USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 32 ASN : amide:sc= 0.804 K(o=1.4,f=-4.2!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.604 K(o=1.4,f=-6.6!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -179:sc= 0 (180deg=-0.0031) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -1.04 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc=-0.00631 X(o=-0.0063,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.023) USER MOD Single : A 61 GLN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.146 USER MOD Single : A 66 THR OG1 : rot -150:sc= -3.36! USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.2) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -165:sc= -2.88 (180deg=-3.82!) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= 1.76 (180deg=1.51) USER MOD Single : A 86 THR OG1 : rot -33:sc= 1.23 USER MOD Single : A 87 MET CE :methyl 159:sc= -0.138 (180deg=-0.681) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 13.228 1.766 7.131 1.00 0.00 N ATOM 2 CA GLU A 7 14.251 0.900 7.703 1.00 0.00 C ATOM 3 C GLU A 7 14.466 -0.283 6.791 1.00 0.00 C ATOM 4 O GLU A 7 13.512 -0.936 6.372 1.00 0.00 O ATOM 5 CB GLU A 7 13.871 0.412 9.123 1.00 0.00 C ATOM 6 CG GLU A 7 13.826 1.492 10.217 1.00 0.00 C ATOM 7 CD GLU A 7 12.782 2.548 9.978 1.00 0.00 C ATOM 8 OE1 GLU A 7 13.068 3.525 9.258 1.00 0.00 O ATOM 9 OE2 GLU A 7 11.648 2.406 10.444 1.00 0.00 O ATOM 0 HA GLU A 7 15.171 1.477 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.893 -0.066 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.585 -0.354 9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.635 1.016 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.804 1.969 10.286 1.00 0.00 H new ATOM 16 N THR A 8 15.693 -0.542 6.470 1.00 0.00 N ATOM 17 CA THR A 8 16.039 -1.618 5.609 1.00 0.00 C ATOM 18 C THR A 8 16.756 -2.722 6.383 1.00 0.00 C ATOM 19 O THR A 8 17.874 -2.538 6.871 1.00 0.00 O ATOM 20 CB THR A 8 16.901 -1.113 4.425 1.00 0.00 C ATOM 21 OG1 THR A 8 16.143 -0.149 3.666 1.00 0.00 O ATOM 22 CG2 THR A 8 17.338 -2.257 3.510 1.00 0.00 C ATOM 0 H THR A 8 16.491 -0.002 6.805 1.00 0.00 H new ATOM 0 HA THR A 8 15.121 -2.041 5.200 1.00 0.00 H new ATOM 0 HB THR A 8 17.802 -0.654 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.684 0.176 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.940 -1.860 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.928 -2.974 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.457 -2.754 3.103 1.00 0.00 H new ATOM 30 N MET A 9 16.077 -3.824 6.560 1.00 0.00 N ATOM 31 CA MET A 9 16.672 -4.989 7.196 1.00 0.00 C ATOM 32 C MET A 9 17.042 -6.004 6.135 1.00 0.00 C ATOM 33 O MET A 9 17.854 -6.902 6.364 1.00 0.00 O ATOM 34 CB MET A 9 15.729 -5.658 8.227 1.00 0.00 C ATOM 35 CG MET A 9 15.417 -4.849 9.487 1.00 0.00 C ATOM 36 SD MET A 9 14.432 -3.365 9.192 1.00 0.00 S ATOM 37 CE MET A 9 14.218 -2.802 10.874 1.00 0.00 C ATOM 0 H MET A 9 15.106 -3.948 6.274 1.00 0.00 H new ATOM 0 HA MET A 9 17.555 -4.645 7.735 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.788 -5.891 7.729 1.00 0.00 H new ATOM 0 HB3 MET A 9 16.172 -6.606 8.531 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.887 -5.488 10.193 1.00 0.00 H new ATOM 0 HG3 MET A 9 16.355 -4.560 9.961 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.612 -1.896 10.880 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.719 -3.577 11.456 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.193 -2.589 11.313 1.00 0.00 H new ATOM 47 N GLY A 10 16.447 -5.849 4.975 1.00 0.00 N ATOM 48 CA GLY A 10 16.678 -6.763 3.893 1.00 0.00 C ATOM 49 C GLY A 10 15.375 -7.218 3.328 1.00 0.00 C ATOM 50 O GLY A 10 14.964 -8.357 3.539 1.00 0.00 O ATOM 0 H GLY A 10 15.797 -5.093 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.272 -6.280 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.251 -7.621 4.246 1.00 0.00 H new ATOM 54 N ASN A 11 14.736 -6.312 2.612 1.00 0.00 N ATOM 55 CA ASN A 11 13.405 -6.502 2.050 1.00 0.00 C ATOM 56 C ASN A 11 12.367 -6.547 3.133 1.00 0.00 C ATOM 57 O ASN A 11 11.990 -7.603 3.649 1.00 0.00 O ATOM 58 CB ASN A 11 13.281 -7.677 1.059 1.00 0.00 C ATOM 59 CG ASN A 11 14.018 -7.433 -0.252 1.00 0.00 C ATOM 60 OD1 ASN A 11 15.054 -6.746 -0.304 1.00 0.00 O ATOM 61 ND2 ASN A 11 13.490 -7.968 -1.323 1.00 0.00 N ATOM 0 H ASN A 11 15.136 -5.398 2.398 1.00 0.00 H new ATOM 0 HA ASN A 11 13.217 -5.623 1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.672 -8.581 1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.227 -7.857 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.929 -7.827 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.640 -8.526 -1.248 1.00 0.00 H new ATOM 68 N VAL A 12 11.922 -5.388 3.474 1.00 0.00 N ATOM 69 CA VAL A 12 11.019 -5.162 4.523 1.00 0.00 C ATOM 70 C VAL A 12 9.888 -4.423 3.952 1.00 0.00 C ATOM 71 O VAL A 12 10.060 -3.447 3.218 1.00 0.00 O ATOM 72 CB VAL A 12 11.647 -4.338 5.693 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.601 -3.948 6.734 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.716 -5.140 6.366 1.00 0.00 C ATOM 0 H VAL A 12 12.200 -4.532 2.995 1.00 0.00 H new ATOM 0 HA VAL A 12 10.717 -6.118 4.950 1.00 0.00 H new ATOM 0 HB VAL A 12 12.066 -3.429 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.076 -3.376 7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.828 -3.341 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.150 -4.848 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.149 -4.559 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.285 -6.058 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.494 -5.388 5.644 1.00 0.00 H new ATOM 84 N THR A 13 8.780 -4.894 4.233 1.00 0.00 N ATOM 85 CA THR A 13 7.596 -4.341 3.818 1.00 0.00 C ATOM 86 C THR A 13 6.918 -3.816 5.054 1.00 0.00 C ATOM 87 O THR A 13 6.484 -4.577 5.928 1.00 0.00 O ATOM 88 CB THR A 13 6.779 -5.427 3.144 1.00 0.00 C ATOM 89 OG1 THR A 13 7.448 -5.901 1.944 1.00 0.00 O ATOM 90 CG2 THR A 13 5.364 -4.991 2.856 1.00 0.00 C ATOM 0 H THR A 13 8.661 -5.735 4.798 1.00 0.00 H new ATOM 0 HA THR A 13 7.728 -3.530 3.102 1.00 0.00 H new ATOM 0 HB THR A 13 6.705 -6.258 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.908 -6.602 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.823 -5.805 2.374 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.867 -4.728 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.378 -4.124 2.196 1.00 0.00 H new ATOM 98 N THR A 14 6.935 -2.553 5.182 1.00 0.00 N ATOM 99 CA THR A 14 6.360 -1.932 6.291 1.00 0.00 C ATOM 100 C THR A 14 4.867 -1.857 6.102 1.00 0.00 C ATOM 101 O THR A 14 4.369 -1.536 5.016 1.00 0.00 O ATOM 102 CB THR A 14 6.935 -0.549 6.476 1.00 0.00 C ATOM 103 OG1 THR A 14 8.377 -0.642 6.499 1.00 0.00 O ATOM 104 CG2 THR A 14 6.435 0.073 7.767 1.00 0.00 C ATOM 0 H THR A 14 7.356 -1.914 4.507 1.00 0.00 H new ATOM 0 HA THR A 14 6.581 -2.516 7.185 1.00 0.00 H new ATOM 0 HB THR A 14 6.616 0.086 5.649 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.761 0.252 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.862 1.069 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.348 0.145 7.739 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.736 -0.548 8.611 1.00 0.00 H new ATOM 112 N VAL A 15 4.181 -2.178 7.117 1.00 0.00 N ATOM 113 CA VAL A 15 2.781 -2.184 7.110 1.00 0.00 C ATOM 114 C VAL A 15 2.287 -1.145 8.039 1.00 0.00 C ATOM 115 O VAL A 15 2.809 -0.997 9.137 1.00 0.00 O ATOM 116 CB VAL A 15 2.250 -3.555 7.537 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.761 -3.518 7.777 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.571 -4.571 6.483 1.00 0.00 C ATOM 0 H VAL A 15 4.592 -2.454 8.009 1.00 0.00 H new ATOM 0 HA VAL A 15 2.428 -1.975 6.100 1.00 0.00 H new ATOM 0 HB VAL A 15 2.735 -3.831 8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.416 -4.507 8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.537 -2.800 8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.252 -3.220 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.192 -5.546 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.104 -4.280 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.651 -4.628 6.349 1.00 0.00 H new ATOM 128 N LEU A 16 1.340 -0.401 7.598 1.00 0.00 N ATOM 129 CA LEU A 16 0.705 0.502 8.452 1.00 0.00 C ATOM 130 C LEU A 16 -0.736 0.126 8.498 1.00 0.00 C ATOM 131 O LEU A 16 -1.492 0.364 7.552 1.00 0.00 O ATOM 132 CB LEU A 16 0.838 1.920 8.012 1.00 0.00 C ATOM 133 CG LEU A 16 0.324 2.883 9.041 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.314 3.057 10.159 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.059 4.167 8.432 1.00 0.00 C ATOM 0 H LEU A 16 0.993 -0.409 6.639 1.00 0.00 H new ATOM 0 HA LEU A 16 1.178 0.444 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.886 2.138 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.292 2.062 7.079 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.581 2.460 9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.916 3.760 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.493 2.095 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.252 3.442 9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.427 4.841 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.809 4.612 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.843 4.000 7.693 1.00 0.00 H new ATOM 147 N ILE A 17 -1.103 -0.464 9.556 1.00 0.00 N ATOM 148 CA ILE A 17 -2.413 -0.974 9.707 1.00 0.00 C ATOM 149 C ILE A 17 -3.184 -0.016 10.601 1.00 0.00 C ATOM 150 O ILE A 17 -2.691 0.410 11.633 1.00 0.00 O ATOM 151 CB ILE A 17 -2.284 -2.445 10.251 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.451 -3.364 9.926 1.00 0.00 C ATOM 153 CG2 ILE A 17 -1.890 -2.538 11.705 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.714 -3.073 10.666 1.00 0.00 C ATOM 0 H ILE A 17 -0.497 -0.614 10.363 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.977 -1.037 8.777 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.443 -2.829 9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.653 -3.304 8.857 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.154 -4.391 10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.824 -3.586 11.998 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.922 -2.059 11.851 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.639 -2.037 12.318 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.484 -3.783 10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.537 -3.164 11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.044 -2.060 10.437 1.00 0.00 H new ATOM 166 N ARG A 18 -4.317 0.419 10.127 1.00 0.00 N ATOM 167 CA ARG A 18 -5.140 1.361 10.848 1.00 0.00 C ATOM 168 C ARG A 18 -6.193 0.656 11.633 1.00 0.00 C ATOM 169 O ARG A 18 -6.998 -0.075 11.084 1.00 0.00 O ATOM 170 CB ARG A 18 -5.790 2.383 9.922 1.00 0.00 C ATOM 171 CG ARG A 18 -4.949 3.613 9.610 1.00 0.00 C ATOM 172 CD ARG A 18 -3.616 3.313 8.921 1.00 0.00 C ATOM 173 NE ARG A 18 -3.722 2.644 7.602 1.00 0.00 N ATOM 174 CZ ARG A 18 -4.107 3.248 6.456 1.00 0.00 C ATOM 175 NH1 ARG A 18 -4.921 4.298 6.479 1.00 0.00 N ATOM 176 NH2 ARG A 18 -3.762 2.735 5.294 1.00 0.00 N ATOM 0 H ARG A 18 -4.701 0.132 9.227 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.479 1.896 11.530 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.042 1.889 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.728 2.710 10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.529 4.282 8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.751 4.147 10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.073 4.249 8.793 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.017 2.686 9.581 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.486 1.653 7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.264 4.658 7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.203 4.744 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.204 1.882 5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.052 3.191 4.429 1.00 0.00 H new ATOM 190 N ARG A 19 -6.189 0.875 12.899 1.00 0.00 N ATOM 191 CA ARG A 19 -7.141 0.267 13.752 1.00 0.00 C ATOM 192 C ARG A 19 -7.840 1.309 14.626 1.00 0.00 C ATOM 193 O ARG A 19 -7.250 1.816 15.540 1.00 0.00 O ATOM 194 CB ARG A 19 -6.447 -0.772 14.605 1.00 0.00 C ATOM 195 CG ARG A 19 -7.362 -1.461 15.557 1.00 0.00 C ATOM 196 CD ARG A 19 -6.675 -2.593 16.248 1.00 0.00 C ATOM 197 NE ARG A 19 -7.631 -3.375 16.978 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.371 -4.237 17.926 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.167 -4.312 18.431 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.350 -5.012 18.395 1.00 0.00 N ATOM 0 H ARG A 19 -5.522 1.484 13.373 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.908 -0.216 13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.984 -1.515 13.955 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.644 -0.294 15.166 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.725 -0.747 16.297 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.234 -1.835 15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.163 -3.219 15.517 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.914 -2.208 16.927 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.613 -3.245 16.733 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.430 -3.698 18.085 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.965 -4.985 19.171 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.293 -4.929 18.014 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.156 -5.687 19.134 1.00 0.00 H new ATOM 214 N PRO A 20 -9.096 1.657 14.339 1.00 0.00 N ATOM 215 CA PRO A 20 -9.852 2.651 15.133 1.00 0.00 C ATOM 216 C PRO A 20 -9.859 2.349 16.643 1.00 0.00 C ATOM 217 O PRO A 20 -9.572 3.231 17.474 1.00 0.00 O ATOM 218 CB PRO A 20 -11.259 2.538 14.568 1.00 0.00 C ATOM 219 CG PRO A 20 -11.051 2.104 13.163 1.00 0.00 C ATOM 220 CD PRO A 20 -9.881 1.165 13.191 1.00 0.00 C ATOM 0 HA PRO A 20 -9.410 3.644 15.057 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.855 1.815 15.125 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.786 3.491 14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.940 1.609 12.772 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.851 2.958 12.516 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.196 0.131 13.329 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.309 1.203 12.264 1.00 0.00 H new ATOM 228 N ASP A 21 -10.155 1.111 16.986 1.00 0.00 N ATOM 229 CA ASP A 21 -10.226 0.666 18.366 1.00 0.00 C ATOM 230 C ASP A 21 -10.290 -0.847 18.390 1.00 0.00 C ATOM 231 O ASP A 21 -10.171 -1.490 17.345 1.00 0.00 O ATOM 232 CB ASP A 21 -11.439 1.260 19.112 1.00 0.00 C ATOM 233 CG ASP A 21 -12.762 0.754 18.605 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.310 1.344 17.659 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.280 -0.228 19.168 1.00 0.00 O ATOM 0 H ASP A 21 -10.355 0.376 16.307 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.333 1.018 18.883 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.352 1.027 20.173 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.415 2.346 19.021 1.00 0.00 H new ATOM 240 N LEU A 22 -10.515 -1.403 19.560 1.00 0.00 N ATOM 241 CA LEU A 22 -10.475 -2.840 19.783 1.00 0.00 C ATOM 242 C LEU A 22 -11.618 -3.601 19.143 1.00 0.00 C ATOM 243 O LEU A 22 -11.499 -4.797 18.894 1.00 0.00 O ATOM 244 CB LEU A 22 -10.372 -3.142 21.261 1.00 0.00 C ATOM 245 CG LEU A 22 -9.146 -2.542 21.940 1.00 0.00 C ATOM 246 CD1 LEU A 22 -9.036 -3.039 23.345 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.890 -2.852 21.142 1.00 0.00 C ATOM 0 H LEU A 22 -10.735 -0.866 20.399 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.578 -3.199 19.278 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.267 -2.770 21.