USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 888 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 6 CYS SG : rot 6:sc= 1.26 USER MOD Set 1.2: A 106 MET CE :methyl 155:sc= -2.32 (180deg=-5.09!) USER MOD Set 2.1: A 65 GLN : amide:sc= 0.225 X(o=0.43,f=0.21) USER MOD Set 2.2: A 103 TYR OH : rot 165:sc= 0.209 USER MOD Set 3.1: A 47 MET CE :methyl 157:sc= -0.279 (180deg=-0.367) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -175:sc= -0.202 (180deg=-0.0415) USER MOD Single : A 1 GLU N :NH3+ -122:sc= 0.837 (180deg=-0.0696) USER MOD Single : A 2 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.17) USER MOD Single : A 4 LYS NZ :NH3+ -151:sc=-0.00245 (180deg=-0.434) USER MOD Single : A 5 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0.031) USER MOD Single : A 7 ASN : amide:sc= 0.663 K(o=0.66,f=-0.068) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.363 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= 0.767 (180deg=-0.00747) USER MOD Single : A 18 HIS : no HE2:sc= -0.512 K(o=-0.51,f=-1.8) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -2.05! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.0926 X(o=-0.093,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00106 USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= -0.542 (180deg=-1.98!) USER MOD Single : A 56 MET CE :methyl 157:sc= 0 (180deg=-0.64) USER MOD Single : A 58 ASN : amide:sc= -0.0877 X(o=-0.088,f=0) USER MOD Single : A 61 TYR OH : rot 42:sc= -0.679 USER MOD Single : A 74 MET CE :methyl -165:sc= -1.29 (180deg=-1.87!) USER MOD Single : A 76 SER OG : rot -37:sc= 0.637 USER MOD Single : A 77 ASN : amide:sc= 0.0686 K(o=0.069,f=-1.4!) USER MOD Single : A 78 CYS SG : rot 157:sc= -0.865 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 86 HIS : no HD1:sc= -0.063 X(o=-0.063,f=-0.063) USER MOD Single : A 91 MET CE :methyl -176:sc= 0 (180deg=-0.0278) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0231) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.141 12.978 -0.184 1.00 0.00 N ATOM 2 CA GLU A 1 -15.203 11.490 -0.145 1.00 0.00 C ATOM 3 C GLU A 1 -13.837 10.886 0.177 1.00 0.00 C ATOM 4 O GLU A 1 -12.809 11.358 -0.312 1.00 0.00 O ATOM 5 CB GLU A 1 -15.703 10.978 -1.504 1.00 0.00 C ATOM 6 CG GLU A 1 -14.805 11.360 -2.675 1.00 0.00 C ATOM 7 CD GLU A 1 -15.386 12.474 -3.526 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.662 13.561 -2.975 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.559 12.262 -4.744 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.812 13.372 0.506 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.178 13.292 0.052 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.390 13.311 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.891 11.186 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.789 9.892 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.704 11.370 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -13.832 11.670 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -14.638 10.482 -3.299 1.00 0.00 H new ATOM 18 N GLN A 2 -13.835 9.838 0.999 1.00 0.00 N ATOM 19 CA GLN A 2 -12.597 9.163 1.387 1.00 0.00 C ATOM 20 C GLN A 2 -11.910 8.516 0.179 1.00 0.00 C ATOM 21 O GLN A 2 -10.686 8.377 0.157 1.00 0.00 O ATOM 22 CB GLN A 2 -12.886 8.106 2.456 1.00 0.00 C ATOM 23 CG GLN A 2 -12.763 8.629 3.880 1.00 0.00 C ATOM 24 CD GLN A 2 -14.101 9.030 4.474 1.00 0.00 C ATOM 25 OE1 GLN A 2 -15.051 8.247 4.475 1.00 0.00 O ATOM 26 NE2 GLN A 2 -14.185 10.256 4.980 1.00 0.00 N ATOM 0 H GLN A 2 -14.678 9.437 1.410 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.920 9.913 1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.893 7.716 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.198 7.271 2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.307 7.862 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.093 9.489 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.373 10.873 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.061 10.580 5.390 1.00 0.00 H new ATOM 35 N LEU A 3 -12.702 8.133 -0.826 1.00 0.00 N ATOM 36 CA LEU A 3 -12.169 7.508 -2.037 1.00 0.00 C ATOM 37 C LEU A 3 -11.128 8.408 -2.704 1.00 0.00 C ATOM 38 O LEU A 3 -10.077 7.935 -3.141 1.00 0.00 O ATOM 39 CB LEU A 3 -13.310 7.213 -3.017 1.00 0.00 C ATOM 40 CG LEU A 3 -12.988 6.189 -4.109 1.00 0.00 C ATOM 41 CD1 LEU A 3 -14.218 5.354 -4.432 1.00 0.00 C ATOM 42 CD2 LEU A 3 -12.469 6.885 -5.361 1.00 0.00 C ATOM 0 H LEU A 3 -13.716 8.245 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.683 6.574 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.170 6.857 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.607 8.147 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.207 5.525 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.973 4.631 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.545 4.826 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.019 6.006 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.246 6.140 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.227 7.573 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.562 7.440 -5.119 1.00 0.00 H new ATOM 54 N LYS A 4 -11.420 9.706 -2.768 1.00 0.00 N ATOM 55 CA LYS A 4 -10.504 10.669 -3.372 1.00 0.00 C ATOM 56 C LYS A 4 -9.233 10.811 -2.533 1.00 0.00 C ATOM 57 O LYS A 4 -8.139 10.971 -3.075 1.00 0.00 O ATOM 58 CB LYS A 4 -11.183 12.034 -3.525 1.00 0.00 C ATOM 59 CG LYS A 4 -10.878 12.719 -4.848 1.00 0.00 C ATOM 60 CD LYS A 4 -11.129 14.218 -4.777 1.00 0.00 C ATOM 61 CE LYS A 4 -9.936 14.957 -4.185 1.00 0.00 C ATOM 62 NZ LYS A 4 -10.150 15.322 -2.755 1.00 0.00 N ATOM 0 H LYS A 4 -12.283 10.114 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.230 10.298 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.261 11.907 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.866 12.682 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.839 12.537 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.495 12.284 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.336 14.601 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.015 14.411 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.046 14.333 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.747 15.861 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.614 16.185 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.162 15.491 -2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.823 14.545 -2.146 1.00 0.00 H new ATOM 76 N HIS A 5 -9.388 10.748 -1.209 1.00 0.00 N ATOM 77 CA HIS A 5 -8.253 10.864 -0.294 1.00 0.00 C ATOM 78 C HIS A 5 -7.240 9.744 -0.531 1.00 0.00 C ATOM 79 O HIS A 5 -6.032 9.987 -0.546 1.00 0.00 O ATOM 80 CB HIS A 5 -8.729 10.828 1.160 1.00 0.00 C ATOM 81 CG HIS A 5 -9.277 12.134 1.650 1.00 0.00 C ATOM 82 ND1 HIS A 5 -8.490 13.116 2.214 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.543 12.615 1.663 1.00 0.00 C ATOM 84 CE1 HIS A 5 -9.249 14.144 2.554 1.00 0.00 C ATOM 85 NE2 HIS A 5 -10.497 13.865 2.230 1.00 0.00 N ATOM 0 H HIS A 5 -10.288 10.617 -0.748 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.767 11.820 -0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.497 10.061 1.262 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.896 10.532 1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.424 12.110 1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.906 15.057 3.018 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.298 14.479 2.377 1.00 0.00 H new ATOM 94 N CYS A 6 -7.741 8.520 -0.718 1.00 0.00 N ATOM 95 CA CYS A 6 -6.877 7.362 -0.959 1.00 0.00 C ATOM 96 C CYS A 6 -6.008 7.582 -2.196 1.00 0.00 C ATOM 97 O CYS A 6 -4.817 7.265 -2.191 1.00 0.00 O ATOM 98 CB CYS A 6 -7.710 6.088 -1.135 1.00 0.00 C ATOM 99 SG CYS A 6 -8.433 5.454 0.397 1.00 0.00 S ATOM 0 H CYS A 6 -8.738 8.306 -0.707 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.231 7.244 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.512 6.287 -1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.080 5.314 -1.573 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.211 6.296 1.363 1.00 0.00 H new ATOM 105 N ASN A 7 -6.611 8.132 -3.252 1.00 0.00 N ATOM 106 CA ASN A 7 -5.892 8.402 -4.496 1.00 0.00 C ATOM 107 C ASN A 7 -4.749 9.391 -4.264 1.00 0.00 C ATOM 108 O ASN A 7 -3.693 9.288 -4.890 1.00 0.00 O ATOM 109 CB ASN A 7 -6.851 8.943 -5.562 1.00 0.00 C ATOM 110 CG ASN A 7 -7.618 7.837 -6.262 1.00 0.00 C ATOM 111 OD1 ASN A 7 -7.254 7.412 -7.359 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.686 7.361 -5.630 1.00 0.00 N ATOM 0 H ASN A 7 -7.595 8.399 -3.269 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.466 7.463 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.556 9.633 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.286 9.513 -6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.239 6.615 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.953 7.741 -4.722 1.00 0.00 H new ATOM 119 N VAL A 8 -4.965 10.343 -3.355 1.00 0.00 N ATOM 120 CA VAL A 8 -3.950 11.343 -3.037 1.00 0.00 C ATOM 121 C VAL A 8 -2.737 10.698 -2.363 1.00 0.00 C ATOM 122 O VAL A 8 -1.594 11.050 -2.658 1.00 0.00 O ATOM 123 CB VAL A 8 -4.510 12.454 -2.121 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.484 13.562 -1.933 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.811 13.017 -2.683 1.00 0.00 C ATOM 0 H VAL A 8 -5.833 10.441 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.643 11.792 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.723 12.014 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.898 14.335 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.583 13.150 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.235 13.996 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.186 13.797 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.628 13.437 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.550 12.219 -2.758 1.00 0.00 H new ATOM 135 N ILE A 9 -2.993 9.751 -1.460 1.00 0.00 N ATOM 136 CA ILE A 9 -1.919 9.057 -0.751 1.00 0.00 C ATOM 137 C ILE A 9 -1.050 8.256 -1.723 1.00 0.00 C ATOM 138 O ILE A 9 0.176 8.241 -1.600 1.00 0.00 O ATOM 139 CB ILE A 9 -2.471 8.112 0.341 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.425 8.865 1.276 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.329 7.493 1.135 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.281 7.953 2.129 1.00 0.00 C ATOM 0 H ILE A 9 -3.932 9.448 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.311 9.823 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.028 7.313 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.843 9.517 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.074 9.506 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.735 6.831 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.687 6.922 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.747 8.282 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.931 8.554 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.890 7.318 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.640 7.329 2.752 1.00 0.00 H new ATOM 154 N LEU A 10 -1.690 7.598 -2.693 1.00 0.00 N ATOM 155 CA LEU A 10 -0.971 6.801 -3.689 1.00 0.00 C ATOM 156 C LEU A 10 0.023 7.665 -4.470 1.00 0.00 C ATOM 157 O LEU A 10 1.140 7.231 -4.756 1.00 0.00 O ATOM 158 CB LEU A 10 -1.956 6.135 -4.658 1.00 0.00 C ATOM 159 CG LEU A 10 -1.575 4.718 -5.107 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.641 3.715 -4.684 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.368 4.671 -6.616 1.00 0.00 C ATOM 0 H LEU A 10 -2.703 7.602 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.416 6.027 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.937 6.097 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.053 6.765 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.637 4.447 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.352 2.717 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.741 3.726 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.595 3.984 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.098 3.658 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.289 4.965 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.568 5.357 -6.895 1.00 0.00 H new ATOM 173 N LYS A 11 -0.393 8.888 -4.811 1.00 0.00 N ATOM 174 CA LYS A 11 0.459 9.814 -5.558 1.00 0.00 C ATOM 175 C LYS A 11 1.758 10.097 -4.805 1.00 0.00 C ATOM 176 O LYS A 11 2.834 10.110 -5.402 1.00 0.00 O ATOM 177 CB LYS A 11 -0.282 11.130 -5.826 1.00 0.00 C ATOM 178 CG LYS A 11 -0.997 11.165 -7.169 1.00 0.00 C ATOM 179 CD LYS A 11 -1.754 12.471 -7.368 1.00 0.00 C ATOM 180 CE LYS A 11 -0.807 13.640 -7.610 1.00 0.00 C ATOM 181 NZ LYS A 11 -0.748 14.031 -9.049 1.00 0.00 N ATOM 0 H LYS A 11 -1.315 9.259 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 11 0.706 9.343 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.010 11.295 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.430 11.954 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.271 11.039 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.692 10.328 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.434 12.372 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.366 12.674 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.130 14.495 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.192 13.372 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.092 14.829 -9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.415 13.224 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.696 14.312 -9.371 1.00 0.00 H new ATOM 195 N GLU A 12 1.650 10.323 -3.496 1.00 0.00 N ATOM 196 CA GLU A 12 2.819 10.609 -2.664 1.00 0.00 C ATOM 197 C GLU A 12 3.809 9.442 -2.678 1.00 0.00 C ATOM 198 O GLU A 12 5.019 9.650 -2.783 1.00 0.00 O ATOM 199 CB GLU A 12 2.390 10.911 -1.225 1.00 0.00 C ATOM 200 CG GLU A 12 3.502 11.492 -0.363 1.00 0.00 C ATOM 201 CD GLU A 12 3.623 12.998 -0.497 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.135 13.463 -1.537 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.210 13.711 0.442 1.00 0.00 O ATOM 0 H GLU A 12 0.765 10.314 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 12 3.317 11.485 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.554 11.610 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.027 9.993 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.317 11.238 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.449 11.030 -0.640 1.00 0.00 H new ATOM 210 N LEU A 13 3.287 8.219 -2.575 1.00 0.00 N ATOM 211 CA LEU A 13 4.125 7.019 -2.577 1.00 0.00 C ATOM 212 C LEU A 13 4.886 6.884 -3.898 1.00 0.00 C ATOM 213 O LEU A 13 6.062 6.519 -3.911 1.00 0.00 O ATOM 214 CB LEU A 13 3.272 5.767 -2.339 1.00 0.00 C ATOM 215 CG LEU A 13 2.457 5.764 -1.041 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.509 4.572 -1.009 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.381 5.751 0.169 1.00 0.00 C ATOM 0 H LEU A 13 2.288 8.033 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 13 4.849 7.116 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.587 5.650 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.927 4.896 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 13 1.860 6.676 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.938 4.586 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.825 4.628 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.084 3.648 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.785 5.749 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.005 4.858 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.016 6.637 0.152 1.00 0.00 H new ATOM 229 N LEU A 14 4.204 7.185 -5.003 1.00 0.00 N ATOM 230 CA LEU A 14 4.806 7.102 -6.334 1.00 0.00 C ATOM 231 C LEU A 14 5.502 8.412 -6.732 1.00 0.00 C ATOM 232 O LEU A 14 6.049 8.513 -7.832 1.00 0.00 O ATOM 233 CB LEU A 14 3.736 6.757 -7.375 1.00 0.00 C ATOM 234 CG LEU A 14 3.488 5.262 -7.590 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.239 4.811 -6.846 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.368 4.954 -9.076 1.00 0.00 C ATOM 0 H LEU A 14 3.231 7.490 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 14 5.560 6.316 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.798 7.224 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.024 7.201 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 14 4.339 4.710 -7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.081 3.745 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.364 4.997 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.376 5.367 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.192 3.887 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.535 5.517 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.291 5.237 -9.582 1.00 0.00 H new ATOM 248 N SER A 15 5.473 9.415 -5.849 1.00 0.00 N ATOM 249 CA SER A 15 6.095 10.706 -6.135 1.00 0.00 C ATOM 250 C SER A 15 7.611 10.650 -5.945 1.00 0.00 C ATOM 251 O SER A 15 8.368 10.783 -6.908 1.00 0.00 O ATOM 252 CB SER A 15 5.493 11.799 -5.244 1.00 0.00 C ATOM 253 OG SER A 15 5.322 13.008 -5.965 1.00 0.00 O ATOM 0 H SER A 15 5.026 9.356 -4.934 1.00 0.00 H new ATOM 0 HA SER A 15 5.894 10.946 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.532 11.466 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.143 11.972 -4.386 1.00 0.00 H new ATOM 0 HG SER A 15 4.935 13.689 -5.375 1.00 0.00 H new ATOM 259 N LYS A 16 8.047 10.454 -4.698 1.00 0.00 N ATOM 260 CA LYS A 16 9.476 10.381 -4.374 1.00 0.00 C ATOM 261 C LYS A 16 9.699 10.217 -2.867 1.00 0.00 C ATOM 262 O LYS A 16 10.576 9.460 -2.445 1.00 0.00 O ATOM 263 CB LYS A 16 10.219 11.630 -4.872 1.00 0.00 C ATOM 264 CG LYS A 16 9.584 12.945 -4.441 1.00 0.00 C ATOM 265 CD LYS A 16 9.408 13.893 -5.617 1.00 0.00 C ATOM 266 CE LYS A 16 8.143 14.730 -5.480 1.00 0.00 C ATOM 267 NZ LYS A 16 8.335 16.121 -5.978 1.00 0.00 N ATOM 0 H LYS A 16 7.430 10.343 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 16 9.876 9.504 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.246 11.598 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.266 11.601 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.615 12.749 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.206 13.418 -3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.274 14.551 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.367 13.320 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.333 14.256 -6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.839 14.759 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.450 16.655 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.090 16.584 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.599 16.096 -6.984 1.00 0.00 H new ATOM 281 N LYS A 17 8.903 10.930 -2.062 1.00 0.00 N ATOM 282 CA LYS A 17 9.011 10.866 -0.602 1.00 0.00 C ATOM 283 C LYS A 17 9.113 9.422 -0.116 1.00 0.00 C ATOM 284 O LYS A 17 10.033 9.074 0.625 1.00 0.00 O ATOM 285 CB LYS A 17 7.805 11.546 0.051 1.00 0.00 C ATOM 286 CG LYS A 17 7.976 13.045 0.237 1.00 0.00 C ATOM 287 CD LYS A 17 7.906 13.440 1.705 1.00 0.00 C ATOM 288 CE LYS A 17 6.509 13.238 2.276 1.00 0.00 C ATOM 289 NZ LYS A 17 5.607 14.385 1.974 1.00 0.00 N ATOM 0 H LYS A 17 8.175 11.560 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 17 9.922 11.391 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.921 11.363 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.622 11.087 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.934 13.357 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.201 13.572 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.622 12.848 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.197 14.485 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.080 12.323 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.575 13.104 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.408 14.910 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.067 15.017 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.716 14.029 1.573 1.00 0.00 H new ATOM 303 N HIS A 18 8.168 8.587 -0.543 1.00 0.00 N ATOM 304 CA HIS A 18 8.157 7.177 -0.156 1.00 0.00 C ATOM 305 C HIS A 18 8.393 6.272 -1.366 1.00 0.00 C ATOM 306 O HIS A 18 7.916 5.135 -1.407 1.00 0.00 O ATOM 307 CB HIS A 18 6.829 6.821 0.516 1.00 0.00 C ATOM 308 CG HIS A 18 6.503 7.679 1.700 1.00 0.00 C ATOM 309 ND1 HIS A 18 7.465 8.302 2.470 1.00 0.00 N ATOM 310 CD2 HIS A 18 5.311 8.019 2.243 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.877 8.985 3.436 1.00 0.00 C ATOM 312 NE2 HIS A 18 5.571 8.830 3.319 1.00 0.00 N ATOM 0 H HIS A 18 7.401 8.861 -1.156 1.00 0.00 H new ATOM 0 HA HIS A 18 8.969 7.016 0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.027 6.908 -0.217 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.860 5.778 0.832 1.00 0.00 H new ATOM 0 HD1 HIS A 18 8.472 8.244 2.317 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.337 7.710 1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.379 9.570 4.192 1.00 0.00 H new ATOM 321 N ALA A 19 9.141 6.781 -2.344 1.00 0.00 N ATOM 322 CA ALA A 19 9.451 6.021 -3.550 1.00 0.00 C ATOM 323 C ALA A 19 10.459 4.913 -3.259 1.00 0.00 C ATOM 324 O ALA A 19 10.438 3.868 -3.907 1.00 0.00 O ATOM 325 CB ALA A 19 9.981 6.941 -4.639 1.00 0.00 C ATOM 0 H ALA A 19 9.543 7.718 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 19 8.528 5.558 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.207 6.357 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.229 7.693 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.888 7.434 -4.289 1.00 0.00 H new ATOM 331 N ALA A 20 11.338 5.148 -2.276 1.00 0.00 N ATOM 332 CA ALA A 20 12.356 4.167 -1.894 1.00 0.00 C ATOM 333 C ALA A 20 11.737 2.801 -1.592 1.00 0.00 C ATOM 334 O ALA A 20 12.355 1.766 -1.845 1.00 0.00 O ATOM 335 CB ALA A 20 13.154 4.667 -0.697 1.00 0.00 C ATOM 0 H ALA A 20 11.363 6.010 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 20 13.031 4.044 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.906 3.926 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.645 5.606 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.483 4.828 0.147 1.00 0.00 H new ATOM 341 N TYR A 21 10.515 2.807 -1.058 1.00 0.00 N ATOM 342 CA TYR A 21 9.803 1.568 -0.735 1.00 0.00 C ATOM 343 C TYR A 21 8.763 1.226 -1.813 1.00 0.00 C ATOM 344 O TYR A 21 8.202 0.128 -1.818 1.00 0.00 O ATOM 345 CB TYR A 21 9.112 1.676 0.630 1.00 0.00 C ATOM 346 CG TYR A 21 9.811 2.594 1.611 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.849 2.130 2.406 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.426 3.923 1.744 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.485 2.961 3.307 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.057 4.762 2.641 1.00 0.00 C ATOM 351 CZ TYR A 21 11.086 4.276 3.421 1.00 0.00 C ATOM 352 OH TYR A 21 11.716 5.107 4.318 1.00 0.00 O ATOM 0 H TYR A 21 9.996 3.657 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 21 10.543 0.768 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.092 2.031 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.042 0.681 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.165 1.101 2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.620 4.306 1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 21 12.291 2.583 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.747 5.793 2.731 1.00 0.00 H new ATOM 0 HH TYR A 21 11.316 6.000 4.273 1.00 0.00 H new ATOM 362 N ALA A 22 8.504 2.175 -2.721 1.00 0.00 N ATOM 363 CA ALA A 22 7.529 1.980 -3.793 1.00 0.00 C ATOM 364 C ALA A 22 8.097 1.144 -4.939 1.00 0.00 C ATOM 365 O ALA A 22 7.423 0.248 -5.443 1.00 0.00 O ATOM 366 CB ALA A 22 7.045 3.325 -4.318 1.00 0.00 C ATOM 0 H ALA A 22 8.960 3.088 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 22 6.687 1.432 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.320 3.165 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.576 3.884 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.892 3.890 -4.706 1.00 0.00 H new ATOM 372 N TRP A 23 9.333 1.443 -5.360 1.00 0.00 N ATOM 373 CA TRP A 23 9.957 0.707 -6.462 1.00 0.00 C ATOM 374 C TRP A 23 10.255 -0.759 -6.104 1.00 0.00 C ATOM 375 O TRP A 23 10.096 -1.635 -6.956 1.00 0.00 O ATOM 376 CB TRP A 23 11.230 1.411 -6.960 1.00 0.00 C ATOM 377 CG TRP A 23 12.361 1.410 -5.979 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.672 2.397 -5.093 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.336 0.378 -5.791 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.767 2.037 -4.351 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.198 0.803 -4.763 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.559 -0.867 -6.385 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.268 0.030 -4.321 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.622 -1.634 -5.947 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.464 -1.184 -4.922 1.00 0.00 C ATOM 0 H TRP A 23 9.913 2.180 -4.959 1.00 0.00 H new ATOM 0 HA TRP A 23 9.227 0.698 -7.272 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.562 0.928 -7.879 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.985 2.443 -7.213 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.134 3.328 -4.990 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.192 2.597 -3.612 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.912 -1.224 -7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.920 0.376 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.806 -2.596 -6.402 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.285 -1.808 -4.599 1.00 0.00 H new ATOM 396 N PRO A 24 10.683 -1.072 -4.854 1.00 0.00 N ATOM 397 CA PRO A 24 10.977 -2.457 -4.462 1.00 0.00 C ATOM 398 C PRO A 24 9.724 -3.331 -4.444 1.00 0.00 C ATOM 399 O PRO A 24 9.760 -4.488 -4.864 1.00 0.00 O ATOM 400 CB PRO A 24 11.568 -2.327 -3.056 1.00 0.00 C ATOM 401 CG PRO A 24 11.052 -1.031 -2.540 1.00 0.00 C ATOM 402 CD PRO A 24 10.911 -0.132 -3.736 1.00 0.00 C ATOM 0 HA PRO A 24 11.652 -2.942 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.259 -3.156 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.658 -2.335 -3.084 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.094 -1.165 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.737 -0.602 -1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.078 0.562 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.807 0.469 -3.894 1.00 0.00 H new ATOM 410 N PHE A 25 8.614 -2.764 -3.965 1.00 0.00 N ATOM 411 CA PHE A 25 7.345 -3.488 -3.902 1.00 0.00 C ATOM 412 C PHE A 25 6.496 -3.251 -5.163 1.00 0.00 C ATOM 413 O PHE A 25 5.389 -3.782 -5.278 1.00 0.00 O ATOM 414 CB PHE A 25 6.559 -3.072 -2.652 1.00 0.00 C ATOM 415 CG PHE A 25 7.107 -3.646 -1.370 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.399 -3.353 -0.956 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.329 -4.479 -0.581 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.902 -3.880 0.219 1.00 0.00 C ATOM 419 CE2 PHE A 25 6.827 -5.008 0.595 1.00 0.00 C ATOM 420 CZ PHE A 25 8.114 -4.709 0.996 1.00 0.00 C ATOM 0 H PHE A 25 8.570 -1.807 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 25 7.572 -4.553 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.557 -1.984 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.521 -3.386 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.019 -2.706 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.322 -4.718 -0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.909 -3.644 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.209 -5.655 1.200 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.504 -5.122 1.915 1.00 0.00 H new ATOM 430 N TYR A 26 7.018 -2.454 -6.104 1.00 0.00 N ATOM 431 CA TYR A 