USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 24 CYS SG : rot 115:sc= -0.619 USER MOD Set 1.2: A 91 TYR OH : rot -143:sc= -0.994 USER MOD Set 2.1: A 79 LYS NZ :NH3+ -156:sc= 1.97 (180deg=0.0103) USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= -1.15 USER MOD Set 3.1: A 29 THR OG1 : rot 67:sc= 1.22 USER MOD Set 3.2: A 43 TYR OH : rot 151:sc= -1.95! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.0584 X(o=0.058,f=-0.057) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0516) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -155:sc= -4.44! (180deg=-7.07!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -1.79 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= -0.0443 (180deg=-0.329) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.676 K(o=-0.68,f=-5.2!) USER MOD Single : A 48 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.54) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 51 THR OG1 : rot -19:sc= 1.12 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.351) USER MOD Single : A 58 SER OG : rot 180:sc= -0.451 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -160:sc= -2.05 USER MOD Single : A 68 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 73 THR OG1 : rot 149:sc= -0.564 USER MOD Single : A 76 LYS NZ :NH3+ -119:sc= 0.345 (180deg=-0.0158) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.35 K(o=-0.35,f=-2.8!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 1.06 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.076 -20.594 -24.246 1.00 0.00 N ATOM 2 CA GLY A 1 -11.153 -20.348 -23.246 1.00 0.00 C ATOM 3 C GLY A 1 -12.510 -20.136 -23.890 1.00 0.00 C ATOM 4 O GLY A 1 -12.924 -19.001 -24.121 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.170 -20.732 -23.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.303 -21.445 -24.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.002 -19.776 -24.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.208 -21.194 -22.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.897 -19.472 -22.650 1.00 0.00 H new ATOM 10 N ILE A 2 -13.203 -21.234 -24.178 1.00 0.00 N ATOM 11 CA ILE A 2 -14.522 -21.164 -24.797 1.00 0.00 C ATOM 12 C ILE A 2 -15.616 -20.933 -23.754 1.00 0.00 C ATOM 13 O ILE A 2 -16.493 -20.092 -23.946 1.00 0.00 O ATOM 14 CB ILE A 2 -14.848 -22.446 -25.593 1.00 0.00 C ATOM 15 CG1 ILE A 2 -13.621 -22.924 -26.371 1.00 0.00 C ATOM 16 CG2 ILE A 2 -16.015 -22.197 -26.538 1.00 0.00 C ATOM 17 CD1 ILE A 2 -13.097 -21.904 -27.359 1.00 0.00 C ATOM 0 H ILE A 2 -12.873 -22.181 -23.993 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.496 -20.318 -25.484 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.131 -23.228 -24.888 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.829 -23.175 -25.666 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.874 -23.840 -26.906 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -16.235 -23.109 -27.093 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -16.893 -21.902 -25.963 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -15.755 -21.401 -27.236 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.227 -22.310 -27.875 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.874 -21.670 -28.087 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -12.812 -20.996 -26.828 1.00 0.00 H new ATOM 29 N PRO A 3 -15.582 -21.677 -22.631 1.00 0.00 N ATOM 30 CA PRO A 3 -16.583 -21.537 -21.567 1.00 0.00 C ATOM 31 C PRO A 3 -16.618 -20.127 -20.990 1.00 0.00 C ATOM 32 O PRO A 3 -15.582 -19.566 -20.631 1.00 0.00 O ATOM 33 CB PRO A 3 -16.124 -22.537 -20.498 1.00 0.00 C ATOM 34 CG PRO A 3 -15.242 -23.497 -21.219 1.00 0.00 C ATOM 35 CD PRO A 3 -14.578 -22.705 -22.307 1.00 0.00 C ATOM 0 HA PRO A 3 -17.591 -21.724 -21.936 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.586 -22.035 -19.694 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.974 -23.047 -20.044 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.503 -23.931 -20.545 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.820 -24.323 -21.634 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.641 -22.262 -21.969 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.343 -23.326 -23.172 1.00 0.00 H new ATOM 43 N GLU A 4 -17.815 -19.557 -20.903 1.00 0.00 N ATOM 44 CA GLU A 4 -17.984 -18.212 -20.369 1.00 0.00 C ATOM 45 C GLU A 4 -19.192 -18.141 -19.441 1.00 0.00 C ATOM 46 O GLU A 4 -20.331 -18.031 -19.897 1.00 0.00 O ATOM 47 CB GLU A 4 -18.142 -17.204 -21.509 1.00 0.00 C ATOM 48 CG GLU A 4 -16.824 -16.622 -21.992 1.00 0.00 C ATOM 49 CD GLU A 4 -16.560 -15.235 -21.438 1.00 0.00 C ATOM 50 OE1 GLU A 4 -17.523 -14.447 -21.329 1.00 0.00 O ATOM 51 OE2 GLU A 4 -15.391 -14.939 -21.115 1.00 0.00 O ATOM 0 H GLU A 4 -18.683 -20.006 -21.196 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.092 -17.963 -19.794 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.644 -17.690 -22.346 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.789 -16.392 -21.178 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.010 -17.286 -21.702 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.827 -16.579 -23.081 1.00 0.00 H new ATOM 58 N PHE A 5 -18.937 -18.202 -18.138 1.00 0.00 N ATOM 59 CA PHE A 5 -20.005 -18.145 -17.146 1.00 0.00 C ATOM 60 C PHE A 5 -19.754 -17.024 -16.141 1.00 0.00 C ATOM 61 O PHE A 5 -20.184 -17.101 -14.990 1.00 0.00 O ATOM 62 CB PHE A 5 -20.123 -19.485 -16.417 1.00 0.00 C ATOM 63 CG PHE A 5 -21.191 -20.381 -16.977 1.00 0.00 C ATOM 64 CD1 PHE A 5 -21.020 -21.001 -18.203 1.00 0.00 C ATOM 65 CD2 PHE A 5 -22.366 -20.602 -16.275 1.00 0.00 C ATOM 66 CE1 PHE A 5 -21.999 -21.827 -18.721 1.00 0.00 C ATOM 67 CE2 PHE A 5 -23.350 -21.427 -16.788 1.00 0.00 C ATOM 68 CZ PHE A 5 -23.167 -22.040 -18.013 1.00 0.00 C ATOM 0 H PHE A 5 -18.000 -18.291 -17.744 1.00 0.00 H new ATOM 0 HA PHE A 5 -20.941 -17.939 -17.665 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -19.164 -20.002 -16.466 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -20.332 -19.299 -15.363 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -20.110 -20.837 -18.761 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -22.514 -20.125 -15.318 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -21.852 -22.306 -19.678 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -24.261 -21.592 -16.232 1.00 0.00 H new ATOM 0 HZ PHE A 5 -23.935 -22.684 -18.416 1.00 0.00 H new ATOM 78 N LYS A 6 -19.056 -15.983 -16.583 1.00 0.00 N ATOM 79 CA LYS A 6 -18.749 -14.846 -15.721 1.00 0.00 C ATOM 80 C LYS A 6 -17.980 -13.774 -16.488 1.00 0.00 C ATOM 81 O LYS A 6 -17.271 -14.074 -17.449 1.00 0.00 O ATOM 82 CB LYS A 6 -17.940 -15.304 -14.505 1.00 0.00 C ATOM 83 CG LYS A 6 -18.399 -14.676 -13.199 1.00 0.00 C ATOM 84 CD LYS A 6 -19.162 -15.671 -12.337 1.00 0.00 C ATOM 85 CE LYS A 6 -20.399 -15.040 -11.720 1.00 0.00 C ATOM 86 NZ LYS A 6 -21.370 -16.066 -11.249 1.00 0.00 N ATOM 0 H LYS A 6 -18.692 -15.903 -17.533 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.690 -14.416 -15.379 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.008 -16.389 -14.421 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.889 -15.062 -14.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.534 -14.305 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.034 -13.816 -13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.454 -16.529 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.510 -16.044 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.105 -14.408 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.881 -14.394 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.199 -15.595 -10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.671 -16.654 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.919 -16.667 -10.530 1.00 0.00 H new ATOM 100 N GLN A 7 -18.122 -12.527 -16.056 1.00 0.00 N ATOM 101 CA GLN A 7 -17.440 -11.411 -16.701 1.00 0.00 C ATOM 102 C GLN A 7 -17.064 -10.339 -15.682 1.00 0.00 C ATOM 103 O GLN A 7 -15.903 -9.943 -15.582 1.00 0.00 O ATOM 104 CB GLN A 7 -18.325 -10.808 -17.791 1.00 0.00 C ATOM 105 CG GLN A 7 -18.313 -11.597 -19.091 1.00 0.00 C ATOM 106 CD GLN A 7 -19.700 -12.037 -19.520 1.00 0.00 C ATOM 107 OE1 GLN A 7 -20.624 -11.227 -19.597 1.00 0.00 O ATOM 108 NE2 GLN A 7 -19.851 -13.325 -19.803 1.00 0.00 N ATOM 0 H GLN A 7 -18.704 -12.263 -15.261 1.00 0.00 H new ATOM 0 HA GLN A 7 -16.524 -11.790 -17.155 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -19.349 -10.746 -17.423 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -17.996 -9.788 -17.992 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -17.870 -10.987 -19.878 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -17.678 -12.475 -18.973 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -19.057 -13.961 -19.725 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -20.761 -13.679 -20.098 1.00 0.00 H new ATOM 117 N LYS A 8 -18.055 -9.873 -14.928 1.00 0.00 N ATOM 118 CA LYS A 8 -17.828 -8.849 -13.917 1.00 0.00 C ATOM 119 C LYS A 8 -18.919 -8.885 -12.852 1.00 0.00 C ATOM 120 O LYS A 8 -20.081 -8.589 -13.129 1.00 0.00 O ATOM 121 CB LYS A 8 -17.776 -7.462 -14.567 1.00 0.00 C ATOM 122 CG LYS A 8 -16.362 -6.953 -14.796 1.00 0.00 C ATOM 123 CD LYS A 8 -16.011 -6.920 -16.277 1.00 0.00 C ATOM 124 CE LYS A 8 -15.956 -5.495 -16.806 1.00 0.00 C ATOM 125 NZ LYS A 8 -15.774 -5.458 -18.283 1.00 0.00 N ATOM 0 H LYS A 8 -19.022 -10.189 -14.999 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.871 -9.053 -13.437 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.300 -7.497 -15.522 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.311 -6.753 -13.935 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.262 -5.952 -14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.655 -7.592 -14.268 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.048 -7.405 -16.434 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.750 -7.490 -16.840 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.875 -4.973 -16.540 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.136 -4.961 -16.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.742 -4.469 -18.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.884 -5.933 -18.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.569 -5.945 -18.743 1.00 0.00 H new ATOM 139 N ALA A 9 -18.536 -9.251 -11.633 1.00 0.00 N ATOM 140 CA ALA A 9 -19.483 -9.327 -10.526 1.00 0.00 C ATOM 141 C ALA A 9 -18.924 -8.653 -9.278 1.00 0.00 C ATOM 142 O ALA A 9 -17.754 -8.830 -8.935 1.00 0.00 O ATOM 143 CB ALA A 9 -19.835 -10.777 -10.234 1.00 0.00 C ATOM 0 H ALA A 9 -17.578 -9.499 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.389 -8.796 -10.817 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.542 -10.820 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.284 -11.228 -11.119 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.931 -11.324 -9.968 1.00 0.00 H new ATOM 149 N LEU A 10 -19.766 -7.882 -8.600 1.00 0.00 N ATOM 150 CA LEU A 10 -19.357 -7.182 -7.387 1.00 0.00 C ATOM 151 C LEU A 10 -20.002 -7.807 -6.155 1.00 0.00 C ATOM 152 O LEU A 10 -21.226 -7.818 -6.020 1.00 0.00 O ATOM 153 CB LEU A 10 -19.732 -5.702 -7.477 1.00 0.00 C ATOM 154 CG LEU A 10 -18.848 -4.865 -8.404 1.00 0.00 C ATOM 155 CD1 LEU A 10 -19.329 -3.422 -8.440 1.00 0.00 C ATOM 156 CD2 LEU A 10 -17.395 -4.932 -7.958 1.00 0.00 C ATOM 0 H LEU A 10 -20.737 -7.725 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 10 -18.275 -7.271 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -20.765 -5.625 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -19.693 -5.271 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.918 -5.276 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -18.689 -2.841 -9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -20.355 -3.390 -8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.288 -3.000 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.781 -4.331 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.308 -4.546 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.054 -5.967 -7.983 1.00 0.00 H new ATOM 168 N VAL A 11 -19.171 -8.325 -5.257 1.00 0.00 N ATOM 169 CA VAL A 11 -19.659 -8.952 -4.035 1.00 0.00 C ATOM 170 C VAL A 11 -20.280 -7.919 -3.099 1.00 0.00 C ATOM 171 O VAL A 11 -21.486 -7.933 -2.856 1.00 0.00 O ATOM 172 CB VAL A 11 -18.530 -9.690 -3.291 1.00 0.00 C ATOM 173 CG1 VAL A 11 -19.092 -10.495 -2.131 1.00 0.00 C ATOM 174 CG2 VAL A 11 -17.757 -10.585 -4.248 1.00 0.00 C ATOM 0 H VAL A 11 -18.156 -8.323 -5.353 1.00 0.00 H new ATOM 0 HA VAL A 11 -20.419 -9.675 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 11 -17.840 -8.949 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.280 -11.009 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.596 -9.825 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.804 -11.228 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.963 -11.098 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.433 -11.321 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.320 -9.978 -5.041 1.00 0.00 H new ATOM 184 N ALA A 12 -19.446 -7.025 -2.576 1.00 0.00 N ATOM 185 CA ALA A 12 -19.913 -5.987 -1.665 1.00 0.00 C ATOM 186 C ALA A 12 -20.570 -6.593 -0.430 1.00 0.00 C ATOM 187 O ALA A 12 -21.614 -6.125 0.025 1.00 0.00 O ATOM 188 CB ALA A 12 -20.883 -5.057 -2.380 1.00 0.00 C ATOM 0 H ALA A 12 -18.445 -6.999 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 12 -19.048 -5.411 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -21.224 -4.286 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.381 -4.589 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.739 -5.629 -2.737 1.00 0.00 H new ATOM 194 N LYS A 13 -19.952 -7.638 0.108 1.00 0.00 N ATOM 195 CA LYS A 13 -20.475 -8.311 1.291 1.00 0.00 C ATOM 196 C LYS A 13 -20.573 -7.346 2.469 1.00 0.00 C ATOM 197 O LYS A 13 -21.669 -6.993 2.907 1.00 0.00 O ATOM 198 CB LYS A 13 -19.588 -9.502 1.661 1.00 0.00 C ATOM 199 CG LYS A 13 -20.370 -10.763 1.995 1.00 0.00 C ATOM 200 CD LYS A 13 -20.083 -11.880 1.002 1.00 0.00 C ATOM 201 CE LYS A 13 -21.351 -12.630 0.625 1.00 0.00 C ATOM 202 NZ LYS A 13 -21.995 -12.055 -0.587 1.00 0.00 N ATOM 0 H LYS A 13 -19.087 -8.038 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.477 -8.673 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -18.912 -9.712 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.969 -9.231 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -20.114 -11.095 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -21.437 -10.541 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.626 -11.462 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.362 -12.575 1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.113 -13.679 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.053 -12.599 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -22.922 -12.503 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -22.122 -11.031 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -21.392 -12.229 -1.416 1.00 0.00 H new ATOM 216 N VAL A 14 -19.421 -6.922 2.977 1.00 0.00 N ATOM 217 CA VAL A 14 -19.377 -5.998 4.104 1.00 0.00 C ATOM 218 C VAL A 14 -18.221 -5.014 3.963 1.00 0.00 C ATOM 219 O VAL A 14 -17.196 -5.142 4.635 1.00 0.00 O ATOM 220 CB VAL A 14 -19.239 -6.750 5.440 1.00 0.00 C ATOM 221 CG1 VAL A 14 -19.392 -5.790 6.611 1.00 0.00 C ATOM 222 CG2 VAL A 14 -20.258 -7.875 5.527 1.00 0.00 C ATOM 0 H VAL A 14 -18.505 -7.203 2.626 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.319 -5.449 4.101 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.243 -7.189 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.292 -6.339 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.620 -5.023 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.374 -5.320 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.145 -8.395 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.264 -7.461 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.096 -8.576 4.708 1.00 0.00 H new ATOM 232 N SER A 15 -18.390 -4.030 3.085 1.00 0.00 N ATOM 233 CA SER A 15 -17.361 -3.023 2.855 1.00 0.00 C ATOM 234 C SER A 15 -16.060 -3.670 2.388 1.00 0.00 C ATOM 235 O SER A 15 -15.165 -3.937 3.190 1.00 0.00 O ATOM 236 CB SER A 15 -17.114 -2.216 4.130 1.00 0.00 C ATOM 237 OG SER A 15 -18.335 -1.864 4.756 1.00 0.00 O ATOM 0 H SER A 15 -19.231 -3.909 2.521 1.00 0.00 H new ATOM 0 HA SER A 15 -17.713 -2.352 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.503 -2.798 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.552 -1.314 3.890 1.00 0.00 H new ATOM 0 HG SER A 15 -18.149 -1.350 5.570 1.00 0.00 H new ATOM 243 N GLN A 16 -15.962 -3.918 1.087 1.00 0.00 N ATOM 244 CA GLN A 16 -14.770 -4.534 0.514 1.00 0.00 C ATOM 245 C GLN A 16 -13.620 -3.535 0.453 1.00 0.00 C ATOM 246 O GLN A 16 -12.454 -3.908 0.586 1.00 0.00 O ATOM 247 CB GLN A 16 -15.071 -5.069 -0.888 1.00 0.00 C ATOM 248 CG GLN A 16 -15.770 -4.062 -1.787 1.00 0.00 C ATOM 249 CD GLN A 16 -15.306 -4.145 -3.228 1.00 0.00 C ATOM 250 OE1 GLN A 16 -15.334 -5.213 -3.841 1.00 0.00 O ATOM 251 NE2 GLN A 16 -14.874 -3.016 -3.776 1.00 0.00 N ATOM 0 H GLN A 16 -16.693 -3.702 0.409 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.474 -5.364 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.137 -5.377 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.693 -5.960 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.846 -4.230 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -15.589 -3.056 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.868 -2.154 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.548 -3.010 -4.742 1.00 0.00 H new ATOM 260 N ARG A 17 -13.955 -2.265 0.253 1.00 0.00 N ATOM 261 CA ARG A 17 -12.949 -1.212 0.174 1.00 0.00 C ATOM 262 C ARG A 17 -12.300 -0.973 1.534 1.00 0.00 C ATOM 263 O ARG A 17 -11.100 -0.717 1.623 1.00 0.00 O ATOM 264 CB ARG A 17 -13.575 0.087 -0.340 1.00 0.00 C ATOM 265 CG ARG A 17 -14.844 0.485 0.398 1.00 0.00 C ATOM 266 CD ARG A 17 -14.660 1.784 1.169 1.00 0.00 C ATOM 267 NE ARG A 17 -14.976 2.955 0.354 1.00 0.00 N ATOM 268 CZ ARG A 17 -15.261 4.154 0.858 1.00 0.00 C ATOM 269 NH1 ARG A 17 -15.268 4.346 2.171 1.00 0.00 N ATOM 270 NH2 ARG A 17 -15.537 5.165 0.045 1.00 0.00 N ATOM 0 H ARG A 17 -14.915 -1.940 0.143 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.178 -1.536 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.845 0.892 -0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.801 -0.023 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.660 0.597 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.130 -0.310 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.298 1.774 2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.631 1.854 1.520 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.978 2.848 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.054 3.573 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.487 5.267 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.531 5.023 -0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.755 6.084 0.430 1.00 0.00 H new ATOM 284 N GLU A 18 -13.104 -1.060 2.590 1.00 0.00 N ATOM 285 CA GLU A 18 -12.607 -0.853 3.947 1.00 0.00 C ATOM 286 C GLU A 18 -11.784 -2.049 4.416 1.00 0.00 C ATOM 287 O GLU A 18 -10.871 -1.906 5.229 1.00 0.00 O ATOM 288 CB GLU A 18 -13.773 -0.613 4.907 1.00 0.00 C ATOM 289 CG GLU A 18 -14.151 0.853 5.050 1.00 0.00 C ATOM 290 CD GLU A 18 -13.299 1.576 6.076 1.00 0.00 C ATOM 291 OE1 GLU A 18 -12.058 1.555 5.938 1.00 0.00 O ATOM 292 OE2 GLU A 18 -13.873 2.162 7.018 1.00 0.00 O ATOM 0 H GLU A 18 -14.100 -1.272 2.533 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.963 0.026 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.641 -1.171 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.513 -1.010 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.048 1.347 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.200 0.928 5.336 1.00 0.00 H new ATOM 299 N GLU A 19 -12.116 -3.229 3.902 1.00 0.00 N ATOM 300 CA GLU A 19 -11.407 -4.450 4.271 1.00 0.00 C ATOM 301 C GLU A 19 -10.042 -4.526 3.593 1.00 0.00 C ATOM 302 O GLU A 19 -9.146 -5.231 4.058 1.00 0.00 O ATOM 303 CB GLU A 19 -12.241 -5.678 3.902 1.00 0.00 C ATOM 304 CG GLU A 19 -11.900 -6.913 4.719 1.00 0.00 C ATOM 305 CD GLU A 19 -12.181 -8.202 3.971 1.00 0.00 C ATOM 306 OE1 GLU A 19 -13.011 -8.179 3.040 1.00 0.00 O ATOM 307 OE2 GLU A 19 -11.570 -9.235 4.319 1.00 0.00 O ATOM 0 H GLU A 19 -12.871 -3.366 3.229 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.250 -4.432 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.297 -5.444 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.096 -5.901 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.847 -6.881 4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.475 -6.902 5.645 1.00 0.00 H new ATOM 314 N MET A 20 -9.891 -3.801 2.490 1.00 0.00 N ATOM 315 CA MET A 20 -8.637 -3.791 1.746 1.00 0.00 C ATOM 316 C MET A 20 -7.639 -2.811 2.355 1.00 0.00 C ATOM 317 O MET A 20 -6.430 -3.038 2.313 1.00 0.00 O ATOM 318 CB MET A 20 -8.900 -3.430 0.283 1.00 0.00 C ATOM 319 CG MET A 20 -9.558 -4.546 -0.512 1.00 0.00 C ATOM 320 SD MET A 20 -8.425 -5.904 -0.868 1.00 0.00 S ATOM 321 CE MET A 20 -7.058 -5.019 -1.612 1.00 0.00 C ATOM 0 H MET A 20 -10.622 -3.212 2.091 1.00 0.00 H new ATOM 0 HA MET A 20 -8.204 -4.790 1.800 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.535 -2.545 0.245 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.956 -3.165 -0.192 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.414 -4.928 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.942 -4.142 -1.449 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.503 -5.691 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.441 -4.180 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.396 -4.647 -0.830 1.00 0.00 H new ATOM 331 N VAL A 21 -8.147 -1.715 2.912 1.00 0.00 N ATOM 332 CA VAL A 21 -7.287 -0.700 3.514 1.00 0.00 C ATOM 333 C VAL A 21 -6.710 -1.173 4.849 1.00 0.00 C ATOM 334 O VAL A 21 -5.513 -1.035 5.099 1.00 0.00 O ATOM 335 CB VAL A 21 -8.032 0.644 3.706 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.955 0.916 2.528 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.818 0.672 5.012 1.00 0.00 C ATOM 0 H VAL A 21 -9.145 -1.507 2.959 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.463 -0.538 2.819 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.279 1.431 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.470 1.865 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.369 0.965 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.689 0.114 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.327 1.631 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.555 -0.131 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.135 0.536 5.851 1.00 0.00 H new ATOM 347 N LYS A 22 -7.565 -1.730 5.702 1.00 0.00 N ATOM 348 CA LYS A 22 -7.123 -2.215 7.005 1.00 0.00 C ATOM 349 C LYS A 22 -6.156 -3.383 6.845 1.00 0.00 C ATOM 350 O LYS A 22 -5.160 -3.480 7.564 1.00 0.00 O ATOM 351 CB LYS A 22 -8.322 -2.634 7.860 1.00 0.00 C ATOM 352 CG LYS A 22 -9.201 -3.683 7.205 1.00 0.00 C ATOM 353 CD LYS A 22 -10.616 -3.645 7.758 1.00 0.00 C ATOM 354 CE LYS A 22 -11.279 -5.012 7.694 1.00 0.00 C ATOM 355 NZ LYS A 22 -11.402 -5.635 9.039 1.00 0.00 N ATOM 0 H LYS A 22 -8.560 -1.856 5.516 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.603 -1.401 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.960 -3.019 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.925 -1.753 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.225 -3.518 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.772 -4.672 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.594 -3.299 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.209 -2.926 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.269 -4.914 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.699 -5.666 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.859 -6.565 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.456 -5.752 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.977 -5.024 9.653 1.00 0.00 H new ATOM 369 N LYS A 23 -6.450 -4.263 5.893 1.00 0.00 N ATOM 370 CA LYS A 23 -5.599 -5.419 5.635 1.00 0.00 C ATOM 371 C LYS A 23 -4.183 -4.972 5.289 1.00 0.00 C ATOM 372 O LYS A 23 -3.210 -5.666 5.585 1.00 0.00 O ATOM 373 CB LYS A 23 -6.175 -6.260 4.494 1.00 0.00 C ATOM 374 CG LYS A 23 -5.403 -7.544 4.233 1.00 0.00 C ATOM 375 CD LYS A 23 -5.442 -8.474 5.438 1.00 0.00 C ATOM 376 CE LYS A 23 -6.219 -9.748 5.139 1.00 0.00 C ATOM 377 NZ LYS A 23 -7.285 -9.998 6.150 1.00 0.00 