1 TYR A 52 -1.632 -15.097 -2.413 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.045 -12.849 -2.941 1.00 0.00 C ATOM 776 CE1 TYR A 52 -2.020 -15.309 -3.722 1.00 0.00 C ATOM 777 CE2 TYR A 52 -1.429 -13.054 -4.253 1.00 0.00 C ATOM 778 CZ TYR A 52 -1.918 -14.284 -4.638 1.00 0.00 C ATOM 779 OH TYR A 52 -2.298 -14.495 -5.946 1.00 0.00 O ATOM 0 H TYR A 52 -0.736 -15.997 0.095 1.00 0.00 H new ATOM 0 HA TYR A 52 1.284 -14.298 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.516 -13.936 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.548 -12.567 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.713 -15.903 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.666 -11.883 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.401 -16.273 -4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.346 -12.254 -4.974 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.165 -13.673 -6.462 1.00 0.00 H new ATOM 789 N LYS A 53 0.743 -14.218 2.241 1.00 0.00 N ATOM 790 CA LYS A 53 1.349 -13.807 3.508 1.00 0.00 C ATOM 791 C LYS A 53 2.859 -14.029 3.483 1.00 0.00 C ATOM 792 O LYS A 53 3.643 -13.098 3.682 1.00 0.00 O ATOM 793 CB LYS A 53 0.752 -14.603 4.674 1.00 0.00 C ATOM 794 CG LYS A 53 -0.748 -14.446 4.840 1.00 0.00 C ATOM 795 CD LYS A 53 -1.130 -13.006 5.135 1.00 0.00 C ATOM 796 CE LYS A 53 -2.011 -12.897 6.367 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.256 -13.696 6.254 1.00 0.00 N ATOM 0 H LYS A 53 -0.052 -14.849 2.341 1.00 0.00 H new ATOM 0 HA LYS A 53 1.141 -12.746 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.980 -15.659 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.241 -14.293 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.252 -14.778 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.094 -15.088 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.227 -12.413 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.653 -12.585 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.450 -13.229 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.269 -11.851 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.080 -13.072 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.291 -14.153 5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.270 -14.424 6.997 1.00 0.00 H new ATOM 811 N GLU A 54 3.251 -15.270 3.214 1.00 0.00 N ATOM 812 CA GLU A 54 4.655 -15.660 3.212 1.00 0.00 C ATOM 813 C GLU A 54 5.458 -14.872 2.185 1.00 0.00 C ATOM 814 O GLU A 54 6.534 -14.362 2.493 1.00 0.00 O ATOM 815 CB GLU A 54 4.789 -17.154 2.921 1.00 0.00 C ATOM 816 CG GLU A 54 4.159 -18.046 3.979 1.00 0.00 C ATOM 817 CD GLU A 54 4.681 -17.760 5.373 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.893 -17.956 5.613 1.00 0.00 O ATOM 819 OE2 GLU A 54 3.885 -17.331 6.230 1.00 0.00 O ATOM 0 H GLU A 54 2.608 -16.030 2.992 1.00 0.00 H new ATOM 0 HA GLU A 54 5.055 -15.439 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.328 -17.369 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.846 -17.404 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.078 -17.910 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.352 -19.090 3.730 1.00 0.00 H new ATOM 826 N ARG A 55 4.933 -14.779 0.967 1.00 0.00 N ATOM 827 CA ARG A 55 5.638 -14.115 -0.125 1.00 0.00 C ATOM 828 C ARG A 55 5.894 -12.641 0.179 1.00 0.00 C ATOM 829 O ARG A 55 6.971 -12.125 -0.108 1.00 0.00 O ATOM 830 CB ARG A 55 4.857 -14.253 -1.434 1.00 0.00 C ATOM 831 CG ARG A 55 4.683 -15.694 -1.889 1.00 0.00 C ATOM 832 CD ARG A 55 6.021 -16.392 -2.089 1.00 0.00 C ATOM 833 NE ARG A 55 6.752 -15.864 -3.238 1.00 0.00 N ATOM 834 CZ ARG A 55 7.970 -16.268 -3.602 1.00 0.00 C ATOM 835 NH1 ARG A 55 8.651 -17.134 -2.857 1.00 0.00 N ATOM 836 NH2 ARG A 55 8.519 -15.786 -4.700 1.00 0.00 N ATOM 0 H ARG A 55 4.020 -15.156 0.711 1.00 0.00 H new ATOM 0 HA ARG A 55 6.605 -14.607 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.874 -13.798 -1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.371 -13.693 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.096 -16.240 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.120 -15.715 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.627 -16.276 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.855 -17.460 -2.226 1.00 0.00 H new ATOM 0 HE ARG A 55 6.302 -15.140 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.243 -17.497 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.582 -17.435 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.012 -15.107 -5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.450 -16.093 -4.982 1.00 0.00 H new ATOM 850 N LEU A 56 4.909 -11.974 0.765 1.00 0.00 N ATOM 851 CA LEU A 56 5.050 -10.569 1.131 1.00 0.00 C ATOM 852 C LEU A 56 6.082 -10.405 2.238 1.00 0.00 C ATOM 853 O LEU A 56 6.931 -9.519 2.185 1.00 0.00 O ATOM 854 CB LEU A 56 3.709 -9.997 1.590 1.00 0.00 C ATOM 855 CG LEU A 56 2.648 -9.860 0.498 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.352 -9.326 1.085 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.140 -8.948 -0.615 1.00 0.00 C ATOM 0 H LEU A 56 4.004 -12.382 0.998 1.00 0.00 H new ATOM 0 HA LEU A 56 5.386 -10.023 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.313 -10.634 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.883 -9.015 2.029 1.00 0.00 H new ATOM 0 HG LEU A 56 2.459 -10.847 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.606 -9.234 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.989 -10.013 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.531 -8.348 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.371 -8.863 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.356 -7.961 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.046 -9.366 -1.054 1.00 0.00 H new ATOM 869 N LEU A 57 6.001 -11.268 3.239 1.00 0.00 N ATOM 870 CA LEU A 57 6.926 -11.245 4.351 1.00 0.00 C ATOM 871 C LEU A 57 8.354 -11.578 3.907 1.00 0.00 C ATOM 872 O LEU A 57 9.323 -11.126 4.515 1.00 0.00 O ATOM 873 CB LEU A 57 6.447 -12.230 5.414 1.00 0.00 C ATOM 874 CG LEU A 57 5.211 -11.784 6.198 1.00 0.00 C ATOM 875 CD1 LEU A 57 4.809 -12.849 7.205 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.470 -10.459 6.898 1.00 0.00 C ATOM 0 H LEU A 57 5.293 -12.000 3.299 1.00 0.00 H new ATOM 0 HA LEU A 57 6.950 -10.237 