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.357 -4.223 21.399 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.258 -1.458 21.975 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.156 -2.602 23.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.927 -2.753 23.903 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.944 -4.125 23.341 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.025 -2.416 21.641 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.762 -3.932 21.071 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.982 -2.431 20.141 1.00 0.00 H new ATOM 259 N ARG A 23 -12.708 -2.912 18.857 1.00 0.00 N ATOM 260 CA ARG A 23 -13.851 -3.526 18.183 1.00 0.00 C ATOM 261 C ARG A 23 -13.539 -3.790 16.722 1.00 0.00 C ATOM 262 O ARG A 23 -14.267 -4.509 16.030 1.00 0.00 O ATOM 263 CB ARG A 23 -15.119 -2.679 18.311 1.00 0.00 C ATOM 264 CG ARG A 23 -15.839 -2.782 19.650 1.00 0.00 C ATOM 265 CD ARG A 23 -15.013 -2.315 20.833 1.00 0.00 C ATOM 266 NE ARG A 23 -15.755 -2.459 22.082 1.00 0.00 N ATOM 267 CZ ARG A 23 -15.218 -2.621 23.294 1.00 0.00 C ATOM 268 NH1 ARG A 23 -13.890 -2.710 23.439 1.00 0.00 N ATOM 269 NH2 ARG A 23 -16.010 -2.693 24.351 1.00 0.00 N ATOM 0 H ARG A 23 -12.831 -1.924 19.079 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.040 -4.477 18.681 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.858 -1.635 18.137 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.812 -2.970 17.521 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.755 -2.193 19.604 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.135 -3.818 19.813 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.090 -2.892 20.886 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.729 -1.272 20.693 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.773 -2.434 22.024 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.283 -2.654 22.621 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.485 -2.834 24.367 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.021 -2.625 24.236 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.609 -2.817 25.281 1.00 0.00 H new ATOM 283 N TYR A 24 -12.472 -3.212 16.262 1.00 0.00 N ATOM 284 CA TYR A 24 -11.991 -3.445 14.933 1.00 0.00 C ATOM 285 C TYR A 24 -10.822 -4.349 15.068 1.00 0.00 C ATOM 286 O TYR A 24 -9.905 -4.027 15.801 1.00 0.00 O ATOM 287 CB TYR A 24 -11.541 -2.140 14.271 1.00 0.00 C ATOM 288 CG TYR A 24 -12.650 -1.217 13.822 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.412 -0.488 14.729 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.920 -1.065 12.472 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.409 0.364 14.293 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.903 -0.216 12.031 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.648 0.495 12.941 1.00 0.00 C ATOM 294 OH TYR A 24 -15.631 1.350 12.493 1.00 0.00 O ATOM 0 H TYR A 24 -11.905 -2.559 16.803 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.779 -3.874 14.314 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.904 -1.599 14.971 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.926 -2.386 13.406 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.222 -0.589 15.787 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.344 -1.627 11.751 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.997 0.923 15.006 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.091 -0.107 10.973 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.667 1.323 11.514 1.00 0.00 H new ATOM 304 N GLN A 25 -10.849 -5.485 14.449 1.00 0.00 N ATOM 305 CA GLN A 25 -9.727 -6.364 14.562 1.00 0.00 C ATOM 306 C GLN A 25 -8.857 -6.377 13.359 1.00 0.00 C ATOM 307 O GLN A 25 -9.296 -6.048 12.265 1.00 0.00 O ATOM 308 CB GLN A 25 -10.064 -7.755 15.059 1.00 0.00 C ATOM 309 CG GLN A 25 -10.265 -7.792 16.555 1.00 0.00 C ATOM 310 CD GLN A 25 -10.375 -9.187 17.100 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.881 -10.097 16.441 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.851 -9.376 18.270 1.00 0.00 N ATOM 0 H GLN A 25 -11.618 -5.823 13.871 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.129 -5.921 15.359 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.969 -8.107 14.564 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.263 -8.441 14.784 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.432 -7.283 17.040 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.168 -7.237 16.808 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.443 -8.592 18.779 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.846 -10.309 18.682 1.00 0.00 H new ATOM 321 N LEU A 26 -7.626 -6.784 13.607 1.00 0.00 N ATOM 322 CA LEU A 26 -6.508 -6.796 12.673 1.00 0.00 C ATOM 323 C LEU A 26 -6.918 -7.344 11.309 1.00 0.00 C ATOM 324 O LEU A 26 -6.805 -6.659 10.292 1.00 0.00 O ATOM 325 CB LEU A 26 -5.338 -7.651 13.250 1.00 0.00 C ATOM 326 CG LEU A 26 -4.763 -7.314 14.671 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.420 -5.843 14.825 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.656 -7.812 15.830 1.00 0.00 C ATOM 0 H LEU A 26 -7.360 -7.139 14.526 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.180 -5.765 12.539 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.671 -8.689 13.270 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.512 -7.595 12.541 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.831 -7.875 14.741 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.027 -5.664 15.826 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.670 -5.565 14.085 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.317 -5.243 14.675 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.198 -7.545 16.783 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.639 -7.347 15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.761 -8.895 15.769 1.00 0.00 H new ATOM 340 N GLY A 27 -7.407 -8.556 11.291 1.00 0.00 N ATOM 341 CA GLY A 27 -7.836 -9.131 10.057 1.00 0.00 C ATOM 342 C GLY A 27 -6.780 -10.004 9.438 1.00 0.00 C ATOM 343 O GLY A 27 -6.664 -10.068 8.221 1.00 0.00 O ATOM 0 H GLY A 27 -7.515 -9.154 12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.738 -9.720 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.101 -8.336 9.361 1.00 0.00 H new ATOM 347 N PHE A 28 -5.990 -10.646 10.261 1.00 0.00 N ATOM 348 CA PHE A 28 -5.005 -11.591 9.790 1.00 0.00 C ATOM 349 C PHE A 28 -4.639 -12.501 10.927 1.00 0.00 C ATOM 350 O PHE A 28 -4.902 -12.175 12.095 1.00 0.00 O ATOM 351 CB PHE A 28 -3.735 -10.912 9.186 1.00 0.00 C ATOM 352 CG PHE A 28 -2.775 -10.259 10.166 1.00 0.00 C ATOM 353 CD1 PHE A 28 -3.063 -9.044 10.758 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.559 -10.864 10.455 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.161 -8.442 11.617 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.661 -10.272 11.314 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.963 -9.059 11.897 1.00 0.00 C ATOM 0 H PHE A 28 -6.010 -10.530 11.274 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.446 -12.159 8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.184 -11.664 8.621 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.061 -10.154 8.474 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.004 -8.558 10.547 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.314 -11.812 9.999 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.397 -7.489 12.067 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.279 -10.757 11.531 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.260 -8.594 12.572 1.00 0.00 H new ATOM 367 N SER A 29 -4.068 -13.616 10.608 1.00 0.00 N ATOM 368 CA SER A 29 -3.669 -14.561 11.583 1.00 0.00 C ATOM 369 C SER A 29 -2.173 -14.761 11.472 1.00 0.00 C ATOM 370 O SER A 29 -1.641 -15.095 10.381 1.00 0.00 O ATOM 371 CB SER A 29 -4.406 -15.874 11.368 1.00 0.00 C ATOM 372 OG SER A 29 -4.138 -16.795 12.415 1.00 0.00 O ATOM 0 H SER A 29 -3.865 -13.894 9.648 1.00 0.00 H new ATOM 0 HA SER A 29 -3.914 -14.199 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.478 -15.686 11.312 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.108 -16.308 10.414 1.00 0.00 H new ATOM 0 HG SER A 29 -4.626 -17.629 12.250 1.00 0.00 H new ATOM 378 N VAL A 30 -1.492 -14.550 12.561 1.00 0.00 N ATOM 379 CA VAL A 30 -0.084 -14.671 12.575 1.00 0.00 C ATOM 380 C VAL A 30 0.293 -15.793 13.550 1.00 0.00 C ATOM 381 O VAL A 30 -0.280 -15.909 14.642 1.00 0.00 O ATOM 382 CB VAL A 30 0.592 -13.305 12.976 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.830 -13.147 14.467 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.850 -13.061 12.209 1.00 0.00 C ATOM 0 H VAL A 30 -1.906 -14.290 13.456 1.00 0.00 H new ATOM 0 HA VAL A 30 0.280 -14.921 11.578 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.135 -12.541 12.703 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.298 -12.182 14.660 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.122 -13.201 14.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.485 -13.944 14.817 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.284 -12.109 12.515 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.559 -13.864 12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.626 -13.031 11.143 1.00 0.00 H new ATOM 394 N GLN A 31 1.183 -16.637 13.153 1.00 0.00 N ATOM 395 CA GLN A 31 1.648 -17.656 14.030 1.00 0.00 C ATOM 396 C GLN A 31 3.127 -17.528 14.217 1.00 0.00 C ATOM 397 O GLN A 31 3.900 -17.616 13.261 1.00 0.00 O ATOM 398 CB GLN A 31 1.218 -19.076 13.612 1.00 0.00 C ATOM 399 CG GLN A 31 1.599 -19.505 12.206 1.00 0.00 C ATOM 400 CD GLN A 31 1.202 -20.940 11.946 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.093 -21.218 11.502 1.00 0.00 O ATOM 402 NE2 GLN A 31 2.089 -21.859 12.230 1.00 0.00 N ATOM 0 H GLN A 31 1.604 -16.641 12.224 1.00 0.00 H new ATOM 0 HA GLN A 31 1.164 -17.505 14.995 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.651 -19.786 14.316 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.135 -19.149 13.711 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.113 -18.853 11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.674 -19.391 12.067 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.002 -21.591 12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.868 -22.844 12.083 1.00 0.00 H new ATOM 411 N ASN A 32 3.502 -17.172 15.445 1.00 0.00 N ATOM 412 CA ASN A 32 4.915 -17.041 15.877 1.00 0.00 C ATOM 413 C ASN A 32 5.579 -15.849 15.210 1.00 0.00 C ATOM 414 O ASN A 32 6.798 -15.676 15.279 1.00 0.00 O ATOM 415 CB ASN A 32 5.723 -18.330 15.604 1.00 0.00 C ATOM 416 CG ASN A 32 5.217 -19.553 16.358 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.030 -19.656 16.696 1.00 0.00 O ATOM 418 ND2 ASN A 32 6.088 -20.491 16.599 1.00 0.00 N ATOM 0 H ASN A 32 2.833 -16.961 16.186 1.00 0.00 H new ATOM 0 HA ASN A 32 4.906 -16.878 16.955 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.700 -18.541 14.535 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.765 -18.156 15.873 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.800 -21.343 17.080 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.058 -20.373 16.307 1.00 0.00 H new ATOM 425 N GLY A 33 4.764 -15.017 14.595 1.00 0.00 N ATOM 426 CA GLY A 33 5.256 -13.853 13.918 1.00 0.00 C ATOM 427 C GLY A 33 5.141 -13.976 12.428 1.00 0.00 C ATOM 428 O GLY A 33 5.393 -13.036 11.716 1.00 0.00 O ATOM 0 H GLY A 33 3.752 -15.134 14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.700 -12.977 14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.299 -13.691 14.188 1.00 0.00 H new ATOM 432 N ILE A 34 4.720 -15.118 11.949 1.00 0.00 N ATOM 433 CA ILE A 34 4.614 -15.315 10.513 1.00 0.00 C ATOM 434 C ILE A 34 3.149 -15.368 10.112 1.00 0.00 C ATOM 435 O ILE A 34 2.358 -16.114 10.708 1.00 0.00 O ATOM 436 CB ILE A 34 5.372 -16.581 9.954 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.894 -16.564 10.262 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.197 -16.640 8.445 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.289 -16.793 11.706 1.00 0.00 C ATOM 0 H ILE A 34 4.447 -15.920 12.517 1.00 0.00 H new ATOM 0 HA ILE A 34 5.115 -14.459 10.062 1.00 0.00 H new ATOM 0 HB ILE A 34 4.940 -17.451 10.448 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.375 -17.327 9.650 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.296 -15.602 9.946 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.719 -17.513 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.136 -16.712 8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.610 -15.737 7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.375 -16.759 11.796 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.848 -16.017 12.331 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.929 -17.769 12.031 1.00 0.00 H new ATOM 451 N ILE A 35 2.792 -14.540 9.161 1.00 0.00 N ATOM 452 CA ILE A 35 1.433 -14.426 8.677 1.00 0.00 C ATOM 453 C ILE A 35 1.067 -15.660 7.881 1.00 0.00 C ATOM 454 O ILE A 35 1.650 -15.919 6.818 1.00 0.00 O ATOM 455 CB ILE A 35 1.295 -13.188 7.785 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.740 -11.958 8.570 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.164 -13.032 7.318 1.00 0.00 C ATOM 458 CD1 ILE A 35 2.006 -10.770 7.710 1.00 0.00 C ATOM 0 H ILE A 35 3.447 -13.915 8.692 1.00 0.00 H new ATOM 0 HA ILE A 35 0.763 -14.331 9.531 1.00 0.00 H new ATOM 0 HB ILE A 35 1.924 -13.299 6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.971 -11.704 9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.643 -12.201 9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.251 -12.149 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.461 -13.915 6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.814 -12.921 8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.318 -9.932 8.333 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.796 -11.006 6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.098 -10.502 7.169 1.00 0.00 H new ATOM 470 N CYS A 36 0.121 -16.405 8.385 1.00 0.00 N ATOM 471 CA CYS A 36 -0.274 -17.638 7.760 1.00 0.00 C ATOM 472 C CYS A 36 -1.567 -17.439 6.962 1.00 0.00 C ATOM 473 O CYS A 36 -1.803 -18.112 5.945 1.00 0.00 O ATOM 474 CB CYS A 36 -0.443 -18.721 8.830 1.00 0.00 C ATOM 475 SG CYS A 36 -0.645 -20.390 8.191 1.00 0.00 S ATOM 0 H CYS A 36 -0.395 -16.177 9.235 1.00 0.00 H new ATOM 0 HA CYS A 36 0.500 -17.958 7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.427 -18.702 9.487 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.310 -18.474 9.442 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.777 -21.221 9.182 1.00 0.00 H new ATOM 481 N SER A 