N ATOM 0 H LYS A 23 -7.269 -4.198 5.289 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.564 -6.028 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.211 -6.509 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.187 -5.662 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.824 -8.053 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.368 -7.304 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.425 -8.729 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.900 -7.958 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.668 -9.676 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.533 -10.595 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.791 -10.874 5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.855 -10.092 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.954 -9.202 6.153 1.00 0.00 H new ATOM 391 N CYS A 24 -4.078 -3.804 4.665 1.00 0.00 N ATOM 392 CA CYS A 24 -2.784 -3.252 4.282 1.00 0.00 C ATOM 393 C CYS A 24 -1.996 -2.830 5.518 1.00 0.00 C ATOM 394 O CYS A 24 -0.773 -2.943 5.553 1.00 0.00 O ATOM 395 CB CYS A 24 -2.976 -2.060 3.337 1.00 0.00 C ATOM 396 SG CYS A 24 -1.515 -1.010 3.135 1.00 0.00 S ATOM 0 H CYS A 24 -4.876 -3.220 4.413 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.217 -4.023 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.275 -2.435 2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.798 -1.448 3.709 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.098 -1.078 1.906 1.00 0.00 H new ATOM 402 N LEU A 25 -2.705 -2.341 6.530 1.00 0.00 N ATOM 403 CA LEU A 25 -2.065 -1.903 7.764 1.00 0.00 C ATOM 404 C LEU A 25 -1.321 -3.057 8.426 1.00 0.00 C ATOM 405 O LEU A 25 -0.214 -2.883 8.937 1.00 0.00 O ATOM 406 CB LEU A 25 -3.102 -1.327 8.728 1.00 0.00 C ATOM 407 CG LEU A 25 -2.546 -0.322 9.739 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.457 0.890 9.846 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.367 -0.978 11.100 1.00 0.00 C ATOM 0 H LEU A 25 -3.720 -2.238 6.520 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.345 -1.124 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.887 -0.842 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.569 -2.148 9.272 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.570 0.014 9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.044 1.593 10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.534 1.375 8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.448 0.573 10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.971 -0.248 11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.330 -1.343 11.457 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.672 -1.813 11.013 1.00 0.00 H new ATOM 421 N GLY A 26 -1.934 -4.236 8.414 1.00 0.00 N ATOM 422 CA GLY A 26 -1.315 -5.402 9.016 1.00 0.00 C ATOM 423 C GLY A 26 -0.224 -5.999 8.148 1.00 0.00 C ATOM 424 O GLY A 26 0.831 -6.388 8.648 1.00 0.00 O ATOM 0 H GLY A 26 -2.850 -4.405 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.894 -5.126 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.078 -6.157 9.204 1.00 0.00 H new ATOM 428 N GLU A 27 -0.478 -6.076 6.846 1.00 0.00 N ATOM 429 CA GLU A 27 0.492 -6.633 5.909 1.00 0.00 C ATOM 430 C GLU A 27 1.778 -5.812 5.906 1.00 0.00 C ATOM 431 O GLU A 27 2.875 -6.355 6.043 1.00 0.00 O ATOM 432 CB GLU A 27 -0.102 -6.689 4.499 1.00 0.00 C ATOM 433 CG GLU A 27 -0.369 -8.102 4.009 1.00 0.00 C ATOM 434 CD GLU A 27 -1.842 -8.367 3.764 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.359 -7.922 2.718 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.477 -9.022 4.617 1.00 0.00 O ATOM 0 H GLU A 27 -1.347 -5.760 6.415 1.00 0.00 H new ATOM 0 HA GLU A 27 0.733 -7.646 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.035 -6.125 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.580 -6.196 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.185 -8.273 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.007 -8.814 4.743 1.00 0.00 H new ATOM 443 N LEU A 28 1.635 -4.500 5.747 1.00 0.00 N ATOM 444 CA LEU A 28 2.784 -3.602 5.727 1.00 0.00 C ATOM 445 C LEU A 28 3.571 -3.692 7.029 1.00 0.00 C ATOM 446 O LEU A 28 4.779 -3.452 7.053 1.00 0.00 O ATOM 447 CB LEU A 28 2.334 -2.160 5.485 1.00 0.00 C ATOM 448 CG LEU A 28 2.156 -1.775 4.014 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.832 -0.295 3.886 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.407 -2.116 3.219 1.00 0.00 C ATOM 0 H LEU A 28 0.735 -4.035 5.630 1.00 0.00 H new ATOM 0 HA LEU A 28 3.435 -3.910 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.389 -1.998 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.064 -1.487 5.935 1.00 0.00 H new ATOM 0 HG LEU A 28 1.322 -2.347 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.709 -0.039 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.909 -0.077 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.646 0.294 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.263 -1.836 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.258 -1.570 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.598 -3.187 3.284 1.00 0.00 H new ATOM 462 N THR A 29 2.885 -4.042 8.113 1.00 0.00 N ATOM 463 CA THR A 29 3.534 -4.168 9.413 1.00 0.00 C ATOM 464 C THR A 29 4.587 -5.268 9.376 1.00 0.00 C ATOM 465 O THR A 29 5.696 -5.099 9.882 1.00 0.00 O ATOM 466 CB THR A 29 2.501 -4.467 10.501 1.00 0.00 C ATOM 467 OG1 THR A 29 1.533 -3.435 10.571 1.00 0.00 O ATOM 468 CG2 THR A 29 3.107 -4.619 11.880 1.00 0.00 C ATOM 0 H THR A 29 1.885 -4.242 8.117 1.00 0.00 H new ATOM 0 HA THR A 29 4.022 -3.222 9.646 1.00 0.00 H new ATOM 0 HB THR A 29 2.049 -5.416 10.214 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.001 -3.429 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.319 -4.830 12.603 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.823 -5.441 11.874 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.616 -3.696 12.157 1.00 0.00 H new ATOM 476 N GLU A 30 4.232 -6.397 8.769 1.00 0.00 N ATOM 477 CA GLU A 30 5.144 -7.529 8.661 1.00 0.00 C ATOM 478 C GLU A 30 6.400 -7.141 7.887 1.00 0.00 C ATOM 479 O GLU A 30 7.514 -7.249 8.398 1.00 0.00 O ATOM 480 CB GLU A 30 4.450 -8.709 7.978 1.00 0.00 C ATOM 481 CG GLU A 30 4.609 -10.023 8.723 1.00 0.00 C ATOM 482 CD GLU A 30 5.866 -10.771 8.325 1.00 0.00 C ATOM 483 OE1 GLU A 30 6.272 -10.666 7.148 1.00 0.00 O ATOM 484 OE2 GLU A 30 6.446 -11.462 9.190 1.00 0.00 O ATOM 0 H GLU A 30 3.318 -6.551 8.344 1.00 0.00 H new ATOM 0 HA GLU A 30 5.437 -7.826 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.388 -8.485 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.851 -8.822 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.631 -9.828 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.740 -10.652 8.531 1.00 0.00 H new ATOM 491 N VAL A 31 6.215 -6.684 6.650 1.00 0.00 N ATOM 492 CA VAL A 31 7.335 -6.276 5.808 1.00 0.00 C ATOM 493 C VAL A 31 8.249 -5.299 6.542 1.00 0.00 C ATOM 494 O VAL A 31 9.473 -5.408 6.475 1.00 0.00 O ATOM 495 CB VAL A 31 6.846 -5.628 4.496 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.844 -4.531 4.795 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.014 -5.086 3.683 1.00 0.00 C ATOM 0 H VAL A 31 5.300 -6.587 6.210 1.00 0.00 H new ATOM 0 HA VAL A 31 7.896 -7.179 5.568 1.00 0.00 H new ATOM 0 HB VAL A 31 6.354 -6.395 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.507 -4.082 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.990 -4.953 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.314 -3.768 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.639 -4.635 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.545 -4.334 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.695 -5.901 3.436 1.00 0.00 H new ATOM 507 N CYS A 32 7.645 -4.347 7.244 1.00 0.00 N ATOM 508 CA CYS A 32 8.403 -3.351 7.991 1.00 0.00 C ATOM 509 C CYS A 32 9.284 -4.018 9.044 1.00 0.00 C ATOM 510 O CYS A 32 10.478 -3.737 9.139 1.00 0.00 O ATOM 511 CB CYS A 32 7.454 -2.354 8.655 1.00 0.00 C ATOM 512 SG CYS A 32 6.952 -0.987 7.584 1.00 0.00 S ATOM 0 H CYS A 32 6.632 -4.244 7.311 1.00 0.00 H new ATOM 0 HA CYS A 32 9.047 -2.817 7.292 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.563 -2.885 8.990 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.936 -1.947 9.544 1.00 0.00 H new ATOM 0 HG CYS A 32 6.148 -0.199 8.234 1.00 0.00 H new ATOM 518 N LYS A 33 8.685 -4.904 9.835 1.00 0.00 N ATOM 519 CA LYS A 33 9.414 -5.611 10.883 1.00 0.00 C ATOM 520 C LYS A 33 10.562 -6.423 10.295 1.00 0.00 C ATOM 521 O LYS A 33 11.703 -6.325 10.750 1.00 0.00 O ATOM 522 CB LYS A 33 8.470 -6.531 11.660 1.00 0.00 C ATOM 523 CG LYS A 33 7.376 -5.787 12.411 1.00 0.00 C ATOM 524 CD LYS A 33 7.108 -6.412 13.769 1.00 0.00 C ATOM 525 CE LYS A 33 5.845 -5.847 14.401 1.00 0.00 C ATOM 526 NZ LYS A 33 5.833 -6.028 15.879 1.00 0.00 N ATOM 0 H LYS A 33 7.697 -5.149 9.770 1.00 0.00 H new ATOM 0 HA LYS A 33 9.829 -4.869 11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.009 -7.234 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.052 -7.119 12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.667 -4.744 12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.460 -5.792 11.820 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.011 -7.492 13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.958 -6.233 14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.765 -4.786 14.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.973 -6.337 13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.956 -5.630 16.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.884 -7.042 16.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.651 -5.539 16.295 1.00 0.00 H new ATOM 540 N SER A 34 10.256 -7.229 9.282 1.00 0.00 N ATOM 541 CA SER A 34 11.262 -8.060 8.630 1.00 0.00 C ATOM 542 C SER A 34 12.424 -7.211 8.122 1.00 0.00 C ATOM 543 O SER A 34 13.563 -7.673 8.062 1.00 0.00 O ATOM 544 CB SER A 34 10.638 -8.838 7.472 1.00 0.00 C ATOM 545 OG SER A 34 11.439 -9.950 7.114 1.00 0.00 O ATOM 0 H SER A 34 9.317 -7.324 8.895 1.00 0.00 H new ATOM 0 HA SER A 34 11.647 -8.766 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.642 -9.179 7.754 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.518 -8.180 6.611 1.00 0.00 H new ATOM 0 HG SER A 34 11.017 -10.432 6.372 1.00 0.00 H new ATOM 551 N LEU A 35 12.126 -5.969 7.757 1.00 0.00 N ATOM 552 CA LEU A 35 13.145 -5.056 7.255 1.00 0.00 C ATOM 553 C LEU A 35 14.016 -4.534 8.396 1.00 0.00 C ATOM 554 O LEU A 35 15.172 -4.164 8.188 1.00 0.00 O ATOM 555 CB LEU A 35 12.494 -3.884 6.518 1.00 0.00 C ATOM 556 CG LEU A 35 11.960 -4.212 5.121 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.222 -3.016 4.539 1.00 0.00 C ATOM 558 CD2 LEU A 35 13.096 -4.640 4.206 1.00 0.00 C ATOM 0 H LEU A 35 11.187 -5.572 7.799 1.00 0.00 H new ATOM 0 HA LEU A 35 13.778 -5.606 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.672 -3.505 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.224 -3.079 6.431 1.00 0.00 H new ATOM 0 HG LEU A 35 11.256 -5.040 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.849 -3.267 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.384 -2.755 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.903 -2.168 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.700 -4.870 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.823 -3.832 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.581 -5.526 4.617 1.00 0.00 H new ATOM 570 N GLY A 36 13.453 -4.507 9.600 1.00 0.00 N ATOM 571 CA GLY A 36 14.191 -4.026 10.754 1.00 0.00 C ATOM 572 C GLY A 36 15.124 -5.075 11.328 1.00 0.00 C ATOM 573 O GLY A 36 16.172 -4.744 11.882 1.00 0.00 O ATOM 0 H GLY A 36 12.499 -4.810 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.769 -3.147 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.488 -3.710 11.524 1.00 0.00 H new ATOM 577 N LYS A 37 14.741 -6.341 11.201 1.00 0.00 N ATOM 578 CA LYS A 37 15.552 -7.438 11.717 1.00 0.00 C ATOM 579 C LYS A 37 16.757 -7.698 10.816 1.00 0.00 C ATOM 580 O LYS A 37 17.791 -8.184 11.273 1.00 0.00 O ATOM 581 CB LYS A 37 14.710 -8.709 11.841 1.00 0.00 C ATOM 582 CG LYS A 37 14.192 -9.228 10.510 1.00 0.00 C ATOM 583 CD LYS A 37 13.533 -10.590 10.659 1.00 0.00 C ATOM 584 CE LYS A 37 14.015 -11.564 9.596 1.00 0.00 C ATOM 585 NZ LYS A 37 15.468 -11.862 9.734 1.00 