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.229 -13.183 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.261 -12.407 6.117 1.00 0.00 H new ATOM 0 HG LEU A 57 4.390 -11.645 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.928 -12.516 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.581 -13.777 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.629 -13.018 7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.579 -10.159 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.305 -10.570 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.711 -9.697 6.157 1.00 0.00 H new ATOM 888 N ALA A 58 8.474 -12.355 2.836 1.00 0.00 N ATOM 889 CA ALA A 58 9.774 -12.734 2.301 1.00 0.00 C ATOM 890 C ALA A 58 10.124 -11.895 1.076 1.00 0.00 C ATOM 891 O ALA A 58 10.994 -12.264 0.285 1.00 0.00 O ATOM 892 CB ALA A 58 9.789 -14.215 1.953 1.00 0.00 C ATOM 0 H ALA A 58 7.681 -12.736 2.320 1.00 0.00 H new ATOM 0 HA ALA A 58 10.527 -12.546 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.767 -14.485 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.588 -14.801 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.023 -14.421 1.206 1.00 0.00 H new ATOM 898 N LEU A 59 9.461 -10.752 0.934 1.00 0.00 N ATOM 899 CA LEU A 59 9.679 -9.892 -0.211 1.00 0.00 C ATOM 900 C LEU A 59 10.964 -9.091 -0.031 1.00 0.00 C ATOM 901 O LEU A 59 11.553 -9.073 1.050 1.00 0.00 O ATOM 902 CB LEU A 59 8.489 -8.949 -0.399 1.00 0.00 C ATOM 903 CG LEU A 59 8.346 -8.354 -1.796 1.00 0.00 C ATOM 904 CD1 LEU A 59 8.216 -9.454 -2.841 1.00 0.00 C ATOM 905 CD2 LEU A 59 7.149 -7.427 -1.850 1.00 0.00 C ATOM 0 H LEU A 59 8.770 -10.405 1.600 1.00 0.00 H new ATOM 0 HA LEU A 59 9.776 -10.513 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.575 -9.491 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.575 -8.133 0.319 1.00 0.00 H new ATOM 0 HG LEU A 59 9.245 -7.779 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.115 -9.006 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.104 -10.085 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.335 -10.059 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.058 -7.009 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.245 -7.985 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.282 -6.619 -1.130 1.00 0.00 H new ATOM 917 N ASN A 60 11.386 -8.428 -1.092 1.00 0.00 N ATOM 918 CA ASN A 60 12.622 -7.661 -1.074 1.00 0.00 C ATOM 919 C ASN A 60 12.349 -6.209 -0.710 1.00 0.00 C ATOM 920 O ASN A 60 13.225 -5.350 -0.802 1.00 0.00 O ATOM 921 CB ASN A 60 13.291 -7.755 -2.445 1.00 0.00 C ATOM 922 CG ASN A 60 14.783 -7.476 -2.406 1.00 0.00 C ATOM 923 OD1 ASN A 60 15.585 -8.378 -2.165 1.00 0.00 O ATOM 924 ND2 ASN A 60 15.173 -6.240 -2.665 1.00 0.00 N ATOM 0 H ASN A 60 10.889 -8.404 -1.983 1.00 0.00 H new ATOM 0 HA ASN A 60 13.290 -8.074 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.125 -8.751 -2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.814 -7.048 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.166 -6.009 -2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.480 -5.517 -2.861 1.00 0.00 H new ATOM 931 N ASP A 61 11.132 -5.937 -0.272 1.00 0.00 N ATOM 932 CA ASP A 61 10.746 -4.568 0.041 1.00 0.00 C ATOM 933 C ASP A 61 10.976 -4.289 1.519 1.00 0.00 C ATOM 934 O ASP A 61 10.384 -4.929 2.386 1.00 0.00 O ATOM 935 CB ASP A 61 9.288 -4.300 -0.332 1.00 0.00 C ATOM 936 CG ASP A 61 8.993 -2.814 -0.443 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.258 -2.074 0.526 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.509 -2.375 -1.509 1.00 0.00 O ATOM 0 H ASP A 61 10.401 -6.634 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 61 11.367 -3.896 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.061 -4.786 -1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.634 -4.744 0.418 1.00 0.00 H new ATOM 943 N SER A 62 11.842 -3.324 1.797 1.00 0.00 N ATOM 944 CA SER A 62 12.254 -3.016 3.161 1.00 0.00 C ATOM 945 C SER A 62 11.182 -2.242 3.927 1.00 0.00 C ATOM 946 O SER A 62 11.309 -2.021 5.133 1.00 0.00 O ATOM 947 CB SER A 62 13.555 -2.221 3.131 1.00 0.00 C ATOM 948 OG SER A 62 14.530 -2.905 2.367 1.00 0.00 O ATOM 0 H SER A 62 12.277 -2.735 1.087 1.00 0.00 H new ATOM 0 HA SER A 62 12.405 -3.959 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.376 -1.234 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.920 -2.069 4.147 1.00 0.00 H new ATOM 0 HG SER A 62 15.360 -2.384 2.354 1.00 0.00 H new ATOM 954 N ARG A 63 10.127 -1.829 3.232 1.00 0.00 N ATOM 955 CA ARG A 63 9.020 -1.131 3.874 1.00 0.00 C ATOM 956 C ARG A 63 8.110 -2.143 4.562 1.00 0.00 C ATOM 957 O ARG A 63 7.288 -1.791 5.409 1.00 0.00 O ATOM 958 CB ARG A 63 8.236 -0.325 2.840 1.00 0.00 C ATOM 959 CG ARG A 63 9.090 0.696 2.107 1.00 0.00 C ATOM 960 CD ARG A 63 8.436 1.140 0.810 1.00 0.00 C ATOM 961 NE ARG A 63 9.335 1.968 0.008 1.00 0.00 N ATOM 962 CZ ARG A 63 10.029 1.515 -1.038 1.00 0.00 C ATOM 963 NH1 ARG A 63 9.962 0.232 -1.387 1.00 0.00 N ATOM 964 NH2 ARG A 63 10.808 2.340 -1.729 1.00 0.00 N ATOM 0 H ARG A 63 10.016 -1.965 2.227 1.00 0.00 H new ATOM 0 HA ARG A 63 9.413 -0.441 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.794 -1.008 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.413 0.188 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.254 1.562 2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.069 0.267 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.137 0.264 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.528 1.700 1.033 1.00 0.00 H new ATOM 0 HE ARG A 63 9.438 2.950 0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.377 -0.412 -0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.495 -0.107 -2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.876 3.322 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.338 1.992 -2.528 1.00 0.00 H new ATOM 978 N ILE A 64 8.280 -3.405 4.187 1.00 0.00 N ATOM 979 CA ILE A 64 7.540 -4.498 4.789 1.00 0.00 C ATOM 980 C ILE A 64 8.247 -4.976 6.053 1.00 0.00 C ATOM 981 O ILE A 64 9.385 -5.437 6.006 1.00 0.00 O ATOM 982 CB ILE A 64 7.390 -5.675 3.795 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.525 -5.245 2.606 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.788 -6.894 4.487 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.371 -6.309 1.544 1.00 0.00 C ATOM 0 H ILE A 64 8.933 -3.695 3.459 1.00 0.00 H new ATOM 0 HA ILE A 64 6.546 -4.135 5.048 1.00 0.00 H new ATOM 0 HB ILE A 64 8.378 -5.952 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.537 -4.964 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.963 -4.355 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.692 -7.709 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.437 -7.206 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.804 -6.640 4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.746 -5.929 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.352 -6.574 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.904 -7.193 1.979 1.00 0.00 H new ATOM 997 N THR A 65 7.580 -4.832 7.186 1.00 0.00 N ATOM 998 CA THR A 65 8.146 -5.258 8.455 1.00 0.00 C ATOM 999 C THR A 65 7.668 -6.661 8.810 1.00 0.00 C ATOM 1000 O THR A 65 6.584 -7.078 8.392 1.00 0.00 O ATOM 1001 CB THR A 65 7.774 -4.285 9.590 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.349 -4.172 9.693 1.00 0.00 O ATOM 1003 CG2 THR A 65 8.374 -2.910 9.344 1.00 0.00 C ATOM 0 H THR A 65 6.648 -4.424 7.253 1.00 0.00 H new ATOM 0 HA THR A 65 9.230 -5.263 8.344 1.00 0.00 H new ATOM 0 HB THR A 65 8.178 -4.681 10.522 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.994 -3.760 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.097 -2.241 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.460 -2.991 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.996 -2.511 8.403 1.00 0.00 H new ATOM 1011 N SER A 66 8.471 -7.382 9.586 1.00 0.00 N ATOM 1012 CA SER A 66 8.126 -8.731 10.016 1.00 0.00 C ATOM 1013 C SER A 66 6.944 -8.707 10.986 1.00 0.00 C ATOM 1014 O SER A 66 6.360 -9.746 11.301 1.00 0.00 O ATOM 1015 CB SER A 66 9.340 -9.389 10.666 1.00 0.00 C ATOM 1016 OG SER A 66 10.441 -9.393 9.769 1.00 0.00 O ATOM 0 H SER A 66 9.372 -7.051 9.932 1.00 0.00 H new ATOM 0 HA SER A 66 7.830 -9.313 9.143 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.607 -8.854 11.577 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.096 -10.411 10.956 1.00 0.00 H new ATOM 0 HG SER A 66 11.213 -9.816 10.200 1.00 0.00 H new ATOM 1022 N ASP A 67 6.598 -7.507 11.443 1.00 0.00 N ATOM 1023 CA ASP A 67 5.426 -7.297 12.290 1.00 0.00 C ATOM 1024 C ASP A 67 4.150 -7.454 11.462 1.00 0.00 C ATOM 1025 O ASP A 67 3.047 -7.597 11.995 1.00 0.00 O ATOM 1026 CB ASP A 67 5.490 -5.903 12.926 1.00 0.00 C ATOM 1027 CG ASP A 67 4.339 -5.618 13.874 1.00 0.00 C ATOM 1028 OD1 ASP A 67 4.152 -6.386 14.841 1.00 0.00 O ATOM 1029 OD2 ASP A 67 3.624 -4.617 13.663 1.00 0.00 O ATOM 0 H ASP A 67 7.120 -6.655 11.238 1.00 0.00 H new ATOM 0 HA ASP A 67 5.415 -8.043 13.085 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.430 -5.802 13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.495 -5.152 12.136 1.00 0.00 H new ATOM 1034 N GLY A 68 4.313 -7.443 10.147 1.00 0.00 N ATOM 1035 CA GLY A 68 3.190 -7.624 9.256 1.00 0.00 C ATOM 1036 C GLY A 68 2.575 -6.311 8.835 1.00 0.00 C ATOM 1037 O GLY A 68 1.368 -6.224 8.622 1.00 0.00 O ATOM 0 H GLY A 68 5.210 -7.311 9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.516 -8.170 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.434 -8.236 9.748 1.00 0.00 H new ATOM 1041 N VAL A 69 3.400 -5.283 8.726 1.00 0.00 N ATOM 1042 CA VAL A 69 2.930 -3.968 8.316 1.00 0.00 C ATOM 1043 C VAL A 69 3.861 -3.370 7.271 1.00 0.00 C ATOM 1044 O VAL A 69 5.083 -3.420 7.416 1.00 0.00 O ATOM 1045 CB VAL A 69 2.840 -2.991 9.512 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.279 -1.647 9.076 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.001 -3.573 10.639 1.00 0.00 C ATOM 0 H VAL A 69 4.401 -5.333 8.916 1.00 0.00 H new ATOM 0 HA VAL A 69 1.933 -4.106 7.897 1.00 0.00 H new ATOM 0 HB VAL A 69 3.852 -2.838 9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.226 -0.979 9.935 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.928 -1.211 8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.280 -1.786 8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.957 -2.862 11.464 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.992 -3.771 10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.451 -4.503 10.985 1.00 0.00 H new ATOM 1057 N ILE A 70 3.280 -2.825 6.218 1.00 0.00 N ATOM 1058 CA ILE A 70 4.042 -2.076 5.235 1.00 0.00 C ATOM 1059 C ILE A 70 3.595 -0.617 5.248 1.00 0.00 C ATOM 1060 O ILE A 70 2.407 -0.318 5.112 1.00 0.00 O ATOM 1061 CB ILE A 70 3.922 -2.679 3.812 1.00 0.00 C ATOM 1062 CG1 ILE A 70 4.707 -1.830 2.800 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.465 -2.821 3.390 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.674 -2.375 1.384 1.00 0.00 C ATOM 0 H ILE A 70 2.281 -2.887 6.021 1.00 0.00 H new ATOM 0 HA ILE A 70 5.095 -2.136 5.508 1.00 0.00 H new ATOM 0 HB ILE A 70 4.356 -3.679 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.303 -0.818 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.744 -1.759 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.416 -3.247 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.946 -3.477 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.989 -1.841 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.250 -1.721 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.106 -3.376 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.642 -2.420 1.035 1.00 0.00 H new ATOM 1076 N VAL A 71 4.543 0.284 5.448 1.00 0.00 N ATOM 1077 CA VAL A 71 4.234 1.701 5.571 1.00 0.00 C ATOM 1078 C VAL A 71 4.703 2.462 4.340 1.00 0.00 C ATOM 1079 O VAL A 71 5.832 2.275 3.880 1.00 0.00 O ATOM 1080 CB VAL A 71 4.894 2.311 6.827 1.00 0.00 C ATOM 1081 CG1 VAL A 71 4.472 3.762 7.010 1.00 0.00 C ATOM 1082 CG2 VAL A 71 4.553 1.496 8.064 1.00 0.00 C ATOM 0 H VAL A 71 5.535 0.060 5.529 1.00 0.00 H new ATOM 0 HA VAL A 71 3.152 1.790 5.663 1.00 0.00 H new ATOM 0 HB VAL A 71 5.975 2.285 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.949 4.170 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.775 4.342 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.389 3.815 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.028 1.943 8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.472 1.484 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.914 