26 6.307 -2.152 -7.347 1.00 0.00 C ATOM 432 C TYR A 26 6.145 -3.402 -8.210 1.00 0.00 C ATOM 433 O TYR A 26 5.027 -3.775 -8.570 1.00 0.00 O ATOM 434 CB TYR A 26 7.054 -1.074 -8.138 1.00 0.00 C ATOM 435 CG TYR A 26 6.146 -0.089 -8.838 1.00 0.00 C ATOM 436 CD1 TYR A 26 5.444 -0.453 -9.982 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.997 1.207 -8.361 1.00 0.00 C ATOM 438 CE1 TYR A 26 4.620 0.447 -10.628 1.00 0.00 C ATOM 439 CE2 TYR A 26 5.174 2.112 -9.002 1.00 0.00 C ATOM 440 CZ TYR A 26 4.488 1.727 -10.136 1.00 0.00 C ATOM 441 OH TYR A 26 3.669 2.625 -10.780 1.00 0.00 O ATOM 0 H TYR A 26 7.932 -2.007 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 26 5.315 -1.785 -7.082 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.711 -0.529 -7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.691 -1.557 -8.879 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.545 -1.455 -10.371 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.533 1.512 -7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.081 0.149 -11.515 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.068 3.116 -8.618 1.00 0.00 H new ATOM 0 HH TYR A 26 2.935 2.144 -11.216 1.00 0.00 H new ATOM 451 N LYS A 27 7.270 -4.039 -8.541 1.00 0.00 N ATOM 452 CA LYS A 27 7.262 -5.247 -9.368 1.00 0.00 C ATOM 453 C LYS A 27 6.461 -6.367 -8.701 1.00 0.00 C ATOM 454 O LYS A 27 6.543 -6.562 -7.487 1.00 0.00 O ATOM 455 CB LYS A 27 8.695 -5.720 -9.644 1.00 0.00 C ATOM 456 CG LYS A 27 9.511 -5.978 -8.387 1.00 0.00 C ATOM 457 CD LYS A 27 10.858 -6.599 -8.716 1.00 0.00 C ATOM 458 CE LYS A 27 11.951 -6.079 -7.796 1.00 0.00 C ATOM 459 NZ LYS A 27 12.955 -7.130 -7.474 1.00 0.00 N ATOM 0 H LYS A 27 8.199 -3.738 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 27 6.782 -4.999 -10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.658 -6.635 -10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.205 -4.970 -10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.662 -5.041 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.957 -6.640 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.791 -7.683 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.118 -6.380 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.450 -5.233 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.503 -5.710 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.682 -6.734 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.484 -7.927 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.401 -7.464 -8.352 1.00 0.00 H new ATOM 473 N PRO A 28 5.670 -7.118 -9.493 1.00 0.00 N ATOM 474 CA PRO A 28 4.851 -8.218 -8.979 1.00 0.00 C ATOM 475 C PRO A 28 5.657 -9.490 -8.737 1.00 0.00 C ATOM 476 O PRO A 28 6.784 -9.626 -9.221 1.00 0.00 O ATOM 477 CB PRO A 28 3.834 -8.440 -10.096 1.00 0.00 C ATOM 478 CG PRO A 28 4.554 -8.049 -11.341 1.00 0.00 C ATOM 479 CD PRO A 28 5.509 -6.949 -10.952 1.00 0.00 C ATOM 0 HA PRO A 28 4.410 -7.979 -8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.509 -9.480 -10.136 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.941 -7.832 -9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.091 -8.899 -11.762 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.854 -7.705 -12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.462 -7.044 -11.473 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.108 -5.966 -11.199 1.00 0.00 H new ATOM 487 N VAL A 29 5.066 -10.422 -7.995 1.00 0.00 N ATOM 488 CA VAL A 29 5.718 -11.690 -7.700 1.00 0.00 C ATOM 489 C VAL A 29 5.018 -12.832 -8.439 1.00 0.00 C ATOM 490 O VAL A 29 4.230 -13.584 -7.859 1.00 0.00 O ATOM 491 CB VAL A 29 5.762 -11.970 -6.178 1.00 0.00 C ATOM 492 CG1 VAL A 29 4.360 -12.055 -5.588 1.00 0.00 C ATOM 493 CG2 VAL A 29 6.554 -13.239 -5.892 1.00 0.00 C ATOM 0 H VAL A 29 4.136 -10.321 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 29 6.748 -11.624 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 29 6.268 -11.134 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.427 -12.252 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.839 -11.112 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.810 -12.862 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.575 -13.421 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.082 -14.084 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.573 -13.122 -6.260 1.00 0.00 H new ATOM 503 N ASP A 30 5.309 -12.945 -9.734 1.00 0.00 N ATOM 504 CA ASP A 30 4.711 -13.980 -10.570 1.00 0.00 C ATOM 505 C ASP A 30 5.317 -15.343 -10.254 1.00 0.00 C ATOM 506 O ASP A 30 6.185 -15.833 -10.976 1.00 0.00 O ATOM 507 CB ASP A 30 4.902 -13.650 -12.053 1.00 0.00 C ATOM 508 CG ASP A 30 4.489 -12.231 -12.395 1.00 0.00 C ATOM 509 OD1 ASP A 30 3.272 -11.974 -12.498 1.00 0.00 O ATOM 510 OD2 ASP A 30 5.385 -11.376 -12.556 1.00 0.00 O ATOM 0 H ASP A 30 5.957 -12.330 -10.226 1.00 0.00 H new ATOM 0 HA ASP A 30 3.643 -14.016 -10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.949 -13.794 -12.321 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.320 -14.348 -12.654 1.00 0.00 H new ATOM 515 N ALA A 31 4.852 -15.950 -9.165 1.00 0.00 N ATOM 516 CA ALA A 31 5.343 -17.259 -8.743 1.00 0.00 C ATOM 517 C ALA A 31 5.195 -18.298 -9.856 1.00 0.00 C ATOM 518 O ALA A 31 6.028 -19.196 -9.991 1.00 0.00 O ATOM 519 CB ALA A 31 4.605 -17.718 -7.495 1.00 0.00 C ATOM 0 H ALA A 31 4.134 -15.555 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 31 6.405 -17.161 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.979 -18.695 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.767 -17.000 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.538 -17.789 -7.708 1.00 0.00 H new ATOM 525 N SER A 32 4.129 -18.171 -10.649 1.00 0.00 N ATOM 526 CA SER A 32 3.869 -19.099 -11.749 1.00 0.00 C ATOM 527 C SER A 32 4.684 -18.738 -12.992 1.00 0.00 C ATOM 528 O SER A 32 5.182 -19.622 -13.691 1.00 0.00 O ATOM 529 CB SER A 32 2.375 -19.115 -12.093 1.00 0.00 C ATOM 530 OG SER A 32 1.576 -19.166 -10.921 1.00 0.00 O ATOM 0 H SER A 32 3.432 -17.433 -10.549 1.00 0.00 H new ATOM 0 HA SER A 32 4.174 -20.092 -11.420 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.123 -18.225 -12.669 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.154 -19.976 -12.724 1.00 0.00 H new ATOM 0 HG SER A 32 0.628 -19.173 -11.171 1.00 0.00 H new ATOM 536 N ALA A 33 4.811 -17.438 -13.267 1.00 0.00 N ATOM 537 CA ALA A 33 5.560 -16.966 -14.432 1.00 0.00 C ATOM 538 C ALA A 33 7.069 -17.125 -14.234 1.00 0.00 C ATOM 539 O ALA A 33 7.747 -17.730 -15.063 1.00 0.00 O ATOM 540 CB ALA A 33 5.212 -15.514 -14.734 1.00 0.00 C ATOM 0 H ALA A 33 4.405 -16.695 -12.699 1.00 0.00 H new ATOM 0 HA ALA A 33 5.272 -17.583 -15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.777 -15.178 -15.603 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.145 -15.431 -14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.464 -14.893 -13.874 1.00 0.00 H new ATOM 546 N LEU A 34 7.588 -16.577 -13.133 1.00 0.00 N ATOM 547 CA LEU A 34 9.019 -16.660 -12.833 1.00 0.00 C ATOM 548 C LEU A 34 9.445 -18.107 -12.593 1.00 0.00 C ATOM 549 O LEU A 34 10.196 -18.680 -13.385 1.00 0.00 O ATOM 550 CB LEU A 34 9.364 -15.810 -11.605 1.00 0.00 C ATOM 551 CG LEU A 34 10.027 -14.463 -11.908 1.00 0.00 C ATOM 552 CD1 LEU A 34 9.468 -13.380 -10.997 1.00 0.00 C ATOM 553 CD2 LEU A 34 11.540 -14.567 -11.757 1.00 0.00 C ATOM 0 H LEU A 34 7.040 -16.072 -12.436 1.00 0.00 H new ATOM 0 HA LEU A 34 9.561 -16.275 -13.696 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.449 -15.628 -11.041 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.027 -16.386 -10.959 1.00 0.00 H new ATOM 0 HG LEU A 34 9.805 -14.191 -12.940 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.949 -12.429 -11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.393 -13.290 -11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.660 -13.644 -9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.995 -13.601 -11.976 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.784 -14.860 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.924 -15.315 -12.451 1.00 0.00 H new ATOM 565 N GLY A 35 8.964 -18.690 -11.495 1.00 0.00 N ATOM 566 CA GLY A 35 9.305 -20.064 -11.166 1.00 0.00 C ATOM 567 C GLY A 35 9.597 -20.254 -9.689 1.00 0.00 C ATOM 568 O GLY A 35 10.703 -20.648 -9.316 1.00 0.00 O ATOM 0 H GLY A 35 8.343 -18.233 -10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.483 -20.718 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.176 -20.368 -11.747 1.00 0.00 H new ATOM 572 N LEU A 36 8.600 -19.976 -8.849 1.00 0.00 N ATOM 573 CA LEU A 36 8.751 -20.121 -7.403 1.00 0.00 C ATOM 574 C LEU A 36 7.507 -20.755 -6.784 1.00 0.00 C ATOM 575 O LEU A 36 6.481 -20.094 -6.615 1.00 0.00 O ATOM 576 CB LEU A 36 9.021 -18.760 -6.755 1.00 0.00 C ATOM 577 CG LEU A 36 10.482 -18.303 -6.785 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.568 -16.798 -6.997 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.196 -18.705 -5.500 1.00 0.00 C ATOM 0 H LEU A 36 7.680 -19.649 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 36 9.601 -20.778 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.411 -18.009 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.690 -18.797 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 36 10.978 -18.796 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.614 -16.492 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.097 -16.537 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.055 -16.286 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.233 -18.372 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.699 -18.242 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.168 -19.789 -5.392 1.00 0.00 H new ATOM 591 N HIS A 37 7.606 -22.038 -6.440 1.00 0.00 N ATOM 592 CA HIS A 37 6.488 -22.755 -5.830 1.00 0.00 C ATOM 593 C HIS A 37 6.416 -22.472 -4.330 1.00 0.00 C ATOM 594 O HIS A 37 5.327 -22.370 -3.765 1.00 0.00 O ATOM 595 CB HIS A 37 6.612 -24.262 -6.073 1.00 0.00 C ATOM 596 CG HIS A 37 5.304 -24.924 -6.376 1.00 0.00 C ATOM 597 ND1 HIS A 37 4.678 -25.792 -5.506 1.00 0.00 N ATOM 598 CD2 HIS A 37 4.500 -24.839 -7.463 1.00 0.00 C ATOM 599 CE1 HIS A 37 3.547 -26.213 -6.045 1.00 0.00 C ATOM 600 NE2 HIS A 37 3.416 -25.649 -7.230 1.00 0.00 N ATOM 0 H HIS A 37 8.446 -22.601 -6.573 1.00 0.00 H new ATOM 0 HA HIS A 37 5.569 -22.400 -6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.299 -24.434 -6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.052 -24.730 -5.192 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.678 -24.245 -8.347 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.849 -26.902 -5.592 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.635 -25.792 -7.870 1.00 0.00 H new ATOM 609 N ASP A 38 7.583 -22.342 -3.693 1.00 0.00 N ATOM 610 CA ASP A 38 7.650 -22.064 -2.258 1.00 0.00 C ATOM 611 C ASP A 38 6.927 -20.761 -1.913 1.00 0.00 C ATOM 612 O ASP A 38 6.286 -20.658 -0.866 1.00 0.00 O ATOM 613 CB ASP A 38 9.107 -21.986 -1.792 1.00 0.00 C ATOM 614 CG ASP A 38 9.345 -22.754 -0.506 1.00 0.00 C ATOM 615 OD1 ASP A 38 9.579 -23.977 -0.579 1.00 0.00 O ATOM 616 OD2 ASP A 38 9.297 -22.131 0.574 1.00 0.00 O ATOM 0 H ASP A 38 8.492 -22.425 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 38 7.152 -22.884 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.757 -22.380 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.383 -20.942 -1.645 1.00 0.00 H new ATOM 621 N TYR A 39 7.030 -19.770 -2.801 1.00 0.00 N ATOM 622 CA TYR A 39 6.383 -18.475 -2.590 1.00 0.00 C ATOM 623 C TYR A 39 4.859 -18.612 -2.557 1.00 0.00 C ATOM 624 O TYR A 39 4.183 -17.892 -1.825 1.00 0.00 O ATOM 625 CB TYR A 39 6.793 -17.489 -3.686 1.00 0.00 C ATOM 626 CG TYR A 39 6.781 -16.045 -3.235 1.00 0.00 C ATOM 627 CD1 TYR A 39 5.616 -15.289 -3.287 1.00 0.00 C ATOM 628 CD2 TYR A 39 7.934 -15.437 -2.754 1.00 0.00 C ATOM 629 CE1 TYR A 39 5.602 -13.971 -2.872 1.00 0.00 C ATOM 630 CE2 TYR A 39 7.927 -14.121 -2.338 1.00 0.00 C ATOM 631 CZ TYR A 39 6.759 -13.391 -2.399 1.00 0.00 C ATOM 632 OH TYR A 39 6.748 -12.079 -1.985 1.00 0.00 O ATOM 0 H TYR A 39 7.555 -19.840 -3.673 1.00 0.00 H new ATOM 0 HA TYR A 39 6.712 -18.094 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.793 -17.743 -4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.119 -17.602 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.707 -15.739 -3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.852 -16.004 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.688 -13.398 -2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.833 -13.665 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 39 7.644 -11.825 -1.679 1.00 0.00 H new ATOM 642 N HIS A 40 4.324 -19.539 -3.352 1.00 0.00 N ATOM 643 CA HIS A 40 2.879 -19.765 -3.403 1.00 0.00 C ATOM 644 C HIS A 40 2.401 -20.648 -2.240 1.00 0.00 C ATOM 645 O HIS A 40 1.198 -20.866 -2.077 1.00 0.00 O ATOM 646 CB HIS A 40 2.496 -20.406 -4.742 1.00 0.00 C ATOM 647 CG HIS A 40 1.018 -20.432 -5.005 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.246 -21.565 -4.851 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.173 -19.459 -5.424 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.008 -21.289 -5.166 1.00 0.00 C ATOM 651 NE2 HIS A 40 -1.078 -20.018 -5.515 1.00 0.00 N ATOM 0 H HIS A 40 4.867 -20.144 -3.968 1.00 0.00 H new ATOM 0 HA HIS A 40 2.387 -18.797 -3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.989 -19.862 -5.548 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.877 -21.427 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.435 -18.435 -5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.834 -21.985 -5.142 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.925 -19.530 -5.806 1.00 0.00 H new ATOM 660 N ASP A 41 3.340 -21.159 -1.436 1.00 0.00 N ATOM 661 CA ASP A 41 2.995 -22.016 -0.304 1.00 0.00 C ATOM 662 C ASP A 41 2.852 -21.209 0.986 1.00 0.00 C ATOM 663 O ASP A 41 1.763 -21.136 1.556 1.00 0.00 O ATOM 664 CB ASP A 41 4.045 -23.117 -0.127 1.00 0.00 C ATOM 665 CG ASP A 41 3.431 -24.442 0.283 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.481 -24.893 -0.394 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.899 -25.031 1.279 1.00 0.00 O ATOM 0 H ASP A 41 4.340 -20.993 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 41 2.031 -22.477 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.592 -23.247 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.769 -22.807 0.626 1.00 0.00 H new ATOM 672 N ILE A 42 3.951 -20.609 1.447 1.00 0.00 N ATOM 673 CA ILE A 42 3.929 -19.816 2.680 1.00 0.00 C ATOM 674 C ILE A 42 3.005 -18.605 2.548 1.00 0.00 C ATOM 675 O ILE A 42 2.244 -18.294 3.467 1.00 0.00 O ATOM 676 CB ILE A 42 5.338 -19.322 3.084 1.00 0.00 C ATOM 677 CG1 ILE A 42 6.344 -20.477 3.068 1.00 0.00 C ATOM 678 CG2 ILE A 42 5.295 -18.673 4.462 1.00 0.00 C ATOM 679 CD1 ILE A 42 7.595 -20.177 2.271 1.00 0.00 C ATOM 0 H ILE A 42 4.862 -20.656 0.990 1.00 0.00 H new ATOM 0 HA ILE A 42 3.554 -20.482 3.457 1.00 0.00 H new ATOM 0 HB ILE A 42 5.663 -18.578 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.625 -20.718 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.862 -21.362 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.293 -18.330 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.612 -17.824 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.949 -19.401 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.262 -21.038 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.325 -19.965 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.100 -19.311 2.699 1.00 0.00 H new ATOM 691 N ILE A 43 3.079 -17.923 1.406 1.00 0.00 N ATOM 692 CA ILE A 43 2.251 -16.746 1.164 1.00 0.00 C ATOM 693 C ILE A 43 0.787 -17.137 0.949 1.00 0.00 C ATOM 694 O ILE A 43 -0.089 -16.714 1.705 1.00 0.00 O ATOM 695 CB ILE A 43 2.755 -15.936 -0.054 1.00 0.00 C ATOM 696 CG1 ILE A 43 4.265 -15.691 0.045 1.00 0.00 C ATOM 697 CG2 ILE A 43 2.008 -14.614 -0.160 1.00 0.00 C ATOM 698 CD1 ILE A 43 4.687 -14.948 1.296 1.00 0.00 C ATOM 0 H ILE A 43 3.703 -18.166 0.636 1.00 0.00 H new ATOM 0 HA ILE A 43 2.325 -16.118 2.052 1.00 0.00 H new ATOM 0 HB ILE A 43 2.561 -16.518 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.781 -16.650 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.589 -15.125 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.375 -14.057 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.942 -14.807 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.171 -14.030 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.769 -14.814 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.200 -13.973 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.396 -15.522 2.176 1.00 0.00 H new ATOM 710 N LYS A 44 0.535 -17.943 -0.090 1.00 0.00 N ATOM 711 CA LYS A 44 -0.813 -18.411 -0.434 1.00 0.00 C ATOM 712 C LYS A 44 -1.616 -17.348 -1.194 1.00 0.00 C ATOM 713 O LYS A 44 -2.476 -17.686 -2.012 1.00 0.00 O ATOM 714 CB LYS A 44 -1.571 -18.848 0.822 1.00 0.00 C ATOM 715 CG LYS A 44 -2.353 -20.142 0.645 1.00 0.00 C ATOM 716 CD LYS A 44 -3.715 -19.895 0.012 1.00 0.00 C ATOM 717 CE LYS A 44 -4.026 -20.921 -1.069 1.00 0.00 C ATOM 718 NZ LYS A 44 -4.651 -20.297 -2.270 1.00 0.00 N ATOM 0 H LYS A 44 1.261 -18.289 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.694 -19.269 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.861 -18.972 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.259 -18.055 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.782 -20.830 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.484 -20.623 1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.486 -19.931 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.741 -18.894 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.107 -21.429 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.696 -21.681 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.846 -21.031 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.541 -19.834 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.002 -19.590 -2.671 1.00 0.00 H new ATOM 732 N HIS A 45 -1.336 -16.070 -0.925 1.00 0.00 N ATOM 733 CA HIS A 45 -2.034 -14.968 -1.586 1.00 0.00 C ATOM 734 C HIS A 45 -1.138 -13.727 -1.670 1.00 0.00 C ATOM 735 O HIS A 45 -1.367 -12.734 -0.977 1.00 0.00 O ATOM 736 CB HIS A 45 -3.328 -14.637 -0.834 1.00 0.00 C ATOM 737 CG HIS A 45 -4.564 -15.151 -1.504 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.054 -14.629 -2.682 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.415 -16.145 -1.153 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.154 -15.276 -3.026 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.393 -16.201 -2.115 1.00 0.00 N ATOM 0 H HIS A 45 -0.629 -15.774 -0.252 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.283 -15.279 -2.601 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.270 -15.055 0.171 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.408 -13.555 -0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.338 -16.776 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.754 -15.081 -3.902 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.178 -16.852 -2.124 1.00 0.00 H new ATOM 750 N PRO A 46 -0.091 -13.775 -2.519 1.00 0.00 N ATOM 751 CA PRO A 46 0.852 -12.658 -2.685 1.00 0.00 C ATOM 752 C PRO A 46 0.260 -11.484 -3.468 1.00 0.00 C ATOM 753 O PRO A 46 -0.702 -11.649 -4.221 1.00 0.00 O ATOM 754 CB PRO A 46 2.009 -13.294 -3.457 1.00 0.00 C ATOM 755 CG PRO A 46 1.387 -14.409 -4.225 1.00 0.00 C ATOM 756 CD PRO A 46 0.260 -14.927 -3.373 1.00 0.00 C ATOM 0 HA PRO A 46 1.140 -12.225 -1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.485 -12.573 -4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.781 -13.662 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.017 -14.059 -5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.114 -15.195 -4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.586 -15.248 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.570 -15.787 -2.779 1.00 0.00 H new ATOM 764 N MET A 47 0.846 -10.295 -3.283 1.00 0.00 N ATOM 765 CA MET A 47 0.381 -9.087 -3.970 1.00 0.00 C ATOM 766 C MET A 47 1.518 -8.077 -4.155 1.00 0.00 C ATOM 767 O MET A 47 2.591 -8.219 -3.564 1.00 0.00 O ATOM 768 CB MET A 47 -0.765 -8.435 -3.187 1.00 0.00 C ATOM 769 CG MET A 47 -2.140 -8.962 -3.567 1.00 0.00 C ATOM 770 SD MET A 47 -3.467 -8.199 -2.613 1.00 0.00 S ATOM 771 CE MET A 47 -4.333 -7.295 -3.894 1.00 0.00 C ATOM 0 H MET A 47 1.642 -10.145 -2.664 1.00 0.00 H new ATOM 0 HA MET A 47 0.023 -9.385 -4.955 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.605 -8.598 -2.121 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.740 -7.358 -3.352 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.312 -8.783 -4.628 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.165 -10.041 -3.417 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.362 -7.116 -3.581 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.835 -6.341 -4.066 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.330 -7.877 -4.816 1.00 0.00 H new ATOM 781 N ASP A 48 1.271 -7.059 -4.986 1.00 0.00 N ATOM 782 CA ASP A 48 2.267 -6.021 -5.264 1.00 0.00 C ATOM 783 C ASP A 48 1.600 -4.669 -5.540 1.00 0.00 C ATOM 784 O ASP A 48 0.385 -4.594 -5.730 1.00 0.00 O ATOM 785 CB ASP A 48 3.123 -6.427 -6.465 1.00 0.00 C ATOM 786 CG ASP A 48 2.274 -6.833 -7.656 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.778 -7.979 -7.670 1.00 0.00 O ATOM 788 OD2 ASP A 48 2.096 -6.000 -8.567 1.00 0.00 O ATOM 0 H ASP A 48 0.387 -6.932 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 48 2.899 -5.917 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.770 -5.596 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.773 -7.256 -6.184 1.00 0.00 H new ATOM 793 N LEU A 49 2.407 -3.604 -5.563 1.00 0.00 N ATOM 794 CA LEU A 49 1.899 -2.253 -5.815 1.00 0.00 C ATOM 795 C LEU A 49 1.344 -2.103 -7.234 1.00 0.00 C ATOM 796 O LEU A 49 0.405 -1.336 -7.454 1.00 0.00 O ATOM 797 CB LEU A 49 2.996 -1.209 -5.579 1.00 0.00 C ATOM 798 CG LEU A 49 2.862 -0.417 -4.276 1.00 0.00 C ATOM 799 CD1 LEU A 49 3.607 -1.116 -3.149 1.00 0.00 C ATOM 800 CD2 LEU A 49 3.372 1.009 -4.458 1.00 0.00 C ATOM 0 H LEU A 49 3.414 -3.652 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 49 1.082 -2.086 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.963 -1.712 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.997 -0.509 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 49 1.806 -0.368 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.501 -0.539 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.192 -2.113 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.663 -1.198 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.268 1.555 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.422 0.985 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.791 1.507 -5.234 1.00 0.00 H new ATOM 812 N SER A 50 1.927 -2.825 -8.198 1.00 0.00 N ATOM 813 CA SER A 50 1.473 -2.747 -9.589 1.00 0.00 C ATOM 814 C SER A 50 -0.001 -3.128 -9.711 1.00 0.00 C ATOM 815 O SER A 50 -0.752 -2.496 -10.457 1.00 0.00 O ATOM 816 CB SER A 50 2.315 -3.652 -10.493 1.00 0.00 C ATOM 817 OG SER A 50 2.610 -3.006 -11.720 1.00 0.00 O ATOM 0 H SER A 50 2.707 -3.464 -8.042 1.00 0.00 H new ATOM 0 HA SER A 50 1.595 -1.713 -9.912 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.242 -3.919 -9.986 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.778 -4.581 -10.686 1.00 0.00 H new ATOM 0 HG SER A 50 3.150 -3.601 -12.281 1.00 0.00 H new ATOM 823 N THR A 51 -0.413 -4.158 -8.971 1.00 0.00 N ATOM 824 CA THR A 51 -1.802 -4.611 -8.998 1.00 0.00 C ATOM 825 C THR A 51 -2.718 -3.600 -8.307 1.00 0.00 C ATOM 826 O THR A 51 -3.873 -3.429 -8.703 1.00 0.00 O ATOM 827 CB THR A 51 -1.943 -5.989 -8.340 1.00 0.00 C ATOM 828 OG1 THR A 51 -0.792 -6.781 -8.576 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.136 -6.767 -8.847 1.00 0.00 C ATOM 0 H THR A 51 0.193 -4.692 -8.348 1.00 0.00 H new ATOM 0 HA THR A 51 -2.103 -4.695 -10.042 1.00 0.00 H new ATOM 0 HB THR A 51 -2.075 -5.789 -7.277 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.902 -7.655 -8.146 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.181 -7.733 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.049 -6.208 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.039 -6.922 -9.922 1.00 0.00 H new ATOM 837 N VAL A 52 -2.194 -2.923 -7.282 1.00 0.00 N ATOM 838 CA VAL A 52 -2.964 -1.918 -6.550 1.00 0.00 C ATOM 839 C VAL A 52 -3.362 -0.758 -7.470 1.00 0.00 C ATOM 840 O VAL A 52 -4.459 -0.209 -7.351 1.00 0.00 O ATOM 841 CB VAL A 52 -2.175 -1.360 -5.343 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.038 -0.398 -4.541 1.00 0.00 C ATOM 843 CG2 VAL A 52 -1.662 -2.490 -4.456 1.00 0.00 C ATOM 0 H VAL A 52 -1.241 -3.053 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.861 -2.415 -6.181 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.312 -0.814 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.467 -0.015 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.345 0.432 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.922 -0.921 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.111 -2.070 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.505 -3.072 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.003 -3.137 -5.035 1.00 0.00 H new ATOM 853 N LYS A 53 -2.464 -0.398 -8.391 1.00 0.00 N ATOM 854 CA LYS A 53 -2.720 0.688 -9.336 1.00 0.00 C ATOM 855 C LYS A 53 -3.899 0.350 -10.248 1.00 0.00 C ATOM 856 O LYS A 53 -4.783 1.180 -10.466 1.00 0.00 O ATOM 857 CB LYS A 53 -1.471 0.965 -10.181 1.00 0.00 C ATOM 858 CG LYS A 53 -1.465 2.341 -10.831 1.00 0.00 C ATOM 859 CD LYS A 53 -0.551 3.306 -10.091 1.00 0.00 C ATOM 860 CE LYS A 53 -0.910 4.754 -10.388 1.00 0.00 C ATOM 861 NZ LYS A 53 0.300 5.595 -10.612 1.00 0.00 N ATOM 0 H LYS A 53 -1.553 -0.844 -8.501 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.969 1.582 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.587 0.867 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.393 0.205 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.139 2.253 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.479 2.740 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.622 3.125 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.484 3.121 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.549 4.795 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.486 5.162 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.110 6.282 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.537 6.103 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.099 4.988 -10.887 1.00 0.00 H new ATOM 875 N ARG A 54 -3.905 -0.876 -10.774 1.00 0.00 N ATOM 876 CA ARG A 54 -4.975 -1.334 -11.662 1.00 0.00 C ATOM 877 C ARG A 54 -6.338 -1.262 -10.971 1.00 0.00 C ATOM 878 O ARG A 54 -7.352 -0.981 -11.612 1.00 0.00 O ATOM 879 CB ARG A 54 -4.700 -2.766 -12.135 1.00 0.00 C ATOM 880 CG ARG A 54 -3.370 -2.928 -12.860 1.00 0.00 C ATOM 881 CD ARG A 54 -2.918 -4.381 -12.888 1.00 0.00 C ATOM 882 NE ARG A 54 -3.252 -5.036 -14.151 1.00 0.00 N ATOM 883 CZ ARG A 54 -2.620 -4.803 -15.306 1.00 0.00 C ATOM 884 NH1 ARG A 54 -1.623 -3.922 -15.366 1.00 0.00 N ATOM 885 NH2 ARG A 54 -2.991 -5.449 -16.405 1.00 0.00 N ATOM 0 H ARG A 54 -3.179 -1.571 -10.600 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.997 -0.671 -12.527 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.717 -3.433 -11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.506 -3.081 -12.798 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.464 -2.556 -13.880 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.611 -2.320 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.841 -4.428 -12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.385 -4.922 -12.065 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.015 -5.713 -14.151 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.336 -3.419 -14.527 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.146 -3.751 -16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.757 -6.122 -16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.510 -5.273 -17.287 1.00 0.00 H new ATOM 899 N LYS A 55 -6.355 -1.509 -9.659 1.00 0.00 N ATOM 900 CA LYS A 55 -7.595 -1.464 -8.885 1.00 0.00 C ATOM 901 C LYS A 55 -8.220 -0.070 -8.933 1.00 0.00 C ATOM 902 O LYS A 55 -9.424 0.068 -9.148 1.00 0.00 O ATOM 903 CB LYS A 55 -7.331 -1.863 -7.432 1.00 0.00 C ATOM 904 CG LYS A 55 -7.274 -3.365 -7.210 1.00 0.00 C ATOM 905 CD LYS A 55 -6.167 -3.742 -6.240 1.00 0.00 C ATOM 906 CE LYS A 55 -6.358 -5.149 -5.698 1.00 0.00 C ATOM 907 NZ LYS A 55 -5.627 -6.159 -6.512 1.00 0.00 N ATOM 0 H LYS A 55 -5.526 -1.742 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.294 -2.173 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.388 -1.421 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.113 -1.441 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.232 -3.714 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.112 -3.869 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.202 -3.672 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.148 -3.032 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.009 -5.192 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.420 -5.392 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.849 -7.113 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.917 -6.078 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.603 -5.992 -6.435 1.00 0.00 H new ATOM 921 N MET A 56 -7.395 0.960 -8.738 1.00 0.00 N ATOM 922 CA MET A 56 -7.873 2.344 -8.764 1.00 0.00 C ATOM 923 C MET A 56 -8.419 2.708 -10.145 1.00 0.00 C ATOM 924 O MET A 56 -9.380 3.470 -10.260 1.00 0.00 O ATOM 925 CB MET A 56 -6.748 3.308 -8.380 1.00 0.00 C ATOM 926 CG MET A 56 -6.284 3.168 -6.939 1.00 0.00 C ATOM 927 SD MET A 56 -5.747 4.736 -6.226 1.00 0.00 S ATOM 928 CE MET A 56 -6.426 4.608 -4.574 1.00 0.00 C ATOM 0 H MET A 56 -6.395 0.863 -8.561 1.00 0.00 H new ATOM 0 HA MET A 56 -8.680 2.432 -8.037 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.899 3.143 -9.043 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.087 4.331 -8.545 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.096 2.759 -6.338 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.463 2.453 -6.894 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.869 5.259 -3.900 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.473 4.910 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.350 3.577 -4.228 1.00 0.00 H new ATOM 938 N GLU A 57 -7.802 2.153 -11.190 1.00 0.00 N ATOM 939 CA GLU A 57 -8.229 2.409 -12.566 1.00 0.00 C ATOM 940 C GLU A 57 -9.556 1.714 -12.876 1.00 0.00 C ATOM 941 O GLU A 57 -10.307 2.157 -13.746 1.00 0.00 O ATOM 942 CB GLU A 57 -7.159 1.938 -13.552 1.00 0.00 C ATOM 943 CG GLU A 57 -5.934 2.837 -13.599 1.00 0.00 C ATOM 944 CD GLU A 57 -4.832 2.295 -14.493 1.00 0.00 C ATOM 945 OE1 GLU A 57 -4.705 1.055 -14.604 1.00 0.00 O ATOM 946 OE2 GLU A 57 -4.094 3.112 -15.082 1.00 0.00 O ATOM 0 H GLU A 57 -7.004 1.523 -11.109 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.371 3.484 -12.673 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.848 0.929 -13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.596 1.881 -14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.229 3.825 -13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.545 2.964 -12.589 1.00 0.00 H new ATOM 953 N ASN A 58 -9.842 0.625 -12.159 1.00 0.00 N ATOM 954 CA ASN A 58 -11.074 -0.126 -12.355 1.00 0.00 C ATOM 955 C ASN A 58 -12.112 0.229 -11.286 1.00 0.00 C ATOM 956 O ASN A 58 -13.221 -0.308 -11.291 1.00 0.00 O ATOM 957 CB ASN A 58 -10.783 -1.632 -12.328 1.00 0.00 C ATOM 958 CG ASN A 58 -10.885 -2.272 -13.703 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.506 -3.322 -13.864 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.274 -1.643 -14.705 1.00 0.00 N ATOM 0 H ASN A 58 -9.231 0.246 -11.435 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.484 0.142 -13.329 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.783 -1.798 -11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.483 -2.121 -11.651 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.311 -2.030 -15.648 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.769 -0.774 -14.530 1.00 0.00 H new ATOM 967 N ARG A 59 -11.745 1.134 -10.366 1.00 0.00 N ATOM 968 CA ARG A 59 -12.636 1.556 -9.294 1.00 0.00 C ATOM 969 C ARG A 59 -12.899 0.408 -8.314 1.00 0.00 C ATOM 970 O ARG A 59 -13.993 0.282 -7.760 1.00 0.00 O ATOM 971 CB ARG A 59 -13.948 2.082 -9.877 1.00 0.00 C ATOM 972 CG ARG A 59 -14.734 2.953 -8.912 1.00 0.00 C ATOM 973 CD ARG A 59 -15.988 3.523 -9.557 1.00 0.00 C ATOM 974 NE ARG A 59 -16.222 4.919 -9.179 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.310 5.613 -9.527 1.00 0.00 C ATOM 976 NH1 ARG A 59 -18.269 5.046 -10.255 1.00 0.00 N ATOM 977 NH2 ARG A 59 -17.440 6.878 -9.144 1.00 0.00 N ATOM 0 H ARG A 59 -10.830 1.585 -10.350 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.152 2.361 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.732 2.656 -10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.567 1.237 -10.178 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.011 2.366 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.102 3.769 -8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.901 3.452 -10.641 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.849 2.921 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.513 5.389 -8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.177 4.074 -10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.096 5.583 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.710 7.319 -8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.270 7.408 -9.409 1.00 0.00 H new ATOM 991 N ASP A 60 -11.877 -0.421 -8.096 1.00 0.00 N ATOM 992 CA ASP A 60 -11.983 -1.553 -7.179 1.00 0.00 C ATOM 993 C ASP A 60 -11.994 -1.085 -5.721 1.00 0.00 C ATOM 994 O ASP A 60 -12.559 -1.753 -4.852 1.00 0.00 O ATOM 995 CB ASP A 60 -10.825 -2.526 -7.407 1.00 0.00 C ATOM 996 CG ASP A 60 -11.036 -3.853 -6.705 1.00 0.00 C ATOM 997 OD1 ASP A 60 -11.974 -4.584 -7.086 1.00 0.00 O ATOM 998 OD2 ASP A 60 -10.262 -4.162 -5.776 1.00 0.00 O ATOM 0 H ASP A 60 -10.965 -0.328 -8.544 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.925 -2.062 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.705 -2.699 -8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.899 -2.074 -7.052 1.00 0.00 H new ATOM 1003 N TYR A 61 -11.380 0.071 -5.463 1.00 0.00 N ATOM 1004 CA TYR A 61 -11.327 0.634 -4.124 1.00 0.00 C ATOM 1005 C TYR A 61 -12.460 1.635 -3.927 1.00 0.00 C ATOM 1006 O TYR A 61 -12.225 2.817 -3.662 1.00 0.00 O ATOM 1007 CB TYR A 61 -9.976 1.313 -3.883 1.00 0.00 C ATOM 1008 CG TYR A 61 -8.823 0.345 -3.746 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -8.798 -0.600 -2.727 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -7.757 0.382 -4.634 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -7.742 -1.481 -2.599 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -6.697 -0.494 -4.511 1.00 0.00 C ATOM 1013 CZ TYR A 61 -6.694 -1.422 -3.492 1.00 0.00 C ATOM 1014 OH TYR A 61 -5.637 -2.293 -3.365 1.00 0.00 O ATOM 0 H TYR A 61 -10.911 0.634 -6.173 1.00 0.00 H new ATOM 0 HA TYR A 61 -11.444 -0.175 -3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.770 1.995 -4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.040 1.918 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.617 -0.646 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.757 1.108 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.738 -2.212 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.874 -0.452 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.974 -3.187 -3.149 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.694 1.149 -4.047 1.00 0.00 N ATOM 1025 CA ARG A 62 -14.873 1.995 -3.871 1.00 0.00 C ATOM 1026 C ARG A 62 -14.976 2.510 -2.433 1.00 0.00 C ATOM 1027 O ARG A 62 -15.793 3.387 -2.141 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.150 1.232 -4.243 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.263 -0.138 -3.590 1.00 0.00 C ATOM 1030 CD ARG A 62 -15.947 -1.252 -4.576 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.140 -2.003 -4.964 1.00 0.00 N ATOM 1032 CZ ARG A 62 -17.217 -2.767 -6.057 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -16.173 -2.886 -6.874 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -18.343 -3.415 -6.335 1.00 0.00 N ATOM 0 H ARG A 62 -13.903 0.175 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.765 2.851 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.015 1.831 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.187 1.112 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.580 -0.196 -2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.271 -0.273 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.483 -0.826 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.220 -1.932 -4.132 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.963 -1.940 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.305 -2.392 -6.668 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.241 -3.472 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.148 -3.329 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.403 -3.999 -7.169 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.145 1.963 -1.540 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.148 2.371 -0.139 1.00 0.00 C ATOM 1050 C ASP A 63 -12.731 2.381 0.432 1.00 0.00 C ATOM 1051 O ASP A 63 -11.862 1.636 -0.025 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.044 1.436 0.680 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.300 1.942 2.088 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.351 3.176 2.283 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.453 1.102 2.997 1.00 0.00 O ATOM 0 H ASP A 63 -13.464 1.238 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.544 3.385 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.997 1.312 0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.580 0.451 0.733 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.507 3.231 1.437 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.196 3.341 2.075 1.00 0.00 C ATOM 1062 C ALA A 64 -10.852 2.079 2.861 1.00 0.00 C ATOM 1063 O ALA A 64 -9.691 1.670 2.909 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.144 4.559 2.986 1.00 0.00 C ATOM 0 H ALA A 64 -13.217 3.852 1.825 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.454 3.460 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.161 4.623 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.328 5.460 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.906 4.467 3.760 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.868 1.462 3.473 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.665 0.239 4.249 1.00 0.00 C ATOM 1072 C GLN A 65 -11.018 -0.846 3.387 1.00 0.00 C ATOM 1073 O GLN A 65 -10.158 -1.591 3.858 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.994 -0.262 4.825 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.303 0.290 6.209 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.763 1.736 6.175 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -14.854 2.040 5.697 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -12.929 2.638 6.685 1.00 0.00 N ATOM 0 H GLN A 65 -12.834 1.789 3.445 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.994 0.469 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.801 0.011 4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.972 -1.351 4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.075 -0.322 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.413 0.211 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.033 2.343 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.186 3.625 6.689 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.426 -0.917 2.118 1.00 0.00 N ATOM 1088 CA GLU A 66 -10.875 -1.898 1.185 1.00 0.00 C ATOM 1089 C GLU A 66 -9.397 -1.614 0.906 1.00 0.00 C ATOM 1090 O GLU A 66 -8.580 -2.533 0.852 1.00 0.00 O ATOM 1091 CB GLU A 66 -11.662 -1.886 -0.128 1.00 0.00 C ATOM 1092 CG GLU A 66 -12.080 -3.271 -0.599 1.00 0.00 C ATOM 1093 CD GLU A 66 -11.067 -3.910 -1.534 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -10.589 -3.219 -2.459 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -10.756 -5.103 -1.342 1.00 0.00 O ATOM 0 H GLU A 66 -12.136 -0.306 1.714 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.960 -2.884 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.552 -1.270 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.055 -1.416 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.223 -3.916 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.042 -3.201 -1.107 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.063 -0.333 0.735 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.684 0.076 0.466 1.00 0.00 C ATOM 1104 C PHE A 67 -6.769 -0.250 1.647 1.00 0.00 C ATOM 1105 O PHE A 67 -5.628 -0.673 1.456 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.623 1.575 0.156 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.297 2.030 -0.394 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.958 1.785 -1.715 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.393 2.706 0.412 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.743 2.204 -2.223 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.177 3.128 -0.091 1.00 0.00 C ATOM 1112 CZ PHE A 67 -3.851 2.877 -1.410 1.00 0.00 C ATOM 0 H PHE A 67 -9.729 0.438 0.778 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.334 -0.483 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.406 1.820 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.839 2.134 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.652 1.260 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.642 2.905 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.491 2.006 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.482 3.654 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.901 3.206 -1.805 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.275 -0.051 2.866 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.498 -0.325 4.075 1.00 0.00 C ATOM 1124 C ALA A 68 -6.288 -1.825 4.271 1.00 0.00 C ATOM 1125 O ALA A 68 -5.193 -2.264 4.625 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.178 0.276 5.297 1.00 0.00 C ATOM 0 H ALA A 68 -8.217 0.298 3.041 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.520 0.141 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.585 0.061 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.265 1.355 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.172 -0.158 5.411 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.344 -2.608 4.040 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.272 -4.061 4.193 1.00 0.00 C ATOM 1134 C ALA A 69 -6.276 -4.674 3.210 1.00 0.00 C ATOM 1135 O ALA A 69 -5.550 -5.608 3.555 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.648 -4.688 4.013 1.00 0.00 C ATOM 0 H ALA A 69 -8.257 -2.260 3.747 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.921 -4.271 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.573 -5.769 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.331 -4.288 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.026 -4.457 3.017 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.248 -4.145 1.986 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.340 -4.645 0.956 1.00 0.00 C ATOM 1144 C ASP A 70 -3.879 -4.410 1.340 1.00 0.00 C ATOM 1145 O ASP A 70 -3.026 -5.268 1.107 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.648 -3.985 -0.393 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.711 -4.736 -1.177 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.746 -5.101 -0.581 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.509 -4.956 -2.389 1.00 0.00 O ATOM 0 H ASP A 70 -6.842 -3.373 1.685 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.495 -5.720 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.980 -2.960 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.734 -3.931 -0.985 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.594 -3.250 1.933 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.232 -2.919 2.348 1.00 0.00 C ATOM 1156 C VAL A 71 -1.763 -3.844 3.472 1.00 0.00 C ATOM 1157 O VAL A 71 -0.649 -4.367 3.428 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.109 -1.451 2.813 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.659 -1.109 3.124 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.670 -0.500 1.762 1.00 0.00 C ATOM 0 H VAL A 71 -4.285 -2.528 2.136 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.597 -3.058 1.473 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.695 -1.333 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.592 -0.071 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.293 -1.762 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.052 -1.248 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.572 0.528 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.117 -0.620 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.722 -0.727 1.591 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.621 -4.049 4.474 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.290 -4.920 5.603 1.00 0.00 C ATOM 1172 C ARG A 72 -1.974 -6.339 5.123 1.00 0.00 C ATOM 1173 O ARG A 72 -1.070 -6.991 5.648 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.443 -4.953 6.614 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.075 -5.591 7.948 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.311 -6.030 8.724 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.602 -5.143 9.854 1.00 0.00 N ATOM 1178 CZ ARG A 72 -5.391 -5.474 10.883 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -5.977 -6.668 10.931 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -5.597 -4.605 11.867 1.00 0.00 N ATOM 0 H ARG A 72 -3.547 -3.625 4.526 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.404 -4.514 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.787 -3.934 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.279 -5.500 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.430 -6.452 7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.504 -4.881 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.169 -6.053 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.165 -7.046 9.091 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.177 -4.216 9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.827 -7.341 10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.577 -6.911 11.720 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.154 -3.687 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.198 -4.856 12.652 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.723 -6.809 4.122 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.518 -8.148 3.572 1.00 0.00 C ATOM 1196 C LEU A 73 -1.168 -8.253 2.862 1.00 0.00 C ATOM 1197 O LEU A 73 -0.437 -9.227 3.049 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.646 -8.507 2.598 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.743 -9.993 2.238 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.711 -10.708 3.170 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -4.165 -10.169 0.785 1.00 0.00 C ATOM 0 H LEU A 73 -3.475 -6.282 3.678 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.526 -8.853 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.595 -8.191 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.509 -7.935 1.681 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.756 -10.440 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.766 -11.762 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.361 -10.616 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.700 -10.258 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.228 -11.232 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.139 -9.705 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.430 -9.696 0.133 1.00 0.00 H new ATOM 1213 N MET A 74 -0.842 -7.246 2.052 1.00 0.00 N ATOM 1214 CA MET A 74 0.423 -7.225 1.316 1.00 0.00 C ATOM 1215 C MET A 74 1.614 -7.152 2.270 1.00 0.00 C ATOM 1216 O MET A 74 2.623 -7.829 2.067 1.00 0.00 O ATOM 1217 CB MET A 74 0.461 -6.039 0.347 1.00 0.00 C ATOM 1218 CG MET A 74 1.333 -6.279 -0.876 1.00 0.00 C ATOM 1219 SD MET A 74 0.992 -5.119 -2.214 1.00 0.00 S ATOM 1220 CE MET A 74 1.728 -3.621 -1.564 1.00 0.00 C ATOM 0 H MET A 74 -1.436 -6.433 1.888 1.00 0.00 H new ATOM 0 HA MET A 74 0.492 -8.153 0.748 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.554 -5.815 0.020 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.827 -5.159 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.382 -6.199 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.177 -7.296 -1.234 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.376 -2.764 -2.138 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.444 -3.500 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.813 -3.687 -1.639 1.00 0.00 H new ATOM 1230 N PHE A 75 1.490 -6.323 3.306 1.00 0.00 N ATOM 1231 CA PHE A 75 2.558 -6.157 4.290 1.00 0.00 C ATOM 1232 C PHE A 75 2.709 -7.404 5.161 1.00 0.00 C ATOM 1233 O PHE A 75 3.828 -7.850 5.422 1.00 0.00 O ATOM 1234 CB PHE A 75 2.289 -4.931 5.168 1.00 0.00 C ATOM 1235 CG PHE A 75 2.692 -3.631 4.524 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.218 -3.285 3.268 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.546 -2.757 5.176 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.589 -2.095 2.675 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.920 -1.564 4.587 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.441 -1.233 3.336 1.00 0.00 C ATOM 0 H PHE A 75 0.661 -5.756 3.485 1.00 0.00 H new ATOM 0 HA PHE A 75 3.491 -6.008 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.227 -4.893 5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.827 -5.043 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.550 -3.955 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.924 -3.011 6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.213 -1.839 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.587 -0.891 5.106 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.732 -0.301 2.875 1.00 0.00 H new ATOM 1250 N SER A 76 1.581 -7.965 5.608 1.00 0.00 N ATOM 1251 CA SER A 76 1.602 -9.165 6.448 1.00 0.00 C ATOM 1252 C SER A 76 2.272 -10.333 5.722 1.00 0.00 C ATOM 1253 O SER A 76 2.949 -11.153 6.345 1.00 0.00 O ATOM 1254 CB SER A 76 0.183 -9.559 6.877 1.00 0.00 C ATOM 1255 OG SER A 76 -0.558 -10.097 5.794 1.00 0.00 O ATOM 0 H SER A 76 0.647 -7.609 5.403 1.00 0.00 H new ATOM 0 HA SER A 76 2.184 -8.931 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.236 -10.292 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.334 -8.685 7.274 1.00 0.00 H new ATOM 0 HG SER A 76 -0.328 -9.618 4.970 1.00 0.00 H new ATOM 1261 N ASN A 77 2.085 -10.397 4.401 1.00 0.00 N ATOM 1262 CA ASN A 77 2.677 -11.460 3.591 1.00 0.00 C ATOM 1263 C ASN A 77 4.199 -11.429 3.693 1.00 0.00 C ATOM 1264 O ASN A 77 4.840 -12.470 3.844 1.00 0.00 O ATOM 1265 CB ASN A 77 2.257 -11.316 2.123 1.00 0.00 C ATOM 1266 CG ASN A 77 0.866 -11.862 1.856 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.427 -12.817 2.497 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.164 -11.259 0.902 1.00 0.00 N ATOM 0 H ASN A 77 1.529 -9.725 3.872 1.00 0.00 H new ATOM 0 HA ASN A 77 2.315 -12.415 3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.290 -10.264 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.975 -11.838 1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.776 -11.585 0.677 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.565 -10.470 0.395 1.00 0.00 H new ATOM 1275 N CYS A 78 4.769 -10.227 3.617 1.00 0.00 N ATOM 1276 CA CYS A 78 6.217 -10.055 3.706 1.00 0.00 C ATOM 1277 C CYS A 78 6.751 -10.548 5.051 1.00 0.00 C ATOM 1278 O CYS A 78 7.808 -11.174 5.113 1.00 0.00 O ATOM 1279 CB CYS A 78 6.593 -8.585 3.503 1.00 0.00 C ATOM 1280 SG CYS A 78 8.129 -8.337 2.584 1.00 0.00 S ATOM 0 H CYS A 78 4.249 -9.358 3.494 1.00 0.00 H new ATOM 0 HA CYS A 78 6.673 -10.653 2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.782 -8.083 2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.684 -8.106 4.478 1.00 0.00 H new ATOM 0 HG CYS A 78 8.123 -7.157 2.039 1.00 0.00 H new ATOM 1286 N TYR A 79 6.011 -10.263 6.125 1.00 0.00 N ATOM 1287 CA TYR A 79 6.413 -10.681 7.466 1.00 0.00 C ATOM 1288 C TYR A 79 6.464 -12.204 7.570 1.00 0.00 C ATOM 1289 O TYR A 79 7.467 -12.769 8.009 1.00 0.00 O ATOM 1290 CB TYR A 79 5.451 -10.117 8.514 1.00 0.00 C ATOM 1291 CG TYR A 79 6.000 -8.926 9.270 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.188 -7.702 8.639 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.326 -9.026 10.617 1.00 0.00 C ATOM 1294 CE1 TYR A 79 6.685 -6.612 9.330 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.824 -7.940 11.313 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.001 -6.737 10.665 1.00 0.00 C ATOM 1297 OH TYR A 79 7.495 -5.654 11.356 1.00 0.00 O ATOM 0 H TYR A 79 5.133 -9.746 6.090 1.00 0.00 H new ATOM 0 HA TYR A 79 7.412 -10.288 7.655 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.523 -9.827 8.022 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.202 -10.904 9.226 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.942 -7.600 7.592 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.188 -9.967 11.129 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.825 -5.667 8.825 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.073 -8.034 12.360 1.00 0.00 H new ATOM 0 HH TYR A 79 7.665 -5.910 12.287 1.00 0.00 H new ATOM 1307 N LYS A 80 5.379 -12.865 7.160 1.00 0.00 N ATOM 1308 CA LYS A 80 5.309 -14.326 7.206 1.00 0.00 C ATOM 1309 C LYS A 80 6.394 -14.952 6.327 1.00 0.00 C ATOM 1310 O LYS A 80 6.937 -16.006 6.658 1.00 0.00 O ATOM 1311 CB LYS A 80 3.926 -14.815 6.764 1.00 0.00 C ATOM 1312 CG LYS A 80 3.079 -15.359 7.906 1.00 0.00 C ATOM 1313 CD LYS A 80 2.805 -16.849 7.745 1.00 0.00 C ATOM 1314 CE LYS A 80 1.394 -17.212 8.188 1.00 0.00 C ATOM 1315 NZ LYS A 80 1.237 -17.163 9.671 1.00 0.00 N ATOM 0 H LYS A 80 4.541 -12.414 6.794 1.00 0.00 H new ATOM 0 HA LYS A 80 5.477 -14.637 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.394 -13.992 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.048 -15.593 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.589 -15.183 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.134 -14.818 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.944 -17.134 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.528 -17.418 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.683 -16.527 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.150 -18.213 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.261 -17.417 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.896 -17.835 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.444 -16.202 10.010 1.00 0.00 H new ATOM 1329 N TYR A 81 6.710 -14.291 5.212 1.00 0.00 N ATOM 1330 CA TYR A 81 7.736 -14.775 4.293 1.00 0.00 C ATOM 1331 C TYR A 81 9.136 -14.571 4.882 1.00 0.00 C ATOM 1332 O TYR A 81 9.997 -15.444 4.768 1.00 0.00 O ATOM 1333 CB TYR A 81 7.624 -14.056 2.943 1.00 