37 -2.385 -16.508 7.399 1.00 0.00 N ATOM 482 CA SER A 37 -3.630 -16.220 6.737 1.00 0.00 C ATOM 483 C SER A 37 -4.029 -14.753 6.918 1.00 0.00 C ATOM 484 O SER A 37 -3.651 -14.116 7.912 1.00 0.00 O ATOM 485 CB SER A 37 -4.718 -17.202 7.206 1.00 0.00 C ATOM 486 OG SER A 37 -4.591 -17.487 8.595 1.00 0.00 O ATOM 0 H SER A 37 -2.204 -15.933 8.221 1.00 0.00 H new ATOM 0 HA SER A 37 -3.505 -16.366 5.664 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.703 -16.779 7.008 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.647 -18.127 6.634 1.00 0.00 H new ATOM 0 HG SER A 37 -5.296 -18.112 8.867 1.00 0.00 H new ATOM 492 N LEU A 38 -4.737 -14.222 5.949 1.00 0.00 N ATOM 493 CA LEU A 38 -5.169 -12.847 5.942 1.00 0.00 C ATOM 494 C LEU A 38 -6.665 -12.816 5.693 1.00 0.00 C ATOM 495 O LEU A 38 -7.229 -13.775 5.146 1.00 0.00 O ATOM 496 CB LEU A 38 -4.421 -12.075 4.821 1.00 0.00 C ATOM 497 CG LEU A 38 -4.802 -10.592 4.595 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.525 -9.757 5.819 1.00 0.00 C ATOM 499 CD2 LEU A 38 -4.056 -10.023 3.420 1.00 0.00 C ATOM 0 H LEU A 38 -5.034 -14.747 5.126 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.947 -12.373 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.354 -12.118 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.578 -12.609 3.884 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.872 -10.562 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.804 -8.722 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.107 -10.138 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.463 -9.807 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.339 -8.980 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.984 -10.086 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.304 -10.590 2.523 1.00 0.00 H new ATOM 511 N MET A 39 -7.309 -11.771 6.139 1.00 0.00 N ATOM 512 CA MET A 39 -8.705 -11.576 5.890 1.00 0.00 C ATOM 513 C MET A 39 -8.885 -10.566 4.779 1.00 0.00 C ATOM 514 O MET A 39 -8.413 -9.418 4.877 1.00 0.00 O ATOM 515 CB MET A 39 -9.433 -11.095 7.142 1.00 0.00 C ATOM 516 CG MET A 39 -10.896 -10.770 6.909 1.00 0.00 C ATOM 517 SD MET A 39 -11.697 -10.110 8.371 1.00 0.00 S ATOM 518 CE MET A 39 -13.322 -9.777 7.711 1.00 0.00 C ATOM 0 H MET A 39 -6.874 -11.029 6.688 1.00 0.00 H new ATOM 0 HA MET A 39 -9.134 -12.534 5.596 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.359 -11.863 7.912 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.929 -10.208 7.526 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.979 -10.048 6.097 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.418 -11.672 6.589 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.954 -9.359 8.494 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.242 -9.064 6.890 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.763 -10.704 7.345 1.00 0.00 H new ATOM 528 N ARG A 40 -9.548 -10.988 3.739 1.00 0.00 N ATOM 529 CA ARG A 40 -9.846 -10.137 2.625 1.00 0.00 C ATOM 530 C ARG A 40 -10.865 -9.099 3.082 1.00 0.00 C ATOM 531 O ARG A 40 -11.883 -9.444 3.698 1.00 0.00 O ATOM 532 CB ARG A 40 -10.354 -10.990 1.430 1.00 0.00 C ATOM 533 CG ARG A 40 -10.637 -10.222 0.128 1.00 0.00 C ATOM 534 CD ARG A 40 -11.969 -9.490 0.159 1.00 0.00 C ATOM 535 NE ARG A 40 -12.099 -8.535 -0.931 1.00 0.00 N ATOM 536 CZ ARG A 40 -13.243 -8.178 -1.516 1.00 0.00 C ATOM 537 NH1 ARG A 40 -14.373 -8.839 -1.276 1.00 0.00 N ATOM 538 NH2 ARG A 40 -13.245 -7.192 -2.387 1.00 0.00 N ATOM 0 H ARG A 40 -9.899 -11.941 3.641 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.955 -9.614 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.614 -11.762 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.268 -11.499 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.836 -9.504 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.629 -10.919 -0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.781 -10.215 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.073 -8.968 1.111 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.243 -8.102 -1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.373 -9.633 -0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.239 -8.552 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.376 -6.707 -2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.116 -6.913 -2.839 1.00 0.00 H new ATOM 552 N GLY A 41 -10.572 -7.847 2.826 1.00 0.00 N ATOM 553 CA GLY A 41 -11.441 -6.770 3.245 1.00 0.00 C ATOM 554 C GLY A 41 -11.119 -6.313 4.652 1.00 0.00 C ATOM 555 O GLY A 41 -11.705 -5.359 5.155 1.00 0.00 O ATOM 0 H GLY A 41 -9.735 -7.546 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.340 -5.931 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.479 -7.099 3.197 1.00 0.00 H new ATOM 559 N GLY A 42 -10.182 -6.995 5.285 1.00 0.00 N ATOM 560 CA GLY A 42 -9.800 -6.653 6.623 1.00 0.00 C ATOM 561 C GLY A 42 -8.812 -5.521 6.627 1.00 0.00 C ATOM 562 O GLY A 42 -8.178 -5.241 5.598 1.00 0.00 O ATOM 0 H GLY A 42 -9.678 -7.787 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.683 -6.372 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.364 -7.523 7.114 1.00 0.00 H new ATOM 566 N ILE A 43 -8.656 -4.870 7.760 1.00 0.00 N ATOM 567 CA ILE A 43 -7.726 -3.752 7.881 1.00 0.00 C ATOM 568 C ILE A 43 -6.292 -4.133 7.600 1.00 0.00 C ATOM 569 O ILE A 43 -5.523 -3.312 7.114 1.00 0.00 O ATOM 570 CB ILE A 43 -7.854 -2.916 9.179 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.351 -3.754 10.368 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.699 -1.681 8.948 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.456 -2.987 11.677 1.00 0.00 C ATOM 0 H ILE A 43 -9.161 -5.092 8.618 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.048 -3.081 7.084 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.854 -2.579 9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.330 -4.166 10.123 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.676 -4.598 10.509 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.773 -1.112 9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.237 -1.063 8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.697 -1.978 8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.814 -3.654 12.462 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.475 -2.598 11.951 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.154 -2.159 11.558 1.00 0.00 H new ATOM 585 N ALA A 44 -5.942 -5.367 7.887 1.00 0.00 N ATOM 586 CA ALA A 44 -4.626 -5.881 7.614 1.00 0.00 C ATOM 587 C ALA A 44 -4.344 -5.899 6.113 1.00 0.00 C ATOM 588 O ALA A 44 -3.245 -5.533 5.679 1.00 0.00 O ATOM 589 CB ALA A 44 -4.492 -7.253 8.202 1.00 0.00 C ATOM 0 H ALA A 44 -6.570 -6.044 8.320 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.888 -5.224 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.495 -7.642 7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.645 -7.203 9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.238 -7.913 7.759 1.00 0.00 H new ATOM 595 N GLU A 45 -5.343 -6.289 5.326 1.00 0.00 N ATOM 596 CA GLU A 45 -5.229 -6.306 3.869 1.00 0.00 C ATOM 597 C GLU A 45 -4.905 -4.909 3.384 1.00 0.00 C ATOM 598 O GLU A 45 -3.953 -4.701 2.625 1.00 0.00 O ATOM 599 CB GLU A 45 -6.544 -6.781 3.242 1.00 0.00 C ATOM 600 CG GLU A 45 -6.563 -6.728 1.724 1.00 0.00 C ATOM 601 CD GLU A 45 -7.890 -7.128 1.157 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.781 -6.268 1.009 1.00 0.00 O ATOM 603 OE2 GLU A 45 -8.074 -8.307 0.852 1.00 0.00 O ATOM 0 H GLU A 45 -6.249 -6.600 5.676 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.435 -6.993 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.737 -7.805 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.359 -6.168 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.320 -5.718 1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.789 -7.387 1.330 1.00 0.00 H new ATOM 610 N ARG A 46 -5.672 -3.962 3.906 1.00 0.00 N ATOM 611 CA ARG A 46 -5.547 -2.543 3.587 1.00 0.00 C ATOM 612 C ARG A 46 -4.172 -2.043 4.041 1.00 0.00 C ATOM 613 O ARG A 46 -3.516 -1.262 3.362 1.00 0.00 O ATOM 614 CB ARG A 46 -6.621 -1.746 4.347 1.00 0.00 C ATOM 615 CG ARG A 46 -8.016 -2.360 4.323 1.00 0.00 C ATOM 616 CD ARG A 46 -8.996 -1.526 5.133 1.00 0.00 C ATOM 617 NE ARG A 46 -10.214 -2.274 5.490 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.472 -1.855 5.295 1.00 0.00 C ATOM 619 NH1 ARG A 46 -11.719 -0.772 4.570 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.481 -2.546 5.806 1.00 0.00 N ATOM 0 H ARG A 46 -6.414 -4.161 4.577 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.668 -2.407 2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.306 -1.638 5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.675 -0.743 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.365 -2.438 3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.978 -3.373 4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.507 -1.179 6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.272 -0.640 4.562 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.089 -3.189 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.948 -0.249 4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.680 -0.462 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.298 -3.393 6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.440 -2.231 5.660 1.00 0.00 H new ATOM 634 N GLY A 47 -3.757 -2.528 5.203 1.00 0.00 N ATOM 635 CA GLY A 47 -2.504 -2.151 5.821 1.00 0.00 C ATOM 636 C GLY A 47 -1.286 -2.564 5.018 1.00 0.00 C ATOM 637 O GLY A 47 -0.242 -1.882 5.058 1.00 0.00 O ATOM 0 H GLY A 47 -4.293 -3.204 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.488 -1.070 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.446 -2.602 6.812 1.00 0.00 H new ATOM 641 N GLY A 48 -1.401 -3.658 4.296 1.00 0.00 N ATOM 642 CA GLY A 48 -0.290 -4.122 3.508 1.00 0.00 C ATOM 643 C GLY A 48 0.210 -5.456 3.992 1.00 0.00 C ATOM 644 O GLY A 48 1.259 -5.936 3.559 1.00 0.00 O ATOM 0 H GLY A 48 -2.242 -4.233 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.592 -4.202 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.518 -3.392 3.551 1.00 0.00 H new ATOM 648 N VAL A 49 -0.544 -6.057 4.882 1.00 0.00 N ATOM 649 CA VAL A 49 -0.223 -7.345 5.434 1.00 0.00 C ATOM 650 C VAL A 49 -0.449 -8.403 4.355 1.00 0.00 C ATOM 651 O VAL A 49 -1.440 -8.334 3.629 1.00 0.00 O ATOM 652 CB VAL A 49 -1.137 -7.627 6.658 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.939 -9.012 7.223 1.00 0.00 C ATOM 654 CG2 VAL A 49 -0.933 -6.588 7.746 1.00 0.00 C ATOM 0 H VAL A 49 -1.409 -5.657 5.246 1.00 0.00 H new ATOM 0 HA VAL A 49 0.816 -7.369 5.761 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.163 -7.565 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.602 -9.155 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.167 -9.753 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.096 -9.129 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.586 -6.812 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.106 -6.606 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.172 -5.599 7.354 1.00 0.00 H new ATOM 664 N ARG A 50 0.496 -9.318 4.214 1.00 0.00 N ATOM 665 CA ARG A 50 0.425 -10.415 3.249 1.00 0.00 C ATOM 666 C ARG A 50 1.030 -11.647 3.842 1.00 0.00 C ATOM 667 O ARG A 50 1.995 -11.581 4.611 1.00 0.00 O ATOM 668 CB ARG A 50 1.092 -10.062 1.895 1.00 0.00 C ATOM 669 CG ARG A 50 0.301 -9.069 1.052 1.00 0.00 C ATOM 670 CD ARG A 50 -1.020 -9.672 0.580 1.00 0.00 C ATOM 671 NE ARG A 50 -1.925 -8.677 -0.020 1.00 0.00 N ATOM 672 CZ ARG A 50 -2.796 -8.933 -1.007 1.00 0.00 C ATOM 673 NH1 ARG A 50 -2.726 -10.063 -1.681 1.00 0.00 N ATOM 674 NH2 ARG A 50 -3.702 -8.030 -1.346 1.00 0.00 N ATOM 0 H ARG A 50 1.349 -9.324 4.773 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.627 -10.598 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.083 -9.651 2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.232 -10.978 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.105 -8.169 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.895 -8.767 0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.815 -10.455 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.519 -10.146 1.425 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.886 -7.724 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.006 -10.749 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.391 -10.252 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.739 -7.136 -0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.363 -8.228 -2.097 1.00 0.00 H new ATOM 688 N VAL A 51 0.471 -12.740 3.466 1.00 0.00 N ATOM 689 CA VAL A 51 0.806 -14.043 3.956 1.00 0.00 C ATOM 690 C VAL A 51 2.209 -14.452 3.517 1.00 0.00 C ATOM 691 O VAL A 51 2.668 -14.089 2.426 1.00 0.00 O ATOM 692 CB VAL A 51 -0.256 -15.039 3.448 1.00 0.00 C ATOM 693 CG1 VAL A 51 0.111 -16.485 3.732 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.602 -14.723 4.068 1.00 0.00 C ATOM 0 H VAL A 51 -0.274 -12.758 2.770 1.00 0.00 H new ATOM 0 HA VAL A 51 0.810 -14.039 5.046 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.305 -14.925 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.673 -17.141 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.054 -16.724 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.215 -16.629 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.346 -15.431 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.530 -14.799 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.900 -13.711 3.794 1.00 0.00 H new ATOM 704 N GLY A 52 2.903 -15.165 4.386 1.00 0.00 N ATOM 705 CA GLY A 52 4.237 -15.609 4.080 1.00 0.00 C ATOM 706 C GLY A 52 5.258 -14.553 4.408 1.00 0.00 C ATOM 707 O GLY A 52 6.382 -14.560 3.895 1.00 0.00 O ATOM 0 H GLY A 52 2.560 -15.445 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.457 -16.517 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.303 -15.865 3.022 1.00 0.00 H new ATOM 711 N HIS A 53 4.852 -13.618 5.215 1.00 0.00 N ATOM 712 CA HIS A 53 5.716 -12.580 5.680 1.00 0.00 C ATOM 713 C HIS A 53 5.773 -12.652 7.186 1.00 0.00 C ATOM 714 O HIS A 53 4.811 -13.081 7.826 1.00 0.00 O ATOM 715 CB HIS A 53 5.256 -11.171 5.219 1.00 0.00 C ATOM 716 CG HIS A 53 5.365 -10.899 3.732 1.00 0.00 C ATOM 717 ND1 HIS A 53 6.308 -10.049 3.175 1.00 0.00 N ATOM 718 CD2 HIS A 53 4.613 -11.334 2.690 1.00 0.00 C ATOM 719 CE1 HIS A 53 6.124 -9.982 1.875 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.109 -10.747 1.556 1.00 0.00 N ATOM 0 H HIS A 53 3.899 -13.556 5.572 1.00 0.00 H new ATOM 0 HA HIS A 53 6.706 -12.733 5.250 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.218 -11.031 5.520 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.846 -10.424 5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.778 -12.017 2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.711 -9.394 1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.746 -10.884 0.613 1.00 0.00 H new ATOM 729 N ARG A 54 6.892 -12.279 7.741 1.00 0.00 N ATOM 730 CA ARG A 54 7.065 -12.292 9.168 1.00 0.00 C ATOM 731 C ARG A 54 7.042 -10.899 9.712 1.00 0.00 C ATOM 732 O ARG A 54 7.706 -10.014 9.179 1.00 0.00 O ATOM 733 CB ARG A 54 8.360 -12.995 9.613 1.00 0.00 C ATOM 734 CG ARG A 54 8.580 -12.886 