0.475 7.938 1.00 0.00 H new ATOM 1092 N LEU A 72 3.836 3.309 3.797 1.00 0.00 N ATOM 1093 CA LEU A 72 4.182 4.098 2.627 1.00 0.00 C ATOM 1094 C LEU A 72 3.763 5.548 2.822 1.00 0.00 C ATOM 1095 O LEU A 72 2.926 5.858 3.674 1.00 0.00 O ATOM 1096 CB LEU A 72 3.518 3.553 1.350 1.00 0.00 C ATOM 1097 CG LEU A 72 3.774 2.076 1.020 1.00 0.00 C ATOM 1098 CD1 LEU A 72 2.817 1.170 1.784 1.00 0.00 C ATOM 1099 CD2 LEU A 72 3.652 1.840 -0.478 1.00 0.00 C ATOM 0 H LEU A 72 2.891 3.465 4.149 1.00 0.00 H new ATOM 0 HA LEU A 72 5.264 4.034 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.442 3.702 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.857 4.154 0.506 1.00 0.00 H new ATOM 0 HG LEU A 72 4.789 1.830 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.021 0.130 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.954 1.317 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.790 1.415 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.836 0.788 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.649 2.109 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.384 2.453 -1.004 1.00 0.00 H new ATOM 1111 N LYS A 73 4.343 6.424 2.017 1.00 0.00 N ATOM 1112 CA LYS A 73 3.979 7.828 2.006 1.00 0.00 C ATOM 1113 C LYS A 73 3.662 8.253 0.589 1.00 0.00 C ATOM 1114 O LYS A 73 4.529 8.251 -0.283 1.00 0.00 O ATOM 1115 CB LYS A 73 5.095 8.729 2.535 1.00 0.00 C ATOM 1116 CG LYS A 73 5.434 8.563 4.008 1.00 0.00 C ATOM 1117 CD LYS A 73 6.278 9.737 4.488 1.00 0.00 C ATOM 1118 CE LYS A 73 6.655 9.622 5.957 1.00 0.00 C ATOM 1119 NZ LYS A 73 7.647 8.543 6.192 1.00 0.00 N ATOM 0 H LYS A 73 5.079 6.180 1.354 1.00 0.00 H new ATOM 0 HA LYS A 73 3.114 7.938 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.996 8.542 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.812 9.767 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.518 8.500 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.975 7.629 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.185 9.797 3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.728 10.665 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.063 10.572 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.760 9.427 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.903 8.520 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.236 7.628 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.498 8.724 5.623 1.00 0.00 H new ATOM 1133 N ALA A 74 2.419 8.594 0.364 1.00 0.00 N ATOM 1134 CA ALA A 74 1.997 9.104 -0.926 1.00 0.00 C ATOM 1135 C ALA A 74 1.974 10.623 -0.888 1.00 0.00 C ATOM 1136 O ALA A 74 1.051 11.225 -0.351 1.00 0.00 O ATOM 1137 CB ALA A 74 0.633 8.546 -1.307 1.00 0.00 C ATOM 0 H ALA A 74 1.674 8.529 1.058 1.00 0.00 H new ATOM 0 HA ALA A 74 2.708 8.782 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.336 8.942 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.686 7.459 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.102 8.837 -0.557 1.00 0.00 H new ATOM 1143 N GLN A 75 3.002 11.235 -1.450 1.00 0.00 N ATOM 1144 CA GLN A 75 3.165 12.679 -1.385 1.00 0.00 C ATOM 1145 C GLN A 75 3.645 13.202 -2.738 1.00 0.00 C ATOM 1146 O GLN A 75 4.060 14.352 -2.873 1.00 0.00 O ATOM 1147 CB GLN A 75 4.170 13.023 -0.271 1.00 0.00 C ATOM 1148 CG GLN A 75 4.254 14.502 0.075 1.00 0.00 C ATOM 1149 CD GLN A 75 5.304 14.799 1.133 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.592 13.969 1.997 1.00 0.00 O ATOM 1151 NE2 GLN A 75 5.887 15.988 1.069 1.00 0.00 N ATOM 0 H GLN A 75 3.741 10.752 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 75 2.212 13.155 -1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.900 12.468 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.159 12.678 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.483 15.069 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.281 14.844 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.621 16.648 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.602 16.243 1.751 1.00 0.00 H new ATOM 1160 N GLN A 76 3.557 12.350 -3.746 1.00 0.00 N ATOM 1161 CA GLN A 76 4.085 12.672 -5.059 1.00 0.00 C ATOM 1162 C GLN A 76 3.117 13.552 -5.848 1.00 0.00 C ATOM 1163 O GLN A 76 3.536 14.498 -6.517 1.00 0.00 O ATOM 1164 CB GLN A 76 4.391 11.388 -5.835 1.00 0.00 C ATOM 1165 CG GLN A 76 5.226 11.619 -7.083 1.00 0.00 C ATOM 1166 CD GLN A 76 6.614 12.161 -6.771 1.00 0.00 C ATOM 1167 OE1 GLN A 76 7.187 12.911 -7.558 1.00 0.00 O ATOM 1168 NE2 GLN A 76 7.172 11.773 -5.633 1.00 0.00 N ATOM 0 H GLN A 76 3.124 11.429 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 76 5.009 13.233 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.916 10.693 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.452 10.912 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.322 10.681 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.706 12.318 -7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.666 11.149 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.107 12.098 -5.387 1.00 0.00 H new ATOM 1177 N TYR A 77 1.826 13.245 -5.776 1.00 0.00 N ATOM 1178 CA TYR A 77 0.833 13.978 -6.534 1.00 0.00 C ATOM 1179 C TYR A 77 0.303 15.177 -5.755 1.00 0.00 C ATOM 1180 O TYR A 77 0.592 15.339 -4.568 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.306 13.049 -6.925 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.389 12.797 -8.412 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.309 11.746 -8.995 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.162 13.609 -9.235 1.00 0.00 C ATOM 1185 CE1 TYR A 77 0.237 11.513 -10.354 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.238 13.380 -10.594 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.538 12.332 -11.148 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.614 12.097 -12.500 1.00 0.00 O ATOM 0 H TYR A 77 1.449 12.493 -5.199 1.00 0.00 H new ATOM 0 HA TYR A 77 1.310 14.362 -7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.182 12.097 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.248 13.477 -6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.916 11.102 -8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.712 14.432 -8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.785 10.693 -10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.843 