0.00 N ATOM 0 H LYS A 37 13.876 -6.633 10.746 1.00 0.00 H new ATOM 0 HA LYS A 37 15.915 -7.153 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.308 -9.486 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.864 -8.511 12.499 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.474 -8.519 10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.016 -9.298 9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.750 -10.993 11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.451 -10.481 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.446 -12.491 9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.822 -11.147 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.670 -12.799 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.020 -11.140 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.730 -11.856 10.741 1.00 0.00 H new ATOM 599 N VAL A 38 16.617 -7.371 9.535 1.00 0.00 N ATOM 600 CA VAL A 38 17.695 -7.571 8.575 1.00 0.00 C ATOM 601 C VAL A 38 18.641 -6.374 8.546 1.00 0.00 C ATOM 602 O VAL A 38 19.843 -6.528 8.335 1.00 0.00 O ATOM 603 CB VAL A 38 17.148 -7.812 7.157 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.365 -9.114 7.101 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.288 -6.643 6.718 1.00 0.00 C ATOM 0 H VAL A 38 15.768 -6.967 9.139 1.00 0.00 H new ATOM 0 HA VAL A 38 18.244 -8.455 8.900 1.00 0.00 H new ATOM 0 HB VAL A 38 17.989 -7.894 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.986 -9.267 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.018 -9.943 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.529 -9.066 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.908 -6.828 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.451 -6.528 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.886 -5.731 6.718 1.00 0.00 H new ATOM 615 N PHE A 39 18.089 -5.184 8.759 1.00 0.00 N ATOM 616 CA PHE A 39 18.885 -3.962 8.757 1.00 0.00 C ATOM 617 C PHE A 39 19.328 -3.594 10.170 1.00 0.00 C ATOM 618 O PHE A 39 20.355 -2.938 10.356 1.00 0.00 O ATOM 619 CB PHE A 39 18.088 -2.810 8.142 1.00 0.00 C ATOM 620 CG PHE A 39 18.133 -2.789 6.640 1.00 0.00 C ATOM 621 CD1 PHE A 39 19.330 -2.594 5.972 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.976 -2.963 5.897 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.374 -2.574 4.590 1.00 0.00 C ATOM 624 CE2 PHE A 39 17.015 -2.945 4.516 1.00 0.00 C ATOM 625 CZ PHE A 39 18.214 -2.750 3.862 1.00 0.00 C ATOM 0 H PHE A 39 17.095 -5.040 8.935 1.00 0.00 H new ATOM 0 HA PHE A 39 19.775 -4.141 8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.050 -2.882 8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.476 -1.865 8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.240 -2.456 6.537 1.00 0.00 H new ATOM 0 HD2 PHE A 39 16.034 -3.114 6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.314 -2.421 4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.107 -3.084 3.948 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.245 -2.735 2.783 1.00 0.00 H new ATOM 635 N GLY A 40 18.552 -4.019 11.161 1.00 0.00 N ATOM 636 CA GLY A 40 18.888 -3.723 12.542 1.00 0.00 C ATOM 637 C GLY A 40 18.200 -2.473 13.057 1.00 0.00 C ATOM 638 O GLY A 40 18.697 -1.816 13.971 1.00 0.00 O ATOM 0 H GLY A 40 17.698 -4.562 11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.610 -4.570 13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.968 -3.601 12.631 1.00 0.00 H new ATOM 642 N VAL A 41 17.052 -2.144 12.471 1.00 0.00 N ATOM 643 CA VAL A 41 16.297 -0.966 12.882 1.00 0.00 C ATOM 644 C VAL A 41 14.970 -1.361 13.519 1.00 0.00 C ATOM 645 O VAL A 41 14.465 -2.462 13.298 1.00 0.00 O ATOM 646 CB VAL A 41 16.026 -0.025 11.692 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.318 0.625 11.222 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.354 -0.778 10.556 1.00 0.00 C ATOM 0 H VAL A 41 16.626 -2.676 11.712 1.00 0.00 H new ATOM 0 HA VAL A 41 16.907 -0.439 13.616 1.00 0.00 H new ATOM 0 HB VAL A 41 15.349 0.763 12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.108 1.286 10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.753 1.203 12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.021 -0.147 10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.171 -0.096 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.002 -1.589 10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.406 -1.190 10.903 1.00 0.00 H new ATOM 658 N HIS A 42 14.409 -0.456 14.315 1.00 0.00 N ATOM 659 CA HIS A 42 13.141 -0.710 14.989 1.00 0.00 C ATOM 660 C HIS A 42 11.983 -0.734 13.996 1.00 0.00 C ATOM 661 O HIS A 42 12.100 -0.241 12.875 1.00 0.00 O ATOM 662 CB HIS A 42 12.886 0.354 16.057 1.00 0.00 C ATOM 663 CG HIS A 42 13.548 0.058 17.368 1.00 0.00 C ATOM 664 ND1 HIS A 42 13.002 0.414 18.584 1.00 0.00 N ATOM 665 CD2 HIS A 42 14.716 -0.567 17.651 1.00 0.00 C ATOM 666 CE1 HIS A 42 13.806 0.024 19.557 1.00 0.00 C ATOM 667 NE2 HIS A 42 14.853 -0.574 19.017 1.00 0.00 N ATOM 0 H HIS A 42 14.813 0.460 14.509 1.00 0.00 H new ATOM 0 HA HIS A 42 13.206 -1.689 15.464 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.240 1.317 15.690 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.812 0.448 16.215 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.410 -0.982 16.935 1.00 0.00 H new ATOM 0 HE1 HIS A 42 13.636 0.169 20.614 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.636 -0.976 19.532 1.00 0.00 H new ATOM 676 N TYR A 43 10.863 -1.312 14.421 1.00 0.00 N ATOM 677 CA TYR A 43 9.677 -1.402 13.577 1.00 0.00 C ATOM 678 C TYR A 43 9.172 -0.010 13.201 1.00 0.00 C ATOM 679 O TYR A 43 8.661 0.199 12.101 1.00 0.00 O ATOM 680 CB TYR A 43 8.579 -2.188 14.302 1.00 0.00 C ATOM 681 CG TYR A 43 7.213 -2.086 13.657 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.040 -2.353 12.305 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.099 -1.724 14.403 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.794 -2.261 11.715 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.850 -1.631 13.819 1.00 0.00 C ATOM 686 CZ TYR A 43 4.702 -1.900 12.475 1.00 0.00 C ATOM 687 OH TYR A 43 3.460 -1.808 11.890 1.00 0.00 O ATOM 0 H TYR A 43 10.753 -1.726 15.347 1.00 0.00 H new ATOM 0 HA TYR A 43 9.943 -1.926 12.659 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.869 -3.238 14.348 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.511 -1.831 15.330 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.892 -2.637 11.706 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.211 -1.512 15.456 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.676 -2.471 10.662 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.993 -1.349 14.413 1.00 0.00 H new ATOM 0 HH TYR A 43 2.769 -2.005 12.556 1.00 0.00 H new ATOM 697 N PHE A 44 9.318 0.935 14.123 1.00 0.00 N ATOM 698 CA PHE A 44 8.876 2.304 13.891 1.00 0.00 C ATOM 699 C PHE A 44 9.851 3.047 12.981 1.00 0.00 C ATOM 700 O PHE A 44 9.461 3.965 12.259 1.00 0.00 O ATOM 701 CB PHE A 44 8.731 3.046 15.221 1.00 0.00 C ATOM 702 CG PHE A 44 7.310 3.147 15.701 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.352 3.795 14.937 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.933 2.595 16.914 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.045 3.889 15.375 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.628 2.686 17.358 1.00 0.00 C ATOM 707 CZ PHE A 44 4.682 3.334 16.586 1.00 0.00 C ATOM 0 H PHE A 44 9.739 0.777 15.038 1.00 0.00 H new ATOM 0 HA PHE A 44 7.906 2.267 13.396 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.326 2.537 15.979 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.142 4.050 15.114 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.630 4.231 13.989 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.668 2.087 17.520 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.308 4.396 14.770 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.347 2.252 18.306 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.661 3.406 16.930 1.00 0.00 H new ATOM 717 N ASN A 45 11.118 2.646 13.021 1.00 0.00 N ATOM 718 CA ASN A 45 12.145 3.275 12.199 1.00 0.00 C ATOM 719 C ASN A 45 11.791 3.185 10.718 1.00 0.00 C ATOM 720 O ASN A 45 12.145 4.062 9.930 1.00 0.00 O ATOM 721 CB ASN A 45 13.504 2.622 12.452 1.00 0.00 C ATOM 722 CG ASN A 45 14.285 3.314 13.551 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.741 2.678 14.502 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.441 4.627 13.430 1.00 0.00 N ATOM 0 H ASN A 45 11.458 1.889 13.614 1.00 0.00 H new ATOM 0 HA ASN A 45 12.199 4.328 12.476 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.357 1.576 12.719 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.088 2.637 11.531 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.955 5.147 14.141 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.047 5.115 12.626 1.00 0.00 H new ATOM 731 N ILE A 46 11.087 2.120 10.347 1.00 0.00 N ATOM 732 CA ILE A 46 10.684 1.919 8.960 1.00 0.00 C ATOM 733 C ILE A 46 9.609 2.919 8.553 1.00 0.00 C ATOM 734 O ILE A 46 9.846 3.794 7.721 1.00 0.00 O ATOM 735 CB ILE A 46 10.151 0.491 8.731 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.135 -0.539 9.289 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.901 0.248 7.249 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.505 -0.474 8.651 1.00 0.00 C ATOM 0 H ILE A 46 10.785 1.385 10.986 1.00 0.00 H new ATOM 0 HA ILE A 46 11.572 2.071 8.346 1.00 0.00 H new ATOM 0 HB ILE A 46 9.204 0.383 9.259 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.236 -0.388 10.364 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.723 -1.538 9.145 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.525 -0.765 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.166 0.964 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.833 0.371 6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.150 -1.232 9.095 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.417 -0.655 7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.937 0.513 8.817 1.00 0.00 H new ATOM 750 N PHE A 47 8.429 2.786 9.149 1.00 0.00 N ATOM 751 CA PHE A 47 7.315 3.678 8.854 1.00 0.00 C ATOM 752 C PHE A 47 6.575 4.061 10.131 1.00 0.00 C ATOM 753 O PHE A 47 6.541 3.294 11.095 1.00 0.00 O ATOM 754 CB PHE A 47 6.341 3.017 7.873 1.00 0.00 C ATOM 755 CG PHE A 47 6.815 2.991 6.442 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.737 3.918 5.972 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.329 2.036 5.564 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.161 3.888 4.658 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.750 2.003 4.248 1.00 0.00 C ATOM 760 CZ PHE A 47 7.668 2.930 3.795 1.00 0.00 C ATOM 0 H PHE A 47 8.220 2.067 9.841 1.00 0.00 H new ATOM 0 HA PHE A 47 7.721 4.581 8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.155 1.994 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.388 3.544 7.917 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.126 4.670 6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.612 1.308 5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.878 4.614 4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.362 1.253 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.000 2.905 2.767 1.00 0.00 H new ATOM 770 N ASN A 48 5.982 5.250 10.133 1.00 0.00 N ATOM 771 CA ASN A 48 5.239 5.732 11.289 1.00 0.00 C ATOM 772 C ASN A 48 3.757 5.404 11.156 1.00 0.00 C ATOM 773 O ASN A 48 3.282 5.057 10.075 1.00 0.00 O ATOM 774 CB ASN A 48 5.427 7.243 11.451 1.00 0.00 C ATOM 775 CG ASN A 48 5.545 7.656 12.903 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.249 7.020 13.688 1.00 0.00 O ATOM 777 ND2 ASN A 48 4.855 8.730 13.272 1.00 0.00 N ATOM 0 H ASN A 48 6.002 5.898 9.345 1.00 0.00 H new ATOM 0 HA ASN A 48 5.627 5.229 12.175 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.322 7.555 10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.584 7.763 10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.897 9.056 14.238 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.284 9.228 12.590 1.00 0.00 H new ATOM 784 N THR A 49 3.027 5.514 12.263 1.00 0.00 N ATOM 785 CA THR A 49 1.595 5.229 12.270 1.00 0.00 C ATOM 786 C THR A 49 0.877 5.999 11.167 1.00 0.00 C ATOM 787 O THR A 49 -0.081 5.505 10.574 1.00 0.00 O ATOM 788 CB THR A 49 0.990 5.582 13.630 1.00 0.00 C ATOM 789 OG1 