0.00 C ATOM 1334 CG TYR A 81 8.479 -14.663 1.847 1.00 0.00 C ATOM 1335 CD1 TYR A 81 8.393 -16.016 1.538 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.373 -13.882 1.124 1.00 0.00 C ATOM 1337 CE1 TYR A 81 9.172 -16.571 0.540 1.00 0.00 C ATOM 1338 CE2 TYR A 81 10.155 -14.430 0.124 1.00 0.00 C ATOM 1339 CZ TYR A 81 10.051 -15.775 -0.164 1.00 0.00 C ATOM 1340 OH TYR A 81 10.831 -16.323 -1.159 1.00 0.00 O ATOM 0 H TYR A 81 6.268 -13.418 4.925 1.00 0.00 H new ATOM 0 HA TYR A 81 7.578 -15.843 4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.582 -14.065 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.908 -13.012 3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.706 -16.644 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.458 -12.829 1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.093 -17.624 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.844 -13.808 -0.429 1.00 0.00 H new ATOM 0 HH TYR A 81 11.393 -15.625 -1.555 1.00 0.00 H new ATOM 1350 N ASN A 82 9.355 -13.413 5.510 1.00 0.00 N ATOM 1351 CA ASN A 82 10.649 -13.095 6.113 1.00 0.00 C ATOM 1352 C ASN A 82 10.476 -12.241 7.372 1.00 0.00 C ATOM 1353 O ASN A 82 9.973 -11.119 7.298 1.00 0.00 O ATOM 1354 CB ASN A 82 11.535 -12.358 5.104 1.00 0.00 C ATOM 1355 CG ASN A 82 12.372 -13.302 4.263 1.00 0.00 C ATOM 1356 OD1 ASN A 82 12.013 -13.624 3.131 1.00 0.00 O ATOM 1357 ND2 ASN A 82 13.497 -13.749 4.812 1.00 0.00 N ATOM 0 H ASN A 82 8.652 -12.681 5.613 1.00 0.00 H new ATOM 0 HA ASN A 82 11.127 -14.032 6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.908 -11.753 4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.193 -11.672 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.101 -14.385 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.756 -13.456 5.754 1.00 0.00 H new ATOM 1364 N PRO A 83 10.893 -12.760 8.548 1.00 0.00 N ATOM 1365 CA PRO A 83 10.784 -12.033 9.825 1.00 0.00 C ATOM 1366 C PRO A 83 11.497 -10.679 9.790 1.00 0.00 C ATOM 1367 O PRO A 83 12.431 -10.483 9.008 1.00 0.00 O ATOM 1368 CB PRO A 83 11.474 -12.963 10.830 1.00 0.00 C ATOM 1369 CG PRO A 83 11.408 -14.315 10.209 1.00 0.00 C ATOM 1370 CD PRO A 83 11.502 -14.092 8.726 1.00 0.00 C ATOM 0 HA PRO A 83 9.746 -11.807 10.070 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.506 -12.659 11.006 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.968 -12.947 11.795 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.223 -14.947 10.561 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.478 -14.820 10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.535 -14.112 8.380 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.964 -14.859 8.168 1.00 0.00 H new ATOM 1378 N PRO A 84 11.063 -9.722 10.638 1.00 0.00 N ATOM 1379 CA PRO A 84 11.667 -8.387 10.694 1.00 0.00 C ATOM 1380 C PRO A 84 13.114 -8.418 11.165 1.00 0.00 C ATOM 1381 O PRO A 84 13.405 -8.781 12.306 1.00 0.00 O ATOM 1382 CB PRO A 84 10.796 -7.622 11.689 1.00 0.00 C ATOM 1383 CG PRO A 84 10.108 -8.668 12.497 1.00 0.00 C ATOM 1384 CD PRO A 84 9.956 -9.867 11.600 1.00 0.00 C ATOM 0 HA PRO A 84 11.701 -7.927 9.707 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.400 -6.971 12.321 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.076 -6.987 11.174 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.690 -8.918 13.384 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.136 -8.315 12.842 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.031 -10.799 12.160 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.988 -9.873 11.099 1.00 0.00 H new ATOM 1392 N ASP A 85 14.010 -8.028 10.269 1.00 0.00 N ATOM 1393 CA ASP A 85 15.442 -7.996 10.556 1.00 0.00 C ATOM 1394 C ASP A 85 16.210 -7.375 9.392 1.00 0.00 C ATOM 1395 O ASP A 85 17.086 -6.532 9.591 1.00 0.00 O ATOM 1396 CB ASP A 85 15.970 -9.410 10.822 1.00 0.00 C ATOM 1397 CG ASP A 85 17.193 -9.413 11.717 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.275 -9.003 11.246 1.00 0.00 O ATOM 1399 OD2 ASP A 85 17.070 -9.824 12.890 1.00 0.00 O ATOM 0 H ASP A 85 13.769 -7.725 9.325 1.00 0.00 H new ATOM 0 HA ASP A 85 15.592 -7.386 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.184 -10.007 11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.217 -9.887 9.873 1.00 0.00 H new ATOM 1404 N HIS A 86 15.873 -7.807 8.177 1.00 0.00 N ATOM 1405 CA HIS A 86 16.525 -7.308 6.969 1.00 0.00 C ATOM 1406 C HIS A 86 15.957 -5.952 6.550 1.00 0.00 C ATOM 1407 O HIS A 86 15.234 -5.303 7.309 1.00 0.00 O ATOM 1408 CB HIS A 86 16.363 -8.307 5.817 1.00 0.00 C ATOM 1409 CG HIS A 86 16.421 -9.740 6.236 1.00 0.00 C ATOM 1410 ND1 HIS A 86 17.509 -10.296 6.873 1.00 0.00 N ATOM 1411 CD2 HIS A 86 15.514 -10.733 6.102 1.00 0.00 C ATOM 1412 CE1 HIS A 86 17.269 -11.573 7.111 1.00 0.00 C ATOM 1413 NE2 HIS A 86 16.065 -11.862 6.654 1.00 0.00 N ATOM 0 H HIS A 86 15.149 -8.504 8.004 1.00 0.00 H new ATOM 0 HA HIS A 86 17.584 -7.186 7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.409 -8.123 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.144 -8.124 5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.538 -10.653 5.646 1.00 0.00 H new ATOM 0 HE1 HIS A 86 17.943 -12.263 7.597 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.617 -12.777 6.703 1.00 0.00 H new ATOM 1422 N ASP A 87 16.292 -5.535 5.328 1.00 0.00 N ATOM 1423 CA ASP A 87 15.822 -4.260 4.791 1.00 0.00 C ATOM 1424 C ASP A 87 14.394 -4.373 4.264 1.00 0.00 C ATOM 1425 O ASP A 87 13.583 -3.467 4.456 1.00 0.00 O ATOM 1426 CB ASP A 87 16.746 -3.777 3.670 1.00 0.00 C ATOM 1427 CG ASP A 87 16.693 -2.272 3.491 1.00 0.00 C ATOM 1428 OD1 ASP A 87 15.630 -1.759 3.086 1.00 0.00 O ATOM 1429 OD2 ASP A 87 17.714 -1.608 3.760 1.00 0.00 O ATOM 0 H ASP A 87 16.888 -6.064 4.692 1.00 0.00 H new ATOM 0 HA ASP A 87 15.834 -3.536 5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.770 -4.079 3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.465 -4.262 2.735 1.00 0.00 H new ATOM 1434 N VAL A 88 14.098 -5.488 3.593 1.00 0.00 N ATOM 1435 CA VAL A 88 12.768 -5.722 3.025 1.00 0.00 C ATOM 1436 C VAL A 88 11.669 -5.460 4.053 1.00 0.00 C ATOM 1437 O VAL A 88 10.771 -4.650 3.817 1.00 0.00 O ATOM 1438 CB VAL A 88 12.624 -7.164 2.484 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.323 -7.315 1.708 1.00 0.00 C ATOM 1440 CG2 VAL A 88 13.818 -7.537 1.613 1.00 0.00 C ATOM 0 H VAL A 88 14.762 -6.244 3.429 1.00 0.00 H new ATOM 0 HA VAL A 88 12.657 -5.022 2.197 1.00 0.00 H new ATOM 0 HB VAL A 88 12.599 -7.847 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.238 -8.336 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.480 -7.098 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.317 -6.620 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.695 -8.555 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.881 -6.850 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.733 -7.473 2.203 1.00 0.00 H new ATOM 1450 N VAL A 89 11.747 -6.144 5.193 1.00 0.00 N ATOM 1451 CA VAL A 89 10.757 -5.976 6.254 1.00 0.00 C ATOM 1452 C VAL A 89 10.832 -4.575 6.863 1.00 0.00 C ATOM 1453 O VAL A 89 9.806 -3.990 7.214 1.00 0.00 O ATOM 1454 CB VAL A 89 10.928 -7.026 7.370 1.00 0.00 C ATOM 1455 CG1 VAL A 89 9.793 -6.919 8.377 1.00 0.00 C ATOM 1456 CG2 VAL A 89 10.997 -8.430 6.782 1.00 0.00 C ATOM 0 H VAL A 89 12.483 -6.818 5.405 1.00 0.00 H new ATOM 0 HA VAL A 89 9.780 -6.116 5.792 1.00 0.00 H new ATOM 0 HB VAL A 89 11.867 -6.829 7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.928 -7.667 9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.795 -5.924 8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.842 -7.089 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.118 -9.156 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.077 -8.642 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.846 -8.498 6.101 1.00 0.00 H new ATOM 1466 N ALA A 90 12.050 -4.038 6.975 1.00 0.00 N ATOM 1467 CA ALA A 90 12.253 -2.700 7.530 1.00 0.00 C ATOM 1468 C ALA A 90 11.451 -1.660 6.749 1.00 0.00 C ATOM 1469 O ALA A 90 10.944 -0.695 7.325 1.00 0.00 O ATOM 1470 CB ALA A 90 13.732 -2.339 7.528 1.00 0.00 C ATOM 0 H ALA A 90 12.908 -4.509 6.689 1.00 0.00 H new ATOM 0 HA ALA A 90 11.897 -2.703 8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.863 -1.340 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.283 -3.059 8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.110 -2.358 6.506 1.00 0.00 H new ATOM 1476 N MET A 91 11.333 -1.871 5.436 1.00 0.00 N ATOM 1477 CA MET A 91 10.584 -0.959 4.574 1.00 0.00 C ATOM 1478 C MET A 91 9.101 -0.962 4.945 1.00 0.00 C ATOM 1479 O MET A 91 8.481 0.096 5.068 1.00 0.00 O ATOM 1480 CB MET A 91 10.750 -1.354 3.102 1.00 0.00 C ATOM 1481 CG MET A 91 12.167 -1.190 2.572 1.00 0.00 C ATOM 1482 SD MET A 91 12.205 -0.852 0.802 1.00 0.00 S ATOM 1483 CE MET A 91 13.938 -0.469 0.567 1.00 0.00 C ATOM 0 H MET A 91 11.747 -2.666 4.948 1.00 0.00 H new ATOM 0 HA MET A 91 10.981 0.046 4.719 1.00 0.00 H new ATOM 0 HB2 MET A 91 10.445 -2.393 2.979 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.075 -0.750 2.496 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.659 -0.376 3.105 1.00 0.00 H new ATOM 0 HG3 MET A 91 12.736 -2.096 2.778 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.107 -0.168 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.224 0.345 1.233 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.539 -1.350 0.792 1.00 0.00 H new ATOM 1493 N ALA A 92 8.539 -2.160 5.127 1.00 0.00 N ATOM 1494 CA ALA A 92 7.131 -2.307 5.489 1.00 0.00 C ATOM 1495 C ALA A 92 6.834 -1.635 6.827 1.00 0.00 C ATOM 1496 O ALA A 92 5.858 -0.895 6.952 1.00 0.00 O ATOM 1497 CB ALA A 92 6.745 -3.780 5.537 1.00 0.00 C ATOM 0 H ALA A 92 9.041 -3.043 5.029 1.00 0.00 H new ATOM 0 HA ALA A 92 6.533 -1.813 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.693 -3.872 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.908 -4.231 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.357 -4.293 6.279 1.00 0.00 H new ATOM 1503 N ARG A 93 7.683 -1.889 7.824 1.00 0.00 N ATOM 1504 CA ARG A 93 7.506 -1.296 9.149 1.00 0.00 C ATOM 1505 C ARG A 93 7.528 0.232 9.069 1.00 0.00 C ATOM 1506 O ARG A 93 6.763 0.906 9.760 1.00 0.00 O ATOM 1507 CB ARG A 93 8.594 -1.790 10.110 1.00 0.00 C ATOM 1508 CG ARG A 93 8.261 -1.572 11.580 1.00 0.00 C ATOM 1509 CD ARG A 93 9.267 -2.264 12.490 1.00 0.00 C ATOM 1510 NE ARG A 93 9.436 -1.564 13.764 1.00 0.00 N ATOM 1511 CZ ARG A 93 10.463 -1.762 14.596 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.414 -2.645 14.299 1.00 0.00 N ATOM 1513 NH2 ARG A 93 10.539 -1.076 15.730 1.00 0.00 N ATOM 0 H ARG A 93 8.496 -2.499 7.739 1.00 0.00 H new ATOM 0 HA ARG A 93 6.534 -1.608 9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.761 -2.853 9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.529 -1.279 9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.248 -0.504 11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.260 -1.951 11.787 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.939 -3.286 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.229 -2.327 11.982 1.00 0.00 H new ATOM 0 HE ARG A 93 8.726 -0.883 14.034 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.363 -3.177 13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.194 -2.789 14.940 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.814 -0.398 15.966 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.322 -1.227 16.366 1.00 0.00 H new ATOM 1527 N LYS A 94 8.404 0.771 8.217 1.00 0.00 N ATOM 1528 CA LYS A 94 8.520 2.215 8.045 1.00 0.00 C ATOM 1529 C LYS A 94 7.248 2.802 7.427 1.00 0.00 C ATOM 1530 O LYS A 94 6.771 3.853 7.857 1.00 0.00 O ATOM 1531 CB LYS A 94 9.732 2.544 7.164 1.00 0.00 C ATOM 1532 CG LYS A 94 11.051 2.579 7.922 1.00 0.00 C ATOM 1533 CD LYS A 94 12.242 2.670 6.979 1.00 0.00 C ATOM 1534 CE LYS A 94 13.537 2.299 7.686 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.517 1.658 6.763 1.00 0.00 N ATOM 0 H LYS A 94 9.042 0.226 7.637 1.00 0.00 H new ATOM 0 HA LYS A 94 8.658 2.663 9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.801 1.804 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.571 3.511 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.058 3.432 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.141 1.683 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.087 2.006 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.319 3.683 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.981 3.194 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.318 1.620 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.384 1.422 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.104 0.789 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.747 2.315 5.990 1.00 0.00 H new ATOM 1549 N LEU A 95 6.700 2.116 6.422 1.00 0.00 N ATOM 1550 CA LEU A 95 5.480 2.576 5.755 1.00 0.00 C ATOM 1551 C LEU A 95 4.247 2.337 6.626 1.00 0.00 C ATOM 1552 O LEU A 95 3.300 3.123 6.593 1.00 0.00 O ATOM 1553 CB LEU A 95 5.304 1.879 4.401 1.00 0.00 C ATOM 1554 CG LEU A 95 5.103 2.822 3.208 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.361 2.881 2.354 1.00 0.00 C ATOM 1556 CD2 LEU A 95 3.907 2.384 2.371 1.00 0.00 C ATOM 0 H LEU A 95 7.079 1.244 6.053 1.00 0.00 H new ATOM 0 HA LEU A 95 5.583 3.649 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.181 1.259 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.447 1.208 4.463 1.00 0.00 H new ATOM 0 HG LEU A 95 4.903 3.822 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.198 3.555 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.193 3.246 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.594 1.884 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.782 3.066 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.075 1.374 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.007 2.398 2.986 1.00 0.00 H new ATOM 1568 