14.019 -11.219 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.202 12.762 -12.915 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.480 16.004 -6.436 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.946 17.268 -5.885 1.00 0.00 C ATOM 1200 C ARG A 78 -2.220 17.074 -5.058 1.00 0.00 C ATOM 1201 O ARG A 78 -2.427 17.757 -4.059 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.181 18.257 -7.034 1.00 0.00 C ATOM 1203 CG ARG A 78 -1.269 19.719 -6.614 1.00 0.00 C ATOM 1204 CD ARG A 78 -2.692 20.137 -6.284 1.00 0.00 C ATOM 1205 NE ARG A 78 -2.790 21.576 -6.048 1.00 0.00 N ATOM 1206 CZ ARG A 78 -3.900 22.293 -6.224 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -5.014 21.710 -6.650 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -3.886 23.601 -5.979 1.00 0.00 N ATOM 0 H ARG A 78 -0.809 15.817 -7.383 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.186 17.668 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.373 18.150 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.104 17.985 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.633 19.884 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.884 20.349 -7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.353 19.856 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.034 19.599 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.954 22.064 -5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.023 20.709 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.860 22.263 -6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.029 24.051 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.733 24.154 -6.112 1.00 0.00 H new ATOM 1222 N THR A 79 -3.071 16.148 -5.474 1.00 0.00 N ATOM 1223 CA THR A 79 -4.285 15.854 -4.730 1.00 0.00 C ATOM 1224 C THR A 79 -4.168 14.524 -4.001 1.00 0.00 C ATOM 1225 O THR A 79 -3.437 13.629 -4.429 1.00 0.00 O ATOM 1226 CB THR A 79 -5.523 15.813 -5.647 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.298 14.899 -6.728 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.848 17.196 -6.190 1.00 0.00 C ATOM 0 H THR A 79 -2.944 15.590 -6.318 1.00 0.00 H new ATOM 0 HA THR A 79 -4.410 16.660 -4.007 1.00 0.00 H new ATOM 0 HB THR A 79 -6.375 15.473 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.089 14.876 -7.307 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.726 17.137 -6.834 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.051 17.874 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.001 17.569 -6.765 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.892 14.403 -2.897 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.905 13.165 -2.131 1.00 0.00 C ATOM 1238 C GLN A 80 -5.553 12.047 -2.943 1.00 0.00 C ATOM 1239 O GLN A 80 -5.144 10.895 -2.863 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.655 13.349 -0.810 1.00 0.00 C ATOM 1241 CG GLN A 80 -5.075 14.432 0.085 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.798 14.540 1.414 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.987 14.231 1.516 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -5.092 14.986 2.440 1.00 0.00 N ATOM 0 H GLN A 80 -5.477 15.145 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.873 12.894 -1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.696 13.589 -1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.652 12.404 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.021 14.223 0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.126 15.391 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.110 15.231 2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.530 15.084 3.356 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.554 12.413 -3.744 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.291 11.454 -4.562 1.00 0.00 C ATOM 1255 C GLU A 81 -6.370 10.725 -5.538 1.00 0.00 C ATOM 1256 O GLU A 81 -6.427 9.500 -5.662 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.404 12.169 -5.329 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.137 11.274 -6.311 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.332 11.952 -6.937 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -10.148 12.985 -7.614 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.466 11.462 -6.739 1.00 0.00 O ATOM 0 H GLU A 81 -6.874 13.376 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.728 10.711 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.121 12.576 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.977 13.014 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.448 10.963 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.465 10.370 -5.798 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.525 11.480 -6.227 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.588 10.896 -7.175 1.00 0.00 C ATOM 1270 C GLN A 82 -3.568 10.019 -6.465 1.00 0.00 C ATOM 1271 O GLN A 82 -3.194 8.958 -6.967 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.886 11.989 -7.977 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.742 12.562 -9.093 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.033 11.538 -10.170 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.232 10.634 -10.419 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.176 11.670 -10.822 1.00 0.00 N ATOM 0 H GLN A 82 -5.470 12.495 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.153 10.268 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.595 12.794 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.969 11.584 -8.404 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.681 12.928 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.234 13.419 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.812 12.432 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.421 11.010 -11.560 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.129 10.454 -5.287 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.203 9.661 -4.488 1.00 0.00 C ATOM 1287 C ASN A 83 -2.863 8.371 -4.019 1.00 0.00 C ATOM 1288 O ASN A 83 -2.200 7.344 -3.888 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.674 10.452 -3.285 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.499 11.346 -3.644 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.266 11.049 -4.563 