THR A 49 1.827 5.139 14.683 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.381 4.981 13.849 1.00 0.00 C ATOM 0 H THR A 49 3.404 5.799 13.167 1.00 0.00 H new ATOM 0 HA THR A 49 1.464 4.163 12.086 1.00 0.00 H new ATOM 0 HB THR A 49 0.897 6.668 13.631 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.423 5.376 15.544 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.752 5.270 14.832 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.064 5.345 13.082 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.315 3.895 13.791 1.00 0.00 H new ATOM 798 N VAL A 50 1.352 7.211 10.893 1.00 0.00 N ATOM 799 CA VAL A 50 0.758 8.051 9.859 1.00 0.00 C ATOM 800 C VAL A 50 1.033 7.489 8.468 1.00 0.00 C ATOM 801 O VAL A 50 0.253 7.696 7.539 1.00 0.00 O ATOM 802 CB VAL A 50 1.289 9.492 9.930 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.680 10.230 11.110 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.804 9.491 10.016 1.00 0.00 C ATOM 0 H VAL A 50 2.147 7.633 11.373 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.317 8.059 10.040 1.00 0.00 H new ATOM 0 HB VAL A 50 0.997 10.015 9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.069 11.248 11.142 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.404 10.259 11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.938 9.713 12.035 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.166 10.518 10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.117 8.952 10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.218 9.002 9.134 1.00 0.00 H new ATOM 814 N THR A 51 2.150 6.780 8.331 1.00 0.00 N ATOM 815 CA THR A 51 2.529 6.190 7.053 1.00 0.00 C ATOM 816 C THR A 51 1.634 5.003 6.709 1.00 0.00 C ATOM 817 O THR A 51 0.966 4.995 5.675 1.00 0.00 O ATOM 818 CB THR A 51 3.992 5.748 7.091 1.00 0.00 C ATOM 819 OG1 THR A 51 4.847 6.860 7.292 1.00 0.00 O ATOM 820 CG2 THR A 51 4.444 5.046 5.828 1.00 0.00 C ATOM 0 H THR A 51 2.808 6.601 9.090 1.00 0.00 H new ATOM 0 HA THR A 51 2.403 6.948 6.280 1.00 0.00 H new ATOM 0 HB THR A 51 4.056 5.043 7.920 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.371 7.685 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.491 4.761 5.925 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.838 4.154 5.671 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.328 5.718 4.977 1.00 0.00 H new ATOM 828 N LEU A 52 1.630 3.998 7.582 1.00 0.00 N ATOM 829 CA LEU A 52 0.820 2.801 7.370 1.00 0.00 C ATOM 830 C LEU A 52 -0.627 3.163 7.049 1.00 0.00 C ATOM 831 O LEU A 52 -1.211 2.641 6.098 1.00 0.00 O ATOM 832 CB LEU A 52 0.871 1.900 8.605 1.00 0.00 C ATOM 833 CG LEU A 52 2.274 1.478 9.043 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.326 1.281 10.551 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.695 0.206 8.323 1.00 0.00 C ATOM 0 H LEU A 52 2.178 3.989 8.442 1.00 0.00 H new ATOM 0 HA LEU A 52 1.234 2.264 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.389 2.418 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.284 1.003 8.406 1.00 0.00 H new ATOM 0 HG LEU A 52 2.972 2.272 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.332 0.981 10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.066 2.215 11.049 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.617 0.506 10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.696 -0.081 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.994 -0.595 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.697 0.381 7.247 1.00 0.00 H new ATOM 847 N LYS A 53 -1.202 4.059 7.845 1.00 0.00 N ATOM 848 CA LYS A 53 -2.579 4.487 7.638 1.00 0.00 C ATOM 849 C LYS A 53 -2.747 5.119 6.260 1.00 0.00 C ATOM 850 O LYS A 53 -3.787 4.964 5.619 1.00 0.00 O ATOM 851 CB LYS A 53 -3.001 5.480 8.726 1.00 0.00 C ATOM 852 CG LYS A 53 -2.233 6.790 8.686 1.00 0.00 C ATOM 853 CD LYS A 53 -2.865 7.833 9.594 1.00 0.00 C ATOM 854 CE LYS A 53 -2.612 7.525 11.061 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.840 7.031 11.745 1.00 0.00 N ATOM 0 H LYS A 53 -0.736 4.501 8.637 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.220 3.607 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.066 5.689 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.862 5.017 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.201 6.618 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.205 7.165 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.463 8.817 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.939 7.874 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.824 6.776 11.144 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.253 8.423 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.625 6.833 12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.584 7.755 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.169 6.160 11.282 1.00 0.00 H new ATOM 869 N LYS A 54 -1.716 5.826 5.808 1.00 0.00 N ATOM 870 CA LYS A 54 -1.747 6.474 4.502 1.00 0.00 C ATOM 871 C LYS A 54 -1.762 5.435 3.385 1.00 0.00 C ATOM 872 O LYS A 54 -2.666 5.419 2.552 1.00 0.00 O ATOM 873 CB LYS A 54 -0.543 7.407 4.342 1.00 0.00 C ATOM 874 CG LYS A 54 -0.915 8.881 4.336 1.00 0.00 C ATOM 875 CD LYS A 54 -1.547 9.305 5.654 1.00 0.00 C ATOM 876 CE LYS A 54 -2.823 10.099 5.431 1.00 0.00 C ATOM 877 NZ LYS A 54 -4.029 9.226 5.434 1.00 0.00 N ATOM 0 H LYS A 54 -0.849 5.965 6.327 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.660 7.065 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.161 7.221 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.028 7.167 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.024 9.481 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.609 9.078 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.767 8.422 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.837 9.907 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.921 10.855 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.760 10.627 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.882 9.813 5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.076 8.696 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.972 8.558 6.229 1.00 0.00 H new ATOM 891 N LEU A 55 -0.757 4.564 3.381 1.00 0.00 N ATOM 892 CA LEU A 55 -0.661 3.515 2.371 1.00 0.00 C ATOM 893 C LEU A 55 -1.866 2.580 2.419 1.00 0.00 C ATOM 894 O LEU A 55 -2.143 1.864 1.456 1.00 0.00 O ATOM 895 CB LEU A 55 0.630 2.711 2.551 1.00 0.00 C ATOM 896 CG LEU A 55 1.853 3.282 1.825 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.749 4.066 2.771 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.642 2.166 1.157 1.00 0.00 C ATOM 0 H LEU A 55 0.001 4.564 4.064 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.647 4.001 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.855 2.647 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.459 1.694 2.199 1.00 0.00 H new ATOM 0 HG LEU A 55 1.492 3.970 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.606 4.456 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.187 4.894 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.098 3.410 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.507 2.588 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.978 1.455 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.007 1.654 0.434 1.00 0.00 H new ATOM 910 N ALA A 56 -2.582 2.587 3.539 1.00 0.00 N ATOM 911 CA ALA A 56 -3.752 1.735 3.695 1.00 0.00 C ATOM 912 C ALA A 56 -4.998 2.391 3.109 1.00 0.00 C ATOM 913 O ALA A 56 -5.682 1.808 2.268 1.00 0.00 O ATOM 914 CB ALA A 56 -3.972 1.402 5.163 1.00 0.00 C ATOM 0 H ALA A 56 -2.372 3.171 4.348 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.569 0.811 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.850 0.764 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.098 0.880 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.126 2.323 5.726 1.00 0.00 H new ATOM 920 N GLU A 57 -5.289 3.608 3.557 1.00 0.00 N ATOM 921 CA GLU A 57 -6.458 4.343 3.078 1.00 0.00 C ATOM 922 C GLU A 57 -6.479 4.410 1.552 1.00 0.00 C ATOM 923 O GLU A 57 -7.546 4.472 0.941 1.00 0.00 O ATOM 924 CB GLU A 57 -6.469 5.757 3.660 1.00 0.00 C ATOM 925 CG GLU A 57 -6.353 5.792 5.176 1.00 0.00 C ATOM 926 CD GLU A 57 -7.587 6.368 5.844 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.705 6.115 5.345 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.437 7.069 6.866 1.00 0.00 O ATOM 0 H GLU A 57 -4.733 4.107 4.251 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.349 3.810 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.645 6.325 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.391 6.256 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.182 4.781 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.483 6.385 5.456 1.00 0.00 H new ATOM 935 N SER A 58 -5.297 4.400 0.946 1.00 0.00 N ATOM 936 CA SER A 58 -5.184 4.461 -0.507 1.00 0.00 C ATOM 937 C SER A 58 -5.210 3.062 -1.115 1.00 0.00 C ATOM 938 O SER A 58 -6.000 2.781 -2.017 1.00 0.00 O ATOM 939 CB SER A 58 -3.894 5.180 -0.909 1.00 0.00 C ATOM 940 OG SER A 58 -2.779 4.310 -0.830 1.00 0.00 O ATOM 0 H SER A 58 -4.405 4.350 1.437 1.00 0.00 H new ATOM 0 HA SER A 58 -6.038 5.019 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.989 5.563 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.735 6.040 -0.258 1.00 0.00 H new ATOM 0 HG SER A 58 -1.968 4.793 -1.093 1.00 0.00 H new ATOM 946 N LEU A 59 -4.342 2.189 -0.616 1.00 0.00 N ATOM 947 CA LEU A 59 -4.263 0.815 -1.105 1.00 0.00 C ATOM 948 C LEU A 59 -3.772 0.781 -2.554 1.00 0.00 C ATOM 949 O LEU A 59 -4.396 0.170 -3.422 1.00 0.00 O ATOM 950 CB LEU A 59 -5.633 0.127 -0.984 1.00 0.00 C ATOM 951 CG LEU A 59 -5.744 -0.982 0.077 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.669 -2.353 -0.574 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.666 -0.846 1.145 1.00 0.00 C ATOM 0 H LEU A 59 -3.681 2.408 0.129 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.544 0.272 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.381 0.889 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.889 -0.300 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.713 -0.874 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.749 -3.124 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.487 -2.463 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.717 -2.457 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.776 -1.646 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.683 -0.912 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.767 0.118 1.643 1.00 0.00 H new ATOM 965 N SER A 60 -2.644 1.438 -2.803 1.00 0.00 N ATOM 966 CA SER A 60 -2.061 1.483 -4.140 1.00 0.00 C ATOM 967 C SER A 60 -0.543 1.335 -4.069 1.00 0.00 C ATOM 968 O SER A 60 0.110 1.967 -3.239 1.00 0.00 O ATOM 969 CB SER A 60 -2.427 2.795 -4.836 1.00 0.00 C ATOM 970 OG SER A 60 -3.587 2.642 -5.638 1.00 0.00 O ATOM 0 H SER A 60 -2.114 1.947 -2.096 1.00 0.00 H new ATOM 0 HA SER A 60 -2.466 0.652 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.597 3.571 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.594 3.126 -5.456 1.00 0.00 H new ATOM 0 HG SER A 60 -3.801 3.495 -6.070 1.00 0.00 H new ATOM 976 N SER A 61 0.012 0.496 -4.937 1.00 0.00 N ATOM 977 CA SER A 61 1.454 0.272 -4.960 1.00 0.00 C ATOM 978 C SER A 61 2.149 1.261 -5.889 1.00 0.00 C ATOM 979 O SER A 61 2.418 0.955 -7.050 1.00 0.00 O ATOM 980 CB SER A 61 1.761 -1.162 -5.401 1.00 0.00 C ATOM 981 OG SER A 61 2.931 -1.650 -4.769 1.00 0.00 O ATOM 0 H SER A 61 -0.511 -0.038 -5.631 1.00 0.00 H new ATOM 0 HA SER A 61 1.834 0.426 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.917 -1.808 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.888 -1.194 -6.483 1.00 0.00 H new ATOM 0 HG SER A 61 3.285 -2.409 -5.278 1.00 0.00 H new ATOM 987 N ASP A 62 2.447 2.443 -5.363 1.00 0.00 N ATOM 988 CA ASP A 62 3.123 3.479 -6.134 1.00 0.00 C ATOM 989 C ASP A 62 4.381 3.955 -5.411 1.00 0.00 C ATOM 990 O ASP A 62 4.481 3.839 -4.193 1.00 0.00 O ATOM 991 CB ASP A 62 2.180 4.659 -6.380 1.00 0.00 C ATOM 992 CG ASP A 62 1.600 4.651 -7.780 1.00 0.00 C ATOM 993 OD1 ASP A 62 0.616 3.917 -8.011 1.00 0.00 O ATOM 994 OD2 ASP A 62 2.127 5.381 -8.645 1.00 0.00 O ATOM 0 H ASP A 62 2.230 2.708 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 62 3.415 3.054 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.368 4.630 