N GLN A 96 4.261 1.250 7.401 1.00 0.00 N ATOM 1569 CA GLN A 96 3.138 0.916 8.278 1.00 0.00 C ATOM 1570 C GLN A 96 2.817 2.072 9.224 1.00 0.00 C ATOM 1571 O GLN A 96 1.650 2.411 9.426 1.00 0.00 O ATOM 1572 CB GLN A 96 3.439 -0.351 9.087 1.00 0.00 C ATOM 1573 CG GLN A 96 2.877 -1.617 8.461 1.00 0.00 C ATOM 1574 CD GLN A 96 3.294 -2.876 9.200 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.604 -3.331 10.112 1.00 0.00 O ATOM 1576 NE2 GLN A 96 4.428 -3.447 8.807 1.00 0.00 N ATOM 0 H GLN A 96 5.036 0.588 7.439 1.00 0.00 H new ATOM 0 HA GLN A 96 2.269 0.733 7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.519 -0.456 9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.029 -0.238 10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.789 -1.556 8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.209 -1.683 7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.969 -3.036 8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.757 -4.296 9.266 1.00 0.00 H new ATOM 1585 N ASP A 97 3.859 2.675 9.800 1.00 0.00 N ATOM 1586 CA ASP A 97 3.684 3.795 10.724 1.00 0.00 C ATOM 1587 C ASP A 97 3.073 5.001 10.016 1.00 0.00 C ATOM 1588 O ASP A 97 2.191 5.668 10.558 1.00 0.00 O ATOM 1589 CB ASP A 97 5.028 4.185 11.353 1.00 0.00 C ATOM 1590 CG ASP A 97 5.256 3.538 12.709 1.00 0.00 C ATOM 1591 OD1 ASP A 97 4.715 2.437 12.946 1.00 0.00 O ATOM 1592 OD2 ASP A 97 5.982 4.133 13.532 1.00 0.00 O ATOM 0 H ASP A 97 4.830 2.407 9.643 1.00 0.00 H new ATOM 0 HA ASP A 97 3.001 3.475 11.511 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.835 3.899 10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.072 5.269 11.461 1.00 0.00 H new ATOM 1597 N VAL A 98 3.540 5.270 8.797 1.00 0.00 N ATOM 1598 CA VAL A 98 3.029 6.392 8.016 1.00 0.00 C ATOM 1599 C VAL A 98 1.589 6.136 7.578 1.00 0.00 C ATOM 1600 O VAL A 98 0.756 7.043 7.599 1.00 0.00 O ATOM 1601 CB VAL A 98 3.899 6.672 6.773 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.458 7.961 6.091 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.374 6.736 7.151 1.00 0.00 C ATOM 0 H VAL A 98 4.268 4.728 8.332 1.00 0.00 H new ATOM 0 HA VAL A 98 3.063 7.268 8.663 1.00 0.00 H new ATOM 0 HB VAL A 98 3.766 5.851 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.083 8.142 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.417 7.871 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.558 8.794 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.970 6.934 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.529 7.535 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.679 5.785 7.587 1.00 0.00 H new ATOM 1613 N PHE A 99 1.300 4.893 7.189 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.041 4.517 6.755 1.00 0.00 C ATOM 1615 C PHE A 99 -1.038 4.648 7.904 1.00 0.00 C ATOM 1616 O PHE A 99 -2.125 5.192 7.725 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.050 3.083 6.212 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.261 2.762 5.379 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.371 3.235 4.081 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.290 1.990 5.896 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.483 2.943 3.314 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.405 1.695 5.133 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.501 2.173 3.841 1.00 0.00 C ATOM 0 H PHE A 99 1.978 4.132 7.167 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.340 5.196 5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.846 2.925 5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.000 2.386 7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.579 3.839 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.220 1.615 6.906 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.556 3.317 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.199 1.092 5.547 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.371 1.945 3.243 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.663 4.149 9.084 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.538 4.221 10.254 1.00 0.00 C ATOM 1635 C GLU A 100 -1.839 5.672 10.631 1.00 0.00 C ATOM 1636 O GLU A 100 -2.985 6.020 10.917 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.898 3.503 11.447 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.900 2.776 12.329 1.00 0.00 C ATOM 1639 CD GLU A 100 -2.389 3.631 13.482 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -1.673 3.718 14.502 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -3.485 4.215 13.365 1.00 0.00 O ATOM 0 H GLU A 100 0.234 3.694 9.253 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.475 3.728 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.164 2.786 11.078 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.356 4.231 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.752 2.465 11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.441 1.869 12.723 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.804 6.515 10.622 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.960 7.929 10.960 1.00 0.00 C ATOM 1650 C PHE A 101 -1.807 8.659 9.915 1.00 0.00 C ATOM 1651 O PHE A 101 -2.621 9.516 10.258 1.00 0.00 O ATOM 1652 CB PHE A 101 0.412 8.600 11.082 1.00 0.00 C ATOM 1653 CG PHE A 101 0.518 9.567 12.230 1.00 0.00 C ATOM 1654 CD1 PHE A 101 -0.215 10.744 12.233 1.00 0.00 C ATOM 1655 CD2 PHE A 101 1.351 9.300 13.306 1.00 0.00 C ATOM 1656 CE1 PHE A 101 -0.119 11.635 13.285 1.00 0.00 C ATOM 1657 CE2 PHE A 101 1.452 10.188 14.360 1.00 0.00 C ATOM 1658 CZ PHE A 101 0.716 11.357 14.349 1.00 0.00 C ATOM 0 H PHE A 101 0.150 6.242 10.384 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.476 7.989 11.919 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.174 7.829 11.198 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.631 9.128 10.154 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.869 10.967 11.403 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.928 8.387 13.320 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.696 12.548 13.275 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.106 9.968 15.191 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.794 12.053 15.172 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.613 8.313 8.641 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.361 8.934 7.556 1.00 0.00 C ATOM 1670 C ARG A 102 -3.800 8.414 7.511 1.00 0.00 C ATOM 1671 O ARG A 102 -4.725 9.166 7.204 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.659 8.674 6.224 1.00 0.00 C ATOM 1673 CG ARG A 102 -2.202 9.502 5.074 1.00 0.00 C ATOM 1674 CD ARG A 102 -1.340 10.728 4.803 1.00 0.00 C ATOM 1675 NE ARG A 102 -1.278 11.060 3.379 1.00 0.00 N ATOM 1676 CZ ARG A 102 -2.217 11.755 2.727 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -3.307 12.185 3.361 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -2.065 12.020 1.433 1.00 0.00 N ATOM 0 H ARG A 102 -0.943 7.605 8.339 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.399 10.008 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.595 8.881 6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.753 7.617 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.252 8.887 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.220 9.817 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.739 11.579 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.332 10.550 5.177 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.467 10.741 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.432 11.985 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.017 12.714 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.234 11.694 0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.779 12.550 0.934 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.980 7.128 7.824 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.308 6.513 7.828 1.00 0.00 C ATOM 1694 C TYR A 103 -6.203 7.128 8.908 1.00 0.00 C ATOM 1695 O TYR A 103 -7.426 7.095 8.795 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.201 5.001 8.042 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.463 4.244 7.684 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.857 4.096 6.359 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -7.261 3.679 8.671 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -8.009 3.407 6.029 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -8.414 2.987 8.348 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.782 2.854 7.028 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.928 2.163 6.703 1.00 0.00 O ATOM 0 H TYR A 103 -3.223 6.494 8.078 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.762 6.705 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.375 4.616 7.444 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.956 4.807 9.086 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.253 4.527 5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.976 3.782 9.708 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -8.302 3.302 4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -9.023 2.553 9.127 1.00 0.00 H new ATOM 0 HH TYR A 103 -10.225 1.640 7.476 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.587 7.693 9.951 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.336 8.320 11.039 1.00 0.00 C ATOM 1715 C ALA A 104 -6.840 9.707 10.635 1.00 0.00 C ATOM 1716 O ALA A 104 -7.890 10.152 11.099 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.478 8.416 12.295 1.00 0.00 C ATOM 0 H ALA A 104 -4.574 7.728 10.063 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.201 7.693 11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.053 8.885 13.093 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.175 7.416 12.606 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.592 9.015 12.085 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.085 10.386 9.767 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.459 11.721 9.301 1.00 0.00 C ATOM 1725 C LYS A 105 -7.348 11.657 8.056 1.00 0.00 C ATOM 1726 O LYS A 105 -8.082 12.603 7.768 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.208 12.554 9.004 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.714 13.356 10.198 1.00 0.00 C ATOM 1729 CD LYS A 105 -4.295 14.762 9.794 1.00 0.00 C ATOM 1730 CE LYS A 105 -2.783 14.887 9.669 1.00 0.00 C ATOM 1731 NZ LYS A 105 -2.108 14.898 10.999 1.00 0.00 N ATOM 0 H LYS A 105 -5.213 10.032 9.374 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.029 12.197 10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.411 11.891 8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.423 13.237 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.501 13.412 10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.870 12.842 10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.761 15.021 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.659 15.476 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.399 14.057 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.539 15.803 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.103 15.136 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.560 15.607 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.190 13.959 11.438 1.00 0.00 H new ATOM 1745 N MET A 106 -7.279 10.547 7.316 1.00 0.00 N ATOM 1746 CA MET A 106 -8.082 10.381 6.102 1.00 0.00 C ATOM 1747 C MET A 106 -9.572 10.629 6.368 1.00 0.00 C ATOM 1748 O MET A 106 -10.204 11.424 5.671 1.00 0.00 O ATOM 1749 CB MET A 106 -7.887 8.981 5.511 1.00 0.00 C ATOM 1750 CG MET A 106 -7.257 8.993 4.128 1.00 0.00 C ATOM 1751 SD MET A 106 -7.881 7.677 3.064 1.00 0.00 S ATOM 1752 CE MET A 106 -9.642 8.002 3.111 1.00 0.00 C ATOM 0 H MET A 106 -6.678 9.753 7.535 1.00 0.00 H new ATOM 0 HA MET A 106 -7.737 11.125 5.384 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.260 8.395 6.183 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.853 8.479 5.458 1.00 0.00 H new ATOM 0 HG2 MET A 106 -7.447 9.957 3.656 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.176 8.893 4.225 1.00 0.00 H new ATOM 0 HE1 MET A 106 -10.110 7.603 2.211 1.00 0.00 H new ATOM 0 HE2 MET A 106 -10.077 7.524 3.988 1.00 0.00 H new ATOM 0 HE3 MET A 106 -9.812 9.077 3.162 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.155 9.951 7.378 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.576 10.109 7.721 1.00 0.00 C ATOM 1764 C PRO A 107 -11.932 11.550 8.081 1.00 0.00 C ATOM 1765 O PRO A 107 -11.188 12.223 8.797 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.762 9.195 8.936 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.631 8.229 8.868 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.485 8.981 8.260 1.00 0.00 C ATOM 0 HA PRO A 107 -12.222 9.856 6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.740 9.764 9.865 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.723 8.681 8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.373 7.859 9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.894 7.361 8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.880 9.477 9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.820 8.321 7.703 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.074 12.016 7.580 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.530 13.377 7.848 1.00 0.00 C ATOM 1778 C ASP A 108 -15.054 13.463 7.791 1.00 0.00 C ATOM 1779 O ASP A 108 -15.711 13.705 8.806 1.00 0.00 O ATOM 1780 CB ASP A 108 -12.912 14.352 6.836 1.00 0.00 C ATOM 1781 CG ASP A 108 -11.668 15.038 7.371 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -11.806 15.944 8.218 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -10.556 14.672 6.936 1.00 0.00 O ATOM 0 H ASP A 108 -13.700 11.471 6.987 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.207 13.652 8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.660 13.812 5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.651 15.107 6.566 1.00 0.00 H new