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.323 12.430 -2.905 1.00 0.00 N ATOM 0 H ASN A 83 -3.398 11.344 -4.868 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.355 9.412 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.478 11.063 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.371 9.756 -2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.466 13.050 -3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.976 12.645 -2.152 1.00 0.00 H new ATOM 1299 N ARG A 84 -4.173 8.426 -3.779 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.933 7.242 -3.411 1.00 0.00 C ATOM 1301 C ARG A 84 -4.895 6.215 -4.532 1.00 0.00 C ATOM 1302 O ARG A 84 -4.532 5.060 -4.320 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.388 7.606 -3.119 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.597 8.454 -1.876 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.055 8.866 -1.740 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.290 9.701 -0.564 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.480 10.210 -0.236 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.542 9.994 -1.003 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -9.597 10.941 0.861 1.00 0.00 N ATOM 0 H ARG A 84 -4.726 9.281 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.479 6.819 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.793 8.140 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.964 6.686 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.289 7.894 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.967 9.342 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.362 9.408 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.678 7.974 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.497 9.908 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.453 9.435 -1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.447 10.387 -0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.781 11.112 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.503 11.333 1.118 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.257 6.655 -5.734 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.330 5.769 -6.890 1.00 0.00 C ATOM 1325 C ALA A 85 -3.964 5.184 -7.224 1.00 0.00 C ATOM 1326 O ALA A 85 -3.841 3.991 -7.501 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.892 6.512 -8.092 1.00 0.00 C ATOM 0 H ALA A 85 -5.505 7.624 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.998 4.945 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.940 5.837 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.893 6.875 -7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.246 7.356 -8.332 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.942 6.028 -7.185 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.581 5.604 -7.494 1.00 0.00 C ATOM 1335 C ASP A 86 -1.085 4.595 -6.469 1.00 0.00 C ATOM 1336 O ASP A 86 -0.469 3.586 -6.815 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.650 6.813 -7.516 1.00 0.00 C ATOM 1338 CG ASP A 86 0.717 6.488 -8.081 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.799 6.091 -9.263 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.719 6.654 -7.355 1.00 0.00 O ATOM 0 H ASP A 86 -3.029 7.015 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.584 5.131 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.105 7.606 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.538 7.198 -6.503 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.367 4.878 -5.206 1.00 0.00 N ATOM 1346 CA ALA A 87 -1.000 3.981 -4.118 1.00 0.00 C ATOM 1347 C ALA A 87 -1.696 2.635 -4.266 1.00 0.00 C ATOM 1348 O ALA A 87 -1.065 1.591 -4.125 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.333 4.602 -2.772 1.00 0.00 C ATOM 0 H ALA A 87 -1.851 5.725 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 87 0.077 3.818 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.051 3.915 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.784 5.537 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.403 4.801 -2.718 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.993 2.666 -4.558 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.767 1.443 -4.737 1.00 0.00 C ATOM 1357 C LEU A 88 -3.286 0.661 -5.955 1.00 0.00 C ATOM 1358 O LEU A 88 -3.242 -0.573 -5.933 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.256 1.768 -4.880 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.911 2.386 -3.643 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.367 2.722 -3.923 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.797 1.448 -2.451 1.00 0.00 C ATOM 0 H LEU A 88 -3.530 3.525 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.621 0.824 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.383 2.453 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.789 0.851 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.386 3.310 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.817 3.161 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.424 3.434 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.905 1.813 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.269 1.906 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.295 0.506 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.745 1.259 -2.236 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.928 1.377 -7.015 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.380 0.747 -8.210 1.00 0.00 C ATOM 1376 C LEU A 89 -1.094 0.007 -7.867 1.00 0.00 C ATOM 1377 O LEU A 89 -0.962 -1.188 -8.143 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.107 1.791 -9.296 1.00 0.00 C ATOM 1379 CG LEU A 89 -1.522 1.236 -10.598 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -2.515 0.305 -11.278 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -1.119 2.367 -11.529 1.00 0.00 C ATOM 0 H LEU A 89 -3.007 2.392 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.113 0.035 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.040 2.306 -9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.420 2.537 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.628 0.661 -10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.081 -0.079 -12.201 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.748 -0.527 -10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.429 