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.720 5.592 -6.218 1.00 0.00 H new ATOM 999 N PRO A 63 5.363 4.491 -6.151 1.00 0.00 N ATOM 1000 CA PRO A 63 6.610 4.977 -5.575 1.00 0.00 C ATOM 1001 C PRO A 63 6.535 6.443 -5.150 1.00 0.00 C ATOM 1002 O PRO A 63 6.932 6.797 -4.038 1.00 0.00 O ATOM 1003 CB PRO A 63 7.594 4.802 -6.724 1.00 0.00 C ATOM 1004 CG PRO A 63 6.779 4.977 -7.967 1.00 0.00 C ATOM 1005 CD PRO A 63 5.342 4.658 -7.614 1.00 0.00 C ATOM 0 HA PRO A 63 6.880 4.443 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.396 5.538 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.062 3.818 -6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.865 5.997 -8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.136 4.316 -8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.669 5.461 -7.914 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.000 3.752 -8.114 1.00 0.00 H new ATOM 1013 N GLU A 64 6.027 7.293 -6.039 1.00 0.00 N ATOM 1014 CA GLU A 64 5.904 8.719 -5.751 1.00 0.00 C ATOM 1015 C GLU A 64 4.791 8.975 -4.743 1.00 0.00 C ATOM 1016 O GLU A 64 4.933 9.802 -3.842 1.00 0.00 O ATOM 1017 CB GLU A 64 5.626 9.507 -7.037 1.00 0.00 C ATOM 1018 CG GLU A 64 6.301 8.928 -8.272 1.00 0.00 C ATOM 1019 CD GLU A 64 7.023 9.980 -9.091 1.00 0.00 C ATOM 1020 OE1 GLU A 64 8.098 10.441 -8.651 1.00 0.00 O ATOM 1021 OE2 GLU A 64 6.513 10.343 -10.172 1.00 0.00 O ATOM 0 H GLU A 64 5.694 7.019 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 64 6.849 9.056 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.550 9.541 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.960 10.536 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.012 8.160 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.552 8.439 -8.895 1.00 0.00 H new ATOM 1028 N VAL A 65 3.683 8.259 -4.903 1.00 0.00 N ATOM 1029 CA VAL A 65 2.541 8.405 -4.005 1.00 0.00 C ATOM 1030 C VAL A 65 2.958 8.216 -2.551 1.00 0.00 C ATOM 1031 O VAL A 65 2.316 8.736 -1.638 1.00 0.00 O ATOM 1032 CB VAL A 65 1.428 7.392 -4.340 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.209 7.629 -3.463 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.050 7.472 -5.812 1.00 0.00 C ATOM 0 H VAL A 65 3.551 7.572 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 65 2.158 9.416 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 65 1.808 6.390 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.566 6.905 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.487 7.515 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.169 8.638 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.263 6.749 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.692 8.476 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.924 7.249 -6.425 1.00 0.00 H new ATOM 1044 N LEU A 66 4.035 7.467 -2.343 1.00 0.00 N ATOM 1045 CA LEU A 66 4.536 7.204 -1.001 1.00 0.00 C ATOM 1046 C LEU A 66 5.435 8.337 -0.519 1.00 0.00 C ATOM 1047 O LEU A 66 5.515 8.611 0.677 1.00 0.00 O ATOM 1048 CB LEU A 66 5.295 5.875 -0.978 1.00 0.00 C ATOM 1049 CG LEU A 66 4.440 4.645 -1.287 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.200 3.362 -0.983 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.145 4.688 -0.499 1.00 0.00 C ATOM 0 H LEU A 66 4.578 7.031 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 66 3.685 7.140 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.110 5.925 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.748 5.748 0.005 1.00 0.00 H new ATOM 0 HG LEU A 66 4.204 4.657 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.569 2.503 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.103 3.321 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.472 3.342 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.549 3.806 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.369 4.705 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.586 5.584 -0.767 1.00 0.00 H new ATOM 1063 N LEU A 67 6.110 8.995 -1.457 1.00 0.00 N ATOM 1064 CA LEU A 67 7.000 10.099 -1.123 1.00 0.00 C ATOM 1065 C LEU A 67 6.236 11.221 -0.425 1.00 0.00 C ATOM 1066 O LEU A 67 6.752 11.865 0.488 1.00 0.00 O ATOM 1067 CB LEU A 67 7.673 10.637 -2.385 1.00 0.00 C ATOM 1068 CG LEU A 67 9.026 11.314 -2.161 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.904 12.418 -1.121 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.069 10.291 -1.738 1.00 0.00 C ATOM 0 H LEU A 67 6.057 8.782 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 67 7.764 9.724 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.808 9.813 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.001 11.352 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 67 9.348 11.763 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.876 12.889 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.188 13.164 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.561 11.993 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.026 10.790 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.754 9.813 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.175 9.536 -2.517 1.00 0.00 H new ATOM 1082 N GLN A 68 5.003 11.450 -0.865 1.00 0.00 N ATOM 1083 CA GLN A 68 4.164 12.496 -0.288 1.00 0.00 C ATOM 1084 C GLN A 68 3.621 12.083 1.080 1.00 0.00 C ATOM 1085 O GLN A 68 3.197 12.929 1.867 1.00 0.00 O ATOM 1086 CB GLN A 68 3.005 12.822 -1.230 1.00 0.00 C ATOM 1087 CG GLN A 68 3.452 13.352 -2.584 1.00 0.00 C ATOM 1088 CD GLN A 68 3.804 14.825 -2.545 1.00 0.00 C ATOM 1089 OE1 GLN A 68 4.965 15.202 -2.703 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.800 15.669 -2.337 1.00 0.00 N ATOM 0 H GLN A 68 4.562 10.925 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 68 4.782 13.384 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.406 11.924 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.359 13.560 -0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.318 12.784 -2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.658 13.191 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.852 15.313 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.976 16.673 -2.303 1.00 0.00 H new ATOM 1099 N ILE A 69 3.635 10.782 1.358 1.00 0.00 N ATOM 1100 CA ILE A 69 3.139 10.271 2.631 1.00 0.00 C ATOM 1101 C ILE A 69 3.985 10.782 3.794 1.00 0.00 C ATOM 1102 O ILE A 69 5.212 10.825 3.712 1.00 0.00 O ATOM 1103 CB ILE A 69 3.131 8.727 2.653 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.372 8.181 1.443 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.516 8.215 3.949 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.884 8.457 1.480 1.00 0.00 C ATOM 0 H ILE A 69 3.983 10.065 0.721 1.00 0.00 H new ATOM 0 HA ILE A 69 2.117 10.633 2.742 1.00 0.00 H new ATOM 0 HB ILE A 69 4.161 8.374 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.791 8.617 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.531 7.104 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.519 7.125 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.098 8.578 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.491 8.575 4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.414 8.040 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.451 7.997 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.714 9.533 1.509 1.00 0.00 H new ATOM 1118 N ASP A 70 3.319 11.171 4.877 1.00 0.00 N ATOM 1119 CA ASP A 70 4.007 11.684 6.058 1.00 0.00 C ATOM 1120 C ASP A 70 4.897 10.611 6.677 1.00 0.00 C ATOM 1121 O ASP A 70 4.450 9.495 6.941 1.00 0.00 O ATOM 1122 CB ASP A 70 2.992 12.179 7.089 1.00 0.00 C ATOM 1123 CG ASP A 70 2.284 13.443 6.642 1.00 0.00 C ATOM 1124 OD1 ASP A 70 2.150 13.648 5.418 1.00 0.00 O ATOM 1125 OD2 ASP A 70 1.861 14.228 7.517 1.00 0.00 O ATOM 0 H ASP A 70 2.303 11.141 4.962 1.00 0.00 H new ATOM 0 HA ASP A 70 4.636 12.518 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.254 11.398 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.500 12.366 8.035 1.00 0.00 H new ATOM 1130 N GLY A 71 6.159 10.959 6.907 1.00 0.00 N ATOM 1131 CA GLY A 71 7.093 10.015 7.495 1.00 0.00 C ATOM 1132 C GLY A 71 7.922 9.292 6.452 1.00 0.00 C ATOM 1133 O GLY A 71 9.049 8.876 6.722 1.00 0.00 O ATOM 0 H GLY A 71 6.552 11.877 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.757 10.544 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.542 9.284 8.087 1.00 0.00 H new ATOM 1137 N VAL A 72 7.364 9.143 5.255 1.00 0.00 N ATOM 1138 CA VAL A 72 8.057 8.465 4.166 1.00 0.00 C ATOM 1139 C VAL A 72 8.950 9.436 3.399 1.00 0.00 C ATOM 1140 O VAL A 72 8.528 10.538 3.050 1.00 0.00 O ATOM 1141 CB VAL A 72 7.062 7.817 3.184 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.778 6.851 2.253 1.00 0.00 C ATOM 1143 CG2 VAL A 72 5.947 7.109 3.939 1.00 0.00 C ATOM 0 H VAL A 72 6.433 9.483 5.015 1.00 0.00 H new ATOM 0 HA VAL A 72 8.671 7.685 4.616 1.00 0.00 H new ATOM 0 HB VAL A 72 6.617 8.607 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.057 6.404 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.535 7.389 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.255 6.066 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.255 6.658 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.373 6.332 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.412 7.829 4.558 1.00 0.00 H new ATOM 1153 N THR A 73 10.185 9.019 3.144 1.00 0.00 N ATOM 1154 CA THR A 73 11.137 9.853 2.420 1.00 0.00 C ATOM 1155 C THR A 73 11.774 9.080 1.269 1.00 0.00 C ATOM 1156 O THR A 73 11.445 7.917 1.030 1.00 0.00 O ATOM 1157 CB THR A 73 12.221 10.368 3.367 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.643 9.345 4.251 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.774 11.544 4.208 1.00 0.00 C ATOM 0 H THR A 73 10.550 8.110 3.427 1.00 0.00 H new ATOM 0 HA THR A 73 10.594 10.703 2.006 1.00 0.00 H new ATOM 0 HB THR A 73 13.036 10.693 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.588 9.477 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.591 11.859 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.489 12.370 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.919 11.251 4.817 1.00 0.00 H new ATOM 1167 N GLU A 74 12.688 9.733 0.559 1.00 0.00 N ATOM 1168 CA GLU A 74 13.372 9.108 -0.567 1.00 0.00 C ATOM 1169 C GLU A 74 14.198 7.911 -0.108 1.00 0.00 C ATOM 1170 O GLU A 74 14.358 6.937 -0.844 1.00 0.00 O ATOM 1171 CB GLU A 74 14.273 10.124 -1.270 1.00 0.00 C ATOM 1172 CG GLU A 74 13.508 11.244 -1.957 1.00 0.00 C ATOM 1173 CD GLU A 74 13.669 12.578 -1.256 1.00 0.00 C ATOM 1174 OE1 GLU A 74 14.788 12.867 -0.779 1.00 0.00 O ATOM 1175 OE2 GLU A 74 12.679 13.335 -1.184 1.00 0.00 O ATOM 0 H GLU A 74 12.972 10.695 0.744 1.00 0.00 H new ATOM 0 HA GLU A 74 12.615 8.756 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.957 10.557 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.883 9.605 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.853 11.335 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.450 10.985 -1.997 1.00 0.00 H new ATOM 1182 N ASP A 75 14.722 7.989 1.111 1.00 0.00 N ATOM 1183 CA ASP A 75 15.535 6.911 1.666 1.00 0.00 C ATOM 1184 C ASP A 75 14.667 5.722 2.068 1.00 0.00 C ATOM 1185 O ASP A 75 15.072 4.570 1.923 1.00 0.00 O ATOM 1186 CB ASP A 75 16.326 7.411 2.875 1.00 0.00 C ATOM 1187 CG ASP A 75 15.450 8.128 3.884 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.236 9.348 3.724 1.00 0.00 O ATOM 1189 OD2 ASP A 75 14.978 7.470 4.835 1.00 0.00 O ATOM 0 H ASP A 75 14.599 8.787 1.734 1.00 0.00 H new ATOM 0 HA ASP A 75 16.231 6.583 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.816 6.566 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.113 8.085 2.537 1.00 0.00 H new ATOM 1194 N LYS A 76 13.473 6.009 2.575 1.00 0.00 N ATOM 1195 CA LYS A 76 12.550 4.961 2.997 1.00 0.00 C ATOM 1196 C LYS A 76 11.932 4.260 1.790 1.00 0.00 C ATOM 1197 O LYS A 76 11.627 3.068 1.841 1.00 0.00 O ATOM 1198 CB LYS A 76 11.448 5.548 3.880 1.00 0.00 C ATOM 1199 CG LYS A 76 11.973 6.405 5.021 1.00 0.00 C ATOM 1200 CD LYS A 76 11.437 5.939 6.366 1.00 0.00 C ATOM 1201 CE LYS A 76 12.492 5.181 7.155 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.212 6.066 8.114 1.00 0.00 N ATOM 0 H LYS A 76 13.121 6.958 2.704 1.00 0.00 H new ATOM 0 HA LYS A 76 13.113 4.226 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.781 6.149 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.852 