0.853 -11.507 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.706 1.952 -12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.994 2.973 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.368 2.989 -11.042 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.163 0.717 -7.237 1.00 0.00 N ATOM 1394 CA ARG A 90 1.112 0.130 -6.841 1.00 0.00 C ATOM 1395 C ARG A 90 0.907 -0.995 -5.832 1.00 0.00 C ATOM 1396 O ARG A 90 1.623 -1.996 -5.859 1.00 0.00 O ATOM 1397 CB ARG A 90 2.038 1.197 -6.248 1.00 0.00 C ATOM 1398 CG ARG A 90 3.334 0.625 -5.701 1.00 0.00 C ATOM 1399 CD ARG A 90 4.250 1.701 -5.153 1.00 0.00 C ATOM 1400 NE ARG A 90 5.432 1.115 -4.521 1.00 0.00 N ATOM 1401 CZ ARG A 90 6.676 1.262 -4.976 1.00 0.00 C ATOM 1402 NH1 ARG A 90 6.920 2.007 -6.049 1.00 0.00 N ATOM 1403 NH2 ARG A 90 7.679 0.662 -4.347 1.00 0.00 N ATOM 0 H ARG A 90 -0.268 1.701 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 90 1.577 -0.285 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.269 1.936 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.514 1.721 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.108 -0.093 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.850 0.079 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.557 2.367 -5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.709 2.308 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 90 5.295 0.558 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.152 2.473 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.876 2.113 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.495 0.093 -3.521 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.634 0.770 -4.690 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.068 -0.829 -4.949 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.354 -1.821 -3.921 1.00 0.00 C ATOM 1419 C LEU A 91 -0.739 -3.150 -4.562 1.00 0.00 C ATOM 1420 O LEU A 91 -0.213 -4.200 -4.201 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.479 -1.330 -3.007 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.402 -1.813 -1.555 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.162 -1.248 -0.874 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.659 -1.409 -0.798 1.00 0.00 C ATOM 0 H LEU A 91 -0.678 -0.012 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 91 0.544 -1.969 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.478 -0.240 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.432 -1.649 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.331 -2.901 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.121 -1.600 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.729 -1.580 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.206 -0.159 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.591 -1.758 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.756 -0.323 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.531 -1.856 -1.276 1.00 0.00 H new ATOM 1436 N SER A 92 -1.638 -3.087 -5.535 1.00 0.00 N ATOM 1437 CA SER A 92 -2.083 -4.275 -6.248 1.00 0.00 C ATOM 1438 C SER A 92 -0.934 -4.872 -7.062 1.00 0.00 C ATOM 1439 O SER A 92 -0.784 -6.093 -7.137 1.00 0.00 O ATOM 1440 CB SER A 92 -3.274 -3.932 -7.154 1.00 0.00 C ATOM 1441 OG SER A 92 -3.791 -5.088 -7.792 1.00 0.00 O ATOM 0 H SER A 92 -2.075 -2.221 -5.849 1.00 0.00 H new ATOM 0 HA SER A 92 -2.406 -5.021 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.058 -3.460 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.963 -3.208 -7.907 1.00 0.00 H new ATOM 0 HG SER A 92 -4.549 -4.837 -8.360 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.115 -4.004 -7.650 1.00 0.00 N ATOM 1448 CA GLU A 93 1.072 -4.435 -8.376 1.00 0.00 C ATOM 1449 C GLU A 93 1.999 -5.209 -7.453 1.00 0.00 C ATOM 1450 O GLU A 93 2.459 -6.298 -7.787 1.00 0.00 O ATOM 1451 CB GLU A 93 1.818 -3.221 -8.933 1.00 0.00 C ATOM 1452 CG GLU A 93 1.116 -2.526 -10.086 1.00 0.00 C ATOM 1453 CD GLU A 93 1.076 -3.370 -11.341 1.00 0.00 C ATOM 1454 OE1 GLU A 93 2.121 -3.488 -12.015 1.00 0.00 O ATOM 1455 OE2 GLU A 93 -0.003 -3.909 -11.668 1.00 0.00 O ATOM 0 H GLU A 93 -0.254 -2.994 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 93 0.759 -5.078 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.967 -2.501 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.807 -3.538 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.097 -2.277 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.624 -1.586 -10.302 1.00 0.00 H new ATOM 1462 N LEU A 94 2.247 -4.638 -6.284 1.00 0.00 N ATOM 1463 CA LEU A 94 3.139 -5.227 -5.295 1.00 0.00 C ATOM 1464 C LEU A 94 2.663 -6.628 -4.906 1.00 0.00 C ATOM 1465 O LEU A 94 3.459 -7.565 -4.836 1.00 0.00 O ATOM 1466 CB LEU A 94 3.209 -4.302 -4.065 1.00 0.00 C ATOM 1467 CG LEU A 94 4.351 -4.557 -3.064 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.058 -5.759 -2.180 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.677 -4.741 -3.798 1.00 0.00 C ATOM 0 H LEU A 94 1.835 -3.751 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 94 4.138 -5.328 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.291 -3.274 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.264 -4.380 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 94 4.428 -3.682 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.885 -5.910 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.140 -5.583 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.939 -6.647 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.472 -4.920 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.603 -5.593 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.904 -3.842 -4.371 1.00 0.00 H new ATOM 1481 N ILE A 95 1.361 -6.762 -4.682 1.00 0.00 N ATOM 1482 CA ILE A 95 0.775 -8.033 -4.265 1.00 0.00 C ATOM 1483 C ILE A 95 0.944 -9.105 -5.345 1.00 0.00 C ATOM 1484 O ILE A 95 1.297 -10.248 -5.047 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.720 -7.865 -3.912 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.867 -6.897 -2.734 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -1.355 -9.212 -3.581 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.301 -6.598 -2.368 1.00 0.00 C ATOM 0 H ILE A 95 0.687 -6.003 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 