4.734 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.062 6.370 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.689 7.444 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.100 6.800 6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.568 5.299 6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.020 4.363 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.208 4.733 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.224 6.084 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.825 7.030 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.090 5.703 9.081 1.00 0.00 H new ATOM 1216 N LEU A 77 11.752 5.009 0.708 1.00 0.00 N ATOM 1217 CA LEU A 77 11.171 4.462 -0.514 1.00 0.00 C ATOM 1218 C LEU A 77 12.246 3.830 -1.399 1.00 0.00 C ATOM 1219 O LEU A 77 11.943 3.013 -2.268 1.00 0.00 O ATOM 1220 CB LEU A 77 10.438 5.564 -1.284 1.00 0.00 C ATOM 1221 CG LEU A 77 9.192 5.112 -2.051 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.531 3.977 -3.005 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.088 4.690 -1.093 1.00 0.00 C ATOM 0 H LEU A 77 12.000 5.997 0.651 1.00 0.00 H new ATOM 0 HA LEU A 77 10.460 3.684 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.148 6.344 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.135 6.015 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 77 8.831 5.958 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.632 3.671 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.282 4.314 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.923 3.131 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.214 4.373 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.438 3.863 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.820 5.531 -0.454 1.00 0.00 H new ATOM 1235 N GLU A 78 13.501 4.209 -1.176 1.00 0.00 N ATOM 1236 CA GLU A 78 14.609 3.673 -1.960 1.00 0.00 C ATOM 1237 C GLU A 78 15.198 2.430 -1.298 1.00 0.00 C ATOM 1238 O GLU A 78 15.716 1.542 -1.976 1.00 0.00 O ATOM 1239 CB GLU A 78 15.700 4.732 -2.137 1.00 0.00 C ATOM 1240 CG GLU A 78 15.419 5.712 -3.263 1.00 0.00 C ATOM 1241 CD GLU A 78 16.423 6.849 -3.311 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.564 6.651 -2.844 1.00 0.00 O ATOM 1243 OE2 GLU A 78 16.065 7.935 -3.811 1.00 0.00 O ATOM 0 H GLU A 78 13.776 4.883 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 78 14.221 3.393 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.812 5.285 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.650 4.234 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.432 5.180 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.417 6.122 -3.141 1.00 0.00 H new ATOM 1250 N LYS A 79 15.125 2.377 0.028 1.00 0.00 N ATOM 1251 CA LYS A 79 15.659 1.244 0.778 1.00 0.00 C ATOM 1252 C LYS A 79 14.568 0.225 1.097 1.00 0.00 C ATOM 1253 O LYS A 79 14.669 -0.944 0.723 1.00 0.00 O ATOM 1254 CB LYS A 79 16.311 1.728 2.075 1.00 0.00 C ATOM 1255 CG LYS A 79 17.070 0.643 2.820 1.00 0.00 C ATOM 1256 CD LYS A 79 17.238 0.989 4.291 1.00 0.00 C ATOM 1257 CE LYS A 79 18.648 0.692 4.776 1.00 0.00 C ATOM 1258 NZ LYS A 79 18.673 0.326 6.220 1.00 0.00 N ATOM 0 H LYS A 79 14.702 3.104 0.605 1.00 0.00 H new ATOM 0 HA LYS A 79 16.409 0.757 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.995 2.544 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.540 2.134 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.538 -0.304 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.050 0.505 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.014 2.044 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.521 0.421 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.070 -0.123 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.280 1.565 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.616 0.525 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.960 0.884 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.461 -0.687 6.325 1.00 0.00 H new ATOM 1272 N TYR A 80 13.530 0.673 1.794 1.00 0.00 N ATOM 1273 CA TYR A 80 12.426 -0.203 2.169 1.00 0.00 C ATOM 1274 C TYR A 80 11.403 -0.334 1.040 1.00 0.00 C ATOM 1275 O TYR A 80 10.468 -1.129 1.132 1.00 0.00 O ATOM 1276 CB TYR A 80 11.740 0.324 3.432 1.00 0.00 C ATOM 1277 CG TYR A 80 12.683 0.501 4.599 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.500 -0.540 5.021 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.755 1.710 5.281 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.364 -0.382 6.089 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.617 1.875 6.349 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.417 0.827 6.749 1.00 0.00 C ATOM 1283 OH TYR A 80 15.277 0.988 7.812 1.00 0.00 O ATOM 0 H TYR A 80 13.430 1.637 2.111 1.00 0.00 H new ATOM 0 HA TYR A 80 12.840 -1.192 2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.268 1.281 3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.945 -0.364 3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.460 -1.489 4.506 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.128 2.533 4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.994 -1.201 6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.663 2.821 6.868 1.00 0.00 H new ATOM 0 HH TYR A 80 15.193 1.898 8.166 1.00 0.00 H new ATOM 1293 N GLY A 81 11.583 0.445 -0.024 1.00 0.00 N ATOM 1294 CA GLY A 81 10.663 0.392 -1.145 1.00 0.00 C ATOM 1295 C GLY A 81 10.558 -0.993 -1.752 1.00 0.00 C ATOM 1296 O GLY A 81 9.460 -1.489 -1.998 1.00 0.00 O ATOM 0 H GLY A 81 12.349 1.111 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.676 0.715 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.989 1.096 -1.911 1.00 0.00 H new ATOM 1300 N ALA A 82 11.706 -1.614 -2.000 1.00 0.00 N ATOM 1301 CA ALA A 82 11.746 -2.948 -2.592 1.00 0.00 C ATOM 1302 C ALA A 82 10.917 -3.946 -1.787 1.00 0.00 C ATOM 1303 O ALA A 82 10.438 -4.944 -2.327 1.00 0.00 O ATOM 1304 CB ALA A 82 13.183 -3.428 -2.706 1.00 0.00 C ATOM 0 H ALA A 82 12.623 -1.215 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 82 11.310 -2.883 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.200 -4.424 -3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.747 -2.741 -3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.634 -3.464 -1.714 1.00 0.00 H new ATOM 1310 N GLU A 83 10.756 -3.680 -0.494 1.00 0.00 N ATOM 1311 CA GLU A 83 9.991 -4.568 0.374 1.00 0.00 C ATOM 1312 C GLU A 83 8.549 -4.091 0.530 1.00 0.00 C ATOM 1313 O GLU A 83 7.610 -4.798 0.164 1.00 0.00 O ATOM 1314 CB GLU A 83 10.662 -4.680 1.744 1.00 0.00 C ATOM 1315 CG GLU A 83 10.977 -6.112 2.152 1.00 0.00 C ATOM 1316 CD GLU A 83 9.748 -6.999 2.175 1.00 0.00 C ATOM 1317 OE1 GLU A 83 9.128 -7.185 1.107 1.00 0.00 O ATOM 1318 OE2 GLU A 83 9.406 -7.510 3.263 1.00 0.00 O ATOM 0 H GLU A 83 11.143 -2.860 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 83 9.969 -5.552 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.586 -4.102 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.012 -4.231 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.708 -6.530 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.437 -6.111 3.140 1.00 0.00 H new ATOM 1325 N VAL A 84 8.375 -2.889 1.079 1.00 0.00 N ATOM 1326 CA VAL A 84 7.041 -2.328 1.286 1.00 0.00 C ATOM 1327 C VAL A 84 6.180 -2.467 0.033 1.00 0.00 C ATOM 1328 O VAL A 84 5.017 -2.862 0.107 1.00 0.00 O ATOM 1329 CB VAL A 84 7.104 -0.838 1.677 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.817 -0.659 3.005 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.786 -0.024 0.591 1.00 0.00 C ATOM 0 H VAL A 84 9.139 -2.287 1.387 1.00 0.00 H new ATOM 0 HA VAL A 84 6.593 -2.894 2.102 1.00 0.00 H new ATOM 0 HB VAL A 84 6.082 -0.474 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.850 0.400 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.281 -1.204 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.833 -1.045 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.819 1.024 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.802 -0.392 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.227 -0.119 -0.340 1.00 0.00 H new ATOM 1341 N ILE A 85 6.764 -2.136 -1.114 1.00 0.00 N ATOM 1342 CA ILE A 85 6.059 -2.217 -2.386 1.00 0.00 C ATOM 1343 C ILE A 85 5.724 -3.661 -2.740 1.00 0.00 C ATOM 1344 O ILE A 85 4.722 -3.929 -3.402 1.00 0.00 O ATOM 1345 CB ILE A 85 6.893 -1.594 -3.521 1.00 0.00 C ATOM 1346 CG1 ILE A 85 7.346 -0.179 -3.125 1.00 0.00 C ATOM 1347 CG2 ILE A 85 6.098 -1.582 -4.823 1.00 0.00 C ATOM 1348 CD1 ILE A 85 6.536 0.939 -3.751 1.00 0.00 C ATOM 0 H ILE A 85 7.727 -1.808 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 85 5.131 -1.656 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 85 7.783 -2.201 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.294 -0.085 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.392 -0.054 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.702 -1.138 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.834 -2.603 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.189 -0.996 -4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.925 1.901 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.607 0.876 -4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.493 0.845 -3.450 1.00 0.00 H new ATOM 1360 N SER A 86 6.563 -4.589 -2.294 1.00 0.00 N ATOM 1361 CA SER A 86 6.344 -6.005 -2.565 1.00 0.00 C ATOM 1362 C SER A 86 4.982 -6.445 -2.036 1.00 0.00 C ATOM 1363 O SER A 86 4.336 -7.325 -2.606 1.00 0.00 O ATOM 1364 CB SER A 86 7.449 -6.846 -1.924 1.00 0.00 C ATOM 1365 OG SER A 86 7.654 -8.051 -2.643 1.00 0.00 O ATOM 0 H SER A 86 7.399 -4.387 -1.745 1.00 0.00 H new ATOM 0 HA SER A 86 6.367 -6.156 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.376 -6.273 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.184 -7.075 -0.892 1.00 0.00 H new ATOM 0 HG SER A 86 8.366 -8.570 -2.215 1.00 0.00 H new ATOM 1371 N VAL A 87 4.554 -5.822 -0.944 1.00 0.00 N ATOM 1372 CA VAL A 87 3.268 -6.139 -0.332 1.00 0.00 C ATOM 1373 C VAL A 87 2.153 -5.265 -0.902 1.00 0.00 C ATOM 1374 O VAL A 87 0.977 -5.622 -0.832 1.00 0.00 O ATOM 1375 CB VAL A 87 3.312 -5.957 1.197 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.069 -6.549 1.841 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.571 -6.584 1.776 1.00 0.00 C ATOM 0 H VAL A 87 5.080 -5.092 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 87 3.061 -7.184 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 87 3.334 -4.889 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.118 -6.411 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.183 -6.048 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.013 -7.614 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.583 -6.445 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.585 -7.650 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.449 -6.108 1.339 1.00 0.00 H new ATOM 1387 N LEU A 88 2.526 -4.116 -1.461 1.00 0.00 N ATOM 1388 CA LEU A 88 1.552 -3.193 -2.033 1.00 0.00 C ATOM 1389 C LEU A 88 1.093 -3.649 -3.414 1.00 0.00 C ATOM 1390 O LEU A 88 -0.030 -3.362 -3.828 1.00 0.00 O ATOM 1391 CB LEU A 88 2.137 -1.782 -2.117 1.00 0.00 C ATOM 1392 CG LEU A 88 1.986 -0.944 -0.845 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.333 -0.414 -0.383 1.00 0.00 C ATOM 1394 CD2 LEU A 88 1.013 0.204 -1.076 1.00 0.00 C ATOM 0 H LEU A 88 3.494 -3.803 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 88 0.684 -3.182 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.197 -1.858 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.657 -1.254 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 88 1.586 -1.586 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.200 0.178 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.001 -1.250 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.766 0.210 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.917 0.790 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.386 0.841 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.038 -0.196 -1.354 1.00 0.00 H new ATOM 1406 N GLN A 89 1.964 -4.357 -4.125 1.00 0.00 N ATOM 1407 CA GLN A 89 1.636 -4.848 -5.461 1.00 0.00 C ATOM 1408 C GLN A 89 0.287 -5.562 -5.466 1.00 0.00 C ATOM 1409 O GLN A 89 -0.407 -5.593 -6.482 1.00 0.00 O ATOM 1410 CB GLN A 89 2.731 -5.794 -5.961 1.00 0.00 C ATOM 1411 CG GLN A 89 2.466 -6.351 -7.352 1.00 0.00 C ATOM 1412 CD GLN A 89 3.443 -5.830 -8.389 1.00 0.00 C ATOM 1413 OE1 GLN A 89 4.470 -5.240 -8.051 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.127 -6.047 -9.661 1.00 0.00 N ATOM 0 H GLN A 89 2.899 -4.604 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 89 1.572 -3.990 -6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.683 -5.264 -5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.832 -6.623 -5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.523 -7.439 -7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.451 -6.094 -7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.266 -6.540 -9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.746 -5.720 -10.403 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.077 -6.133 -4.322 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.342 -6.845 -4.191 1.00 0.00 C ATOM 1425 C LYS A 90 -2.518 -5.873 -4.176 1.00 0.00 C ATOM 1426 O LYS A 90 -3.616 -6.209 -4.612 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.346 -7.691 -2.916 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.140 -8.608 -2.790 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.481 -9.876 -2.023 1.00 0.00 C ATOM 1430 CE LYS A 90 0.141 -9.874 -0.636 1.00 0.00 C ATOM 1431 NZ LYS A 90 1.405 -10.660 -0.592 1.00 0.00 N ATOM 0 H LYS A 90 0.487 -6.116 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.450 -7.501 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.380 -7.029 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.254 -8.294 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.225 -8.869 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.668 -8.081 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.564 -9.970 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.129 -10.745 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.341 -8.847 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.569 -10.288 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.797 -10.633 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.210 -11.646 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.092 -10.250 -1.257 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.283 -4.667 -3.667 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.329 -3.653 -3.595 1.00 0.00 C ATOM 1447 C TYR A 91 -3.637 -3.085 -4.976 1.00 0.00 C ATOM 1448 O TYR A 91 -4.800 -2.922 -5.346 1.00 0.00 O ATOM 1449 CB TYR A 91 -2.914 -2.518 -2.655 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.305 -2.982 -1.350 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.646 -4.208 -0.791 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.384 -2.189 -0.677 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.086 -4.629 0.402 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -0.821 -2.602 0.514 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.175 -3.822 1.048 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.614 -4.237 2.235 1.00 0.00 O ATOM 0 H TYR A 91 -1.379 -4.369 -3.299 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.227 -4.131 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.197 -1.879 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.788 -1.905 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.360 -4.842 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.103 -1.233 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.361 -5.584 0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.107 -1.972 1.024 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.504 -3.467 2.832 1.00 0.00 H new ATOM 1466 N SER A 92 -2.589 -2.775 -5.729 1.00 0.00 N ATOM 1467 CA SER A 92 -2.745 -2.211 -7.066 1.00 0.00 C ATOM 1468 C SER A 92 -3.470 -3.177 -8.000 1.00 0.00 C ATOM 1469 O SER A 92 -4.088 -2.757 -8.979 1.00 0.00 O ATOM 1470 CB SER A 92 -1.378 -1.851 -7.651 1.00 0.00 C ATOM 1471 OG SER A 92 -0.986 -0.546 -7.265 1.00 0.00 O ATOM 0 H SER A 92 -1.620 -2.904 -5.437 1.00 0.00 H new ATOM 0 HA SER A 92 -3.350 -1.309 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.633 -2.572 -7.314 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.416 -1.916 -8.738 1.00 0.00 H new ATOM 0 HG SER A 92 -0.109 -0.341 -7.650 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.388 -4.470 -7.704 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.035 -5.482 -8.534 1.00 0.00 C ATOM 1479 C GLU A 93 -5.407 -5.864 -7.981 1.00 0.00 C ATOM 1480 O GLU A 93 -6.285 -6.300 -8.728 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.152 -6.727 -8.644 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.939 -7.442 -7.321 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.813 -8.456 -7.381 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -0.648 -8.040 -7.550 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -2.096 -9.667 -7.260 1.00 0.00 O ATOM 0 H GLU A 93 -2.883 -4.841 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.176 -5.054 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.604 -7.421 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.183 -6.440 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.720 -6.707 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.861 -7.946 -7.032 1.00 0.00 H new ATOM 1492 N TRP A 94 -5.590 -5.701 -6.674 1.00 0.00 N ATOM 1493 CA TRP A 94 -6.861 -6.036 -6.037 1.00 0.00 C ATOM 1494 C TRP A 94 -7.732 -4.794 -5.840 1.00 0.00 C ATOM 1495 O TRP A 94 -8.898 -4.902 -5.456 1.00 0.00 O ATOM 1496 CB TRP A 94 -6.618 -6.715 -4.688 1.00 0.00 C ATOM 1497 CG TRP A 94 -6.365 -8.188 -4.801 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -5.162 -8.800 -5.007 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -7.338 -9.235 -4.712 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -5.329 -10.164 -5.053 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -6.656 -10.455 -4.875 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -8.721 -9.259 -4.511 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -7.309 -11.685 -4.841 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -9.369 -10.481 -4.479 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -8.662 -11.678 -4.643 1.00 0.00 C ATOM 0 H TRP A 94 -4.879 -5.341 -6.038 1.00 0.00 H new ATOM 0 HA TRP A 94 -7.390 -6.723 -6.698 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -5.765 -6.243 -4.201 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -7.483 -6.550 -4.046 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -4.218 -8.288 -5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -4.586 -10.848 -5.196 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -9.274 -8.340 -4.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -6.766 -12.610 -4.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -10.438 -10.512 -4.325 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.197 -12.616 -4.612 1.00 0.00 H new ATOM 1516 N THR A 95 -7.168 -3.618 -6.100 1.00 0.00 N ATOM 1517 CA THR A 95 -7.905 -2.368 -5.944 1.00 0.00 C ATOM 1518 C THR A 95 -9.035 -2.265 -6.962 1.00 0.00 C ATOM 1519 O THR A 95 -10.143 -1.844 -6.632 1.00 0.00 O ATOM 1520 CB THR A 95 -6.964 -1.174 -6.087 1.00 0.00 C ATOM 1521 OG1 THR A 95 -7.682 0.044 -5.991 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.217 -1.164 -7.397 1.00 0.00 C ATOM 0 H THR A 95 -6.206 -3.504 -6.419 1.00 0.00 H new ATOM 0 HA THR A 95 -8.342 -2.360 -4.945 1.00 0.00 H new ATOM 0 HB THR A 95 -6.243 -1.271 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.062 0.797 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.565 -0.291 -7.438 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.616 -2.070 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.929 -1.124 -8.221 1.00 0.00 H new ATOM 1530 N SER A 96 -8.748 -2.651 -8.203 1.00 0.00 N ATOM 1531 CA SER A 96 -9.745 -2.598 -9.267 1.00 0.00 C ATOM 1532 C SER A 96 -10.227 -4.001 -9.633 1.00 0.00 C ATOM 1533 O SER A 96 -9.423 -4.919 -9.794 1.00 0.00 O ATOM 1534 CB SER A 96 -9.164 -1.908 -10.503 1.00 0.00 C ATOM 1535 OG SER A 96 -10.136 -1.092 -11.135 1.00 0.00 O ATOM 0 H SER A 96 -7.836 -3.003 -8.495 1.00 0.00 H new ATOM 0 HA SER A 96 -10.597 -2.024 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.306 -1.300 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.802 -2.658 -11.206 1.00 0.00 H new ATOM 0 HG SER A 96 -9.740 -0.661 -11.921 1.00 0.00 H new ATOM 1541 N PRO A 97 -11.553 -4.187 -9.771 1.00 0.00 N ATOM 1542 CA PRO A 97 -12.135 -5.487 -10.120 1.00 0.00 C ATOM 1543 C PRO A 97 -11.935 -5.833 -11.592 1.00 0.00 C ATOM 1544 O PRO A 97 -11.155 -5.188 -12.292 1.00 0.00 O ATOM 1545 CB PRO A 97 -13.618 -5.301 -9.809 1.00 0.00 C ATOM 1546 CG PRO A 97 -13.860 -3.845 -10.008 1.00 0.00 C ATOM 1547 CD PRO A 97 -12.590 -3.149 -9.598 1.00 0.00 C ATOM 0 HA PRO A 97 -11.670 -6.306 -9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.241 -5.901 -10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.851 -5.607 -8.789 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.104 -3.629 -11.048 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.702 -3.504 -9.406 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.392 -2.277 -10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.639 -2.800 -8.567 1.00 0.00 H new ATOM 1555 N ALA A 98 -12.648 -6.854 -12.057 1.00 0.00 N ATOM 1556 CA ALA A 98 -12.551 -7.286 -13.447 1.00 0.00 C ATOM 1557 C ALA A 98 -11.148 -7.787 -13.771 1.00 0.00 C ATOM 1558 O ALA A 98 -10.167 -7.062 -13.613 1.00 0.00 O ATOM 1559 CB ALA A 98 -12.935 -6.147 -14.383 1.00 0.00 C ATOM 0 H ALA A 98 -13.300 -7.398 -11.491 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.246 -8.113 -13.593 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.858 -6.484 -15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.960 -5.837 -14.178 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.262 -5.304 -14.225 1.00 0.00 H new ATOM 1565 N GLU A 99 -11.062 -9.034 -14.224 1.00 0.00 N ATOM 1566 CA GLU A 99 -9.779 -9.633 -14.571 1.00 0.00 C ATOM 1567 C GLU A 99 -9.390 -9.294 -16.006 1.00 0.00 C ATOM 1568 O GLU A 99 -10.241 -9.238 -16.894 1.00 0.00 O ATOM 1569 CB GLU A 99 -9.836 -11.153 -14.392 1.00 0.00 C ATOM 1570 CG GLU A 99 -8.521 -11.851 -14.700 1.00 0.00 C ATOM 1571 CD GLU A 99 -8.640 -12.848 -15.835 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -9.075 -12.447 -16.935 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -8.300 -14.031 -15.624 1.00 0.00 O ATOM 0 H GLU A 99 -11.865 -9.648 -14.359 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.023 -9.223 -13.902 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.126 -11.379 -13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.613 -11.558 -15.040 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.769 -11.104 -14.955 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.169 -12.365 -13.806 1.00 0.00 H new ATOM 1580 N ASP A 100 -8.099 -9.067 -16.227 1.00 0.00 N ATOM 1581 CA ASP A 100 -7.599 -8.733 -17.555 1.00 0.00 C ATOM 1582 C ASP A 100 -6.095 -8.972 -17.649 1.00 0.00 C ATOM 1583 O ASP A 100 -5.389 -8.935 -16.641 1.00 0.00 O ATOM 1584 CB ASP A 100 -7.916 -7.273 -17.891 1.00 0.00 C ATOM 1585 CG ASP A 100 -7.566 -6.920 -19.322 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -8.099 -7.573 -20.243 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -6.756 -5.991 -19.523 1.00 0.00 O ATOM 0 H ASP A 100 -7.381 -9.108 -15.504 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.097 -9.382 -18.275 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.977 -7.086 -17.723 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.366 -6.620 -17.214 1.00 0.00 H new ATOM 1592 N SER A 101 -5.616 -9.217 -18.862 1.00 0.00 N ATOM 1593 CA SER A 101 -4.195 -9.463 -19.088 1.00 0.00 C ATOM 1594 C SER A 101 -3.698 -8.699 -20.310 1.00 0.00 C ATOM 1595 O SER A 101 -2.508 -8.852 -20.659 1.00 0.00 O ATOM 1596 CB SER A 101 -3.938 -10.960 -19.268 1.00 0.00 C ATOM 1597 OG SER A 101 -4.821 -11.517 -20.226 1.00 0.00 O ATOM 1598 OXT SER A 101 -4.502 -7.954 -20.908 1.00 0.00 O ATOM 0 H SER A 101 -6.189 -9.251 -19.705 1.00 0.00 H new ATOM 0 HA SER A 101 -3.647 -9.110 -18.214 1.00 0.00 H new ATOM 0 HB2 SER A 101 -2.907 -11.120 -19.583 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.063 -11.471 -18.313 1.00 0.00 H new ATOM 0 HG SER A 101 -4.635 -12.474 -20.324 1.00 0.00 H new TER 1604 SER A 101