95 1.309 -8.359 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.240 -7.454 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.360 -7.317 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.361 -5.963 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.407 -9.068 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.271 -9.875 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.842 -9.657 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.325 -5.906 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.808 -6.148 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.806 -7.523 -2.092 1.00 0.00 H new ATOM 1500 N VAL A 96 0.718 -8.730 -6.594 1.00 0.00 N ATOM 1501 CA VAL A 96 0.849 -9.667 -7.705 1.00 0.00 C ATOM 1502 C VAL A 96 2.321 -9.973 -7.980 1.00 0.00 C ATOM 1503 O VAL A 96 2.700 -11.122 -8.215 1.00 0.00 O ATOM 1504 CB VAL A 96 0.181 -9.121 -8.988 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.338 -10.100 -10.147 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.292 -8.821 -8.741 1.00 0.00 C ATOM 0 H VAL A 96 0.443 -7.786 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 96 0.339 -10.586 -7.418 1.00 0.00 H new ATOM 0 HB VAL A 96 0.684 -8.192 -9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.141 -9.691 -11.036 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.397 -10.260 -10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.130 -11.049 -9.887 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.744 -8.438 -9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.804 -9.735 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.384 -8.075 -7.951 1.00 0.00 H new ATOM 1516 N ASN A 97 3.147 -8.940 -7.918 1.00 0.00 N ATOM 1517 CA ASN A 97 4.569 -9.060 -8.181 1.00 0.00 C ATOM 1518 C ASN A 97 5.266 -9.928 -7.142 1.00 0.00 C ATOM 1519 O ASN A 97 6.283 -10.546 -7.436 1.00 0.00 O ATOM 1520 CB ASN A 97 5.210 -7.678 -8.248 1.00 0.00 C ATOM 1521 CG ASN A 97 5.057 -7.039 -9.619 1.00 0.00 C ATOM 1522 OD1 ASN A 97 5.005 -7.731 -10.635 1.00 0.00 O ATOM 1523 ND2 ASN A 97 4.974 -5.718 -9.656 1.00 0.00 N ATOM 0 H ASN A 97 2.848 -7.994 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 97 4.689 -9.553 -9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.757 -7.032 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.269 -7.758 -8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.863 -5.239 -10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.021 -5.180 -8.791 1.00 0.00 H new ATOM 1530 N ALA A 98 4.727 -9.965 -5.926 1.00 0.00 N ATOM 1531 CA ALA A 98 5.281 -10.801 -4.858 1.00 0.00 C ATOM 1532 C ALA A 98 5.343 -12.276 -5.270 1.00 0.00 C ATOM 1533 O ALA A 98 6.140 -13.049 -4.734 1.00 0.00 O ATOM 1534 CB ALA A 98 4.456 -10.640 -3.592 1.00 0.00 C ATOM 0 H ALA A 98 3.906 -9.426 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 98 6.302 -10.470 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.875 -11.265 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.474 -9.597 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.427 -10.943 -3.787 1.00 0.00 H new ATOM 1540 N ALA A 99 4.498 -12.666 -6.218 1.00 0.00 N ATOM 1541 CA ALA A 99 4.502 -14.032 -6.726 1.00 0.00 C ATOM 1542 C ALA A 99 5.484 -14.178 -7.889 1.00 0.00 C ATOM 1543 O ALA A 99 5.930 -15.280 -8.206 1.00 0.00 O ATOM 1544 CB ALA A 99 3.102 -14.440 -7.154 1.00 0.00 C ATOM 0 H ALA A 99 3.803 -12.057 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 99 4.828 -14.695 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.120 -15.462 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.428 -14.381 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.752 -13.770 -7.939 1.00 0.00 H new ATOM 1550 N LYS A 100 5.821 -13.055 -8.512 1.00 0.00 N ATOM 1551 CA LYS A 100 6.676 -13.040 -9.695 1.00 0.00 C ATOM 1552 C LYS A 100 8.130 -12.786 -9.318 1.00 0.00 C ATOM 1553 O LYS A 100 9.056 -13.178 -10.030 1.00 0.00 O ATOM 1554 CB LYS A 100 6.183 -11.968 -10.668 1.00 0.00 C ATOM 1555 CG LYS A 100 4.770 -12.217 -11.173 1.00 0.00 C ATOM 1556 CD LYS A 100 4.083 -10.927 -11.587 1.00 0.00 C ATOM 1557 CE LYS A 100 4.843 -10.198 -12.685 1.00 0.00 C ATOM 1558 NZ LYS A 100 4.185 -8.913 -13.040 1.00 0.00 N ATOM 0 H LYS A 100 5.511 -12.131 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 100 6.623 -14.017 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.219 -10.996 -10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.862 -11.920 -11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.803 -12.900 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.186 -12.706 -10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.073 -11.150 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.986 -10.274 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.865 -10.007 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.906 -10.833 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.589 -8.549 -13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.164 -9.068 -13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.341 -8.221 -12.279 1.00 0.00 H new ATOM 1572 N LEU A 101 8.317 -12.119 -8.194 1.00 0.00 N ATOM 1573 CA LEU A 101 9.632 -11.889 -7.644 1.00 0.00 C ATOM 1574 C LEU A 101 10.038 -13.094 -6.818 1.00 0.00 C ATOM 1575 O LEU A 101 9.175 -13.861 -6.393 1.00 0.00 O ATOM 1576 CB LEU A 101 9.628 -10.627 -6.783 1.00 0.00 C ATOM 1577 CG LEU A 101 9.304 -9.331 -7.529 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.256 -8.158 -6.564 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.329 -9.071 -8.623 1.00 0.00 C ATOM 0 H LEU A 101 7.558 -11.723 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 101 10.349 -11.747 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.902 -10.756 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.607 -10.523 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 101 8.324 -9.441 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.024 -7.245 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.486 -8.336 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.223 -8.051 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.081 -8.145 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.321 -8.984 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.321 -9.898 -9.333 1.00 0.00 H new