11.121 1.00 0.00 C ATOM 735 CD ARG A 54 9.597 -13.855 11.658 1.00 0.00 C ATOM 736 NE ARG A 54 10.960 -13.612 11.210 1.00 0.00 N ATOM 737 CZ ARG A 54 12.015 -14.271 11.703 1.00 0.00 C ATOM 738 NH1 ARG A 54 11.851 -15.105 12.734 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.219 -14.045 11.209 1.00 0.00 N ATOM 0 H ARG A 54 7.708 -11.958 7.220 1.00 0.00 H new ATOM 0 HA ARG A 54 6.229 -12.865 9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.319 -14.046 9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.209 -12.556 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.898 -11.871 11.360 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.630 -13.051 11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.574 -13.819 12.747 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.307 -14.865 11.367 1.00 0.00 H new ATOM 0 HE ARG A 54 11.118 -12.908 10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.925 -15.237 13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.652 -15.610 13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.342 -13.370 10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.026 -14.545 11.582 1.00 0.00 H new ATOM 753 N ILE A 55 6.285 -10.723 10.747 1.00 0.00 N ATOM 754 CA ILE A 55 6.210 -9.477 11.458 1.00 0.00 C ATOM 755 C ILE A 55 7.483 -9.351 12.295 1.00 0.00 C ATOM 756 O ILE A 55 7.725 -10.171 13.191 1.00 0.00 O ATOM 757 CB ILE A 55 5.025 -9.455 12.455 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.708 -9.947 11.829 1.00 0.00 C ATOM 759 CG2 ILE A 55 4.845 -8.051 12.988 1.00 0.00 C ATOM 760 CD1 ILE A 55 3.146 -9.070 10.753 1.00 0.00 C ATOM 0 H ILE A 55 5.687 -11.454 11.134 1.00 0.00 H new ATOM 0 HA ILE A 55 6.085 -8.674 10.732 1.00 0.00 H new ATOM 0 HB ILE A 55 5.268 -10.144 13.264 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.870 -10.943 11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.964 -10.047 12.619 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.011 -8.032 13.690 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.756 -7.736 13.497 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.638 -7.372 12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.219 -9.504 10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.944 -8.079 11.160 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.865 -8.988 9.938 1.00 0.00 H new ATOM 772 N ILE A 56 8.307 -8.389 11.987 1.00 0.00 N ATOM 773 CA ILE A 56 9.504 -8.190 12.730 1.00 0.00 C ATOM 774 C ILE A 56 9.378 -7.053 13.726 1.00 0.00 C ATOM 775 O ILE A 56 10.169 -6.942 14.660 1.00 0.00 O ATOM 776 CB ILE A 56 10.760 -8.020 11.851 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.746 -6.707 11.115 1.00 0.00 C ATOM 778 CG2 ILE A 56 10.857 -9.177 10.848 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.043 -6.410 10.462 1.00 0.00 C ATOM 0 H ILE A 56 8.164 -7.731 11.221 1.00 0.00 H new ATOM 0 HA ILE A 56 9.645 -9.115 13.289 1.00 0.00 H new ATOM 0 HB ILE A 56 11.631 -8.029 12.507 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.959 -6.725 10.361 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.502 -5.906 11.812 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.746 -9.050 10.231 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.922 -10.122 11.388 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.972 -9.182 10.212 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.979 -5.452 9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.828 -6.364 11.217 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.277 -7.195 9.743 1.00 0.00 H new ATOM 791 N GLU A 57 8.358 -6.239 13.559 1.00 0.00 N ATOM 792 CA GLU A 57 8.148 -5.097 14.430 1.00 0.00 C ATOM 793 C GLU A 57 6.701 -4.721 14.398 1.00 0.00 C ATOM 794 O GLU A 57 6.055 -4.904 13.376 1.00 0.00 O ATOM 795 CB GLU A 57 9.019 -3.922 13.972 1.00 0.00 C ATOM 796 CG GLU A 57 8.906 -2.665 14.806 1.00 0.00 C ATOM 797 CD GLU A 57 9.730 -1.547 14.244 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.919 -1.433 14.588 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.211 -0.763 13.442 1.00 0.00 O ATOM 0 H GLU A 57 7.657 -6.346 12.826 1.00 0.00 H new ATOM 0 HA GLU A 57 8.431 -5.354 15.451 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.061 -4.243 13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.758 -3.679 12.942 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.862 -2.356 14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.227 -2.876 15.826 1.00 0.00 H new ATOM 806 N ILE A 58 6.200 -4.251 15.519 1.00 0.00 N ATOM 807 CA ILE A 58 4.834 -3.804 15.668 1.00 0.00 C ATOM 808 C ILE A 58 4.825 -2.572 16.541 1.00 0.00 C ATOM 809 O ILE A 58 5.360 -2.602 17.641 1.00 0.00 O ATOM 810 CB ILE A 58 3.960 -4.855 16.381 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.877 -6.139 15.588 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.549 -4.298 16.605 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.398 -7.314 16.398 1.00 0.00 C ATOM 0 H ILE A 58 6.748 -4.167 16.376 1.00 0.00 H new ATOM 0 HA ILE A 58 4.437 -3.618 14.670 1.00 0.00 H new ATOM 0 HB ILE A 58 4.426 -5.078 17.341 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.205 -5.992 14.743 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.860 -6.367 15.177 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.938 -5.047 17.109 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.606 -3.401 17.221 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.099 -4.050 15.644 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.363 -8.201 15.766 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.083 -7.487 17.228 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.401 -7.106 16.787 1.00 0.00 H new ATOM 825 N ASN A 59 4.289 -1.490 16.014 1.00 0.00 N ATOM 826 CA ASN A 59 4.033 -0.239 16.747 1.00 0.00 C ATOM 827 C ASN A 59 5.336 0.354 17.336 1.00 0.00 C ATOM 828 O ASN A 59 5.323 1.142 18.285 1.00 0.00 O ATOM 829 CB ASN A 59 2.963 -0.503 17.839 1.00 0.00 C ATOM 830 CG ASN A 59 2.228 0.743 18.302 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.601 1.392 19.276 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.161 1.066 17.613 1.00 0.00 N ATOM 0 H ASN A 59 4.006 -1.442 15.035 1.00 0.00 H new ATOM 0 HA ASN A 59 3.649 0.511 16.056 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.236 -1.219 17.455 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.444 -0.968 18.699 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.609 1.881 17.880 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.883 0.502 16.810 1.00 0.00 H new ATOM 839 N GLY A 60 6.457 -0.011 16.745 1.00 0.00 N ATOM 840 CA GLY A 60 7.722 0.509 17.192 1.00 0.00 C ATOM 841 C GLY A 60 8.574 -0.498 17.947 1.00 0.00 C ATOM 842 O GLY A 60 9.744 -0.234 18.205 1.00 0.00 O ATOM 0 H GLY A 60 6.512 -0.661 15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.282 0.867 16.328 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.542 1.371 17.834 1.00 0.00 H new ATOM 846 N GLN A 61 8.026 -1.645 18.295 1.00 0.00 N ATOM 847 CA GLN A 61 8.809 -2.627 19.019 1.00 0.00 C ATOM 848 C GLN A 61 9.082 -3.821 18.164 1.00 0.00 C ATOM 849 O GLN A 61 8.188 -4.313 17.465 1.00 0.00 O ATOM 850 CB GLN A 61 8.203 -3.043 20.384 1.00 0.00 C ATOM 851 CG GLN A 61 6.852 -3.744 20.334 1.00 0.00 C ATOM 852 CD GLN A 61 6.487 -4.384 21.666 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.853 -3.767 22.530 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.900 -5.618 21.850 1.00 0.00 N ATOM 0 H GLN A 61 7.064 -1.917 18.094 1.00 0.00 H new ATOM 0 HA GLN A 61 9.752 -2.135 19.260 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.912 -3.701 20.887 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.103 -2.150 21.001 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.082 -3.025 20.055 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.870 -4.509 19.558 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.421 -6.096 21.115 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.700 -6.097 22.728 1.00 0.00 H new ATOM 863 N SER A 62 10.306 -4.264 18.178 1.00 0.00 N ATOM 864 CA SER A 62 10.706 -5.414 17.441 1.00 0.00 C ATOM 865 C SER A 62 10.149 -6.667 18.103 1.00 0.00 C ATOM 866 O SER A 62 10.508 -7.009 19.224 1.00 0.00 O ATOM 867 CB SER A 62 12.229 -5.422 17.313 1.00 0.00 C ATOM 868 OG SER A 62 12.822 -4.806 18.452 1.00 0.00 O ATOM 0 H SER A 62 11.059 -3.827 18.710 1.00 0.00 H new ATOM 0 HA SER A 62 10.299 -5.391 16.430 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.588 -6.447 17.217 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.528 -4.893 16.408 1.00 0.00 H new ATOM 0 HG SER A 62 13.798 -4.818 18.360 1.00 0.00 H new ATOM 874 N VAL A 63 9.231 -7.317 17.418 1.00 0.00 N ATOM 875 CA VAL A 63 8.549 -8.458 17.927 1.00 0.00 C ATOM 876 C VAL A 63 9.024 -9.683 17.186 1.00 0.00 C ATOM 877 O VAL A 63 8.403 -10.751 17.209 1.00 0.00 O ATOM 878 CB VAL A 63 7.042 -8.266 17.737 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.601 -6.980 18.453 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.712 -8.200 16.252 1.00 0.00 C ATOM 0 H VAL A 63 8.943 -7.051 16.476 1.00 0.00 H new ATOM 0 HA VAL A 63 8.757 -8.583 18.990 1.00 0.00 H new ATOM 0 HB VAL A 63 6.504 -9.111 18.168 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.528 -6.839 18.320 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.828 -7.059 19.516 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.134 -6.128 18.031 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.638 -8.063 16.124 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.241 -7.362 15.799 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.020 -9.127 15.769 1.00 0.00 H new ATOM 890 N VAL A 64 10.162 -9.535 16.579 1.00 0.00 N ATOM 891 CA VAL A 64 10.729 -10.564 15.770 1.00 0.00 C ATOM 892 C VAL A 64 11.253 -11.727 16.628 1.00 0.00 C ATOM 893 O VAL A 64 11.428 -12.845 16.151 1.00 0.00 O ATOM 894 CB VAL A 64 11.811 -9.989 14.846 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.073 -9.618 15.585 1.00 0.00 C ATOM 896 CG2 VAL A 64 12.059 -10.892 13.672 1.00 0.00 C ATOM 0 H VAL A 64 10.727 -8.687 16.634 1.00 0.00 H new ATOM 0 HA VAL A 64 9.943 -10.975 15.136 1.00 0.00 H new ATOM 0 HB VAL A 64 11.429 -9.049 14.447 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.802 -9.217 14.881 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.845 -8.865 16.339 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.485 -10.504 16.069 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.830 -10.458 13.036 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.389 -11.868 14.027 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.138 -11.006 13.100 1.00 0.00 H new ATOM 906 N ALA A 65 11.459 -11.465 17.898 1.00 0.00 N ATOM 907 CA ALA A 65 11.895 -12.476 18.822 1.00 0.00 C ATOM 908 C ALA A 65 10.838 -12.643 19.912 1.00 0.00 C ATOM 909 O ALA A 65 11.058 -13.307 20.936 1.00 0.00 O ATOM 910 CB ALA A 65 13.239 -12.086 19.411 1.00 0.00 C ATOM 0 H ALA A 65 11.328 -10.544 18.316 1.00 0.00 H new ATOM 0 HA ALA A 65 12.018 -13.429 18.308 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.566 -12.855 20.111 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.972 -11.988 18.611 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.144 -11.135 19.935 1.00 0.00 H new ATOM 916 N THR A 66 9.691 -12.058 19.671 1.00 0.00 N ATOM 917 CA THR A 66 8.593 -12.079 20.567 1.00 0.00 C ATOM 918 C THR A 66 7.792 -13.382 20.367 1.00 0.00 C ATOM 919 O THR A 66 7.635 -13.845 19.233 1.00 0.00 O ATOM 920 CB THR A 66 7.728 -10.810 20.313 1.00 0.00 C ATOM 921 OG1 THR A 66 8.535 -9.664 20.558 1.00 0.00 O ATOM 922 CG2 THR A 66 6.528 -10.733 21.208 1.00 0.00 C ATOM 0 H THR A 66 9.504 -11.540 18.813 1.00 0.00 H new ATOM 0 HA THR A 66 8.930 -12.063 21.604 1.00 0.00 H new ATOM 0 HB THR A 66 7.372 -10.856 19.284 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.970 -8.927 20.872 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.965 -9.827 20.984 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.895 -11.605 21.043 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.851 -10.711 22.249 1.00 0.00 H new ATOM 930 N PRO A 67 7.376 -14.039 21.468 1.00 0.00 N ATOM 931 CA PRO A 67 6.569 -15.267 21.409 1.00 0.00 C ATOM 932 C PRO A 67 5.224 -15.065 20.695 1.00 0.00 C ATOM 933 O PRO A 67 4.688 -13.946 20.660 1.00 0.00 O ATOM 934 CB PRO A 67 6.314 -15.595 22.883 1.00 0.00 C ATOM 935 CG PRO A 67 7.397 -14.910 23.625 1.00 0.00 C ATOM 936 CD PRO A 67 7.699 -13.667 22.858 1.00 0.00 C ATOM 0 HA PRO A 67 7.082 -16.049 20.850 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.333 -15.241 23.201 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.337 -16.671 23.057 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.084 -14.674 24.642 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.280 -15.545 23.702 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.095 -12.827 23.200 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.743 -13.373 22.963 1.00 0.00 H new ATOM 944 N HIS A 68 4.698 -16.162 20.151 1.00 0.00 N ATOM 945 CA HIS A 68 3.403 -16.239 19.449 1.00 0.00 C ATOM 946 C HIS A 68 2.319 -15.507 20.218 1.00 0.00 C ATOM 947 O HIS A 68 1.670 -14.614 19.683 1.00 0.00 O ATOM 948 CB HIS A 68 3.011 -17.744 19.309 1.00 0.00 C ATOM 949 CG HIS A 68 1.662 -18.055 18.669 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.530 -18.873 17.573 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.385 -17.696 19.014 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.250 -18.995 17.264 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.458 -18.295 18.118 1.00 0.00 N ATOM 0 H HIS A 68 5.177 -17.062 20.185 1.00 0.00 H new ATOM 0 HA HIS A 68 3.499 -15.769 18.470 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.785 -18.242 18.725 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.025 -18.191 20.303 1.00 0.00 H new ATOM 0 HD1 HIS A 68 2.301 -19.318 17.074 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.098 -17.060 19.838 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.147 -19.575 16.444 1.00 0.00 H new ATOM 962 N GLU A 69 2.152 -15.901 21.457 1.00 0.00 N ATOM 963 CA GLU A 69 1.112 -15.390 22.323 1.00 0.00 C ATOM 964 C GLU A 69 1.240 -13.899 22.479 1.00 0.00 C ATOM 965 O GLU A 69 0.257 -13.174 22.417 1.00 0.00 O ATOM 966 CB GLU A 69 1.257 -16.011 23.677 1.00 0.00 C ATOM 967 CG GLU A 69 0.193 -15.604 24.651 1.00 0.00 C ATOM 968 CD GLU A 69 0.559 -15.943 26.062 1.00 0.00 C ATOM 969 OE1 GLU A 69 0.308 -17.078 26.499 1.00 0.00 O ATOM 970 OE2 GLU A 69 1.124 -15.065 26.763 1.00 0.00 O ATOM 0 H GLU A 69 2.746 -16.600 21.903 1.00 0.00 H new ATOM 0 HA GLU A 69 0.144 -15.629 21.883 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.243 -17.096 23.571 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.231 -15.743 24.086 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.020 -14.531 24.570 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.743 -16.098 24.391 1.00 0.00 H new ATOM 977 N LYS A 70 2.465 -13.462 22.670 1.00 0.00 N ATOM 978 CA LYS A 70 2.767 -12.070 22.865 1.00 0.00 C ATOM 979 C LYS A 70 2.391 -11.278 21.676 1.00 0.00 C ATOM 980 O LYS A 70 1.597 -10.365 21.783 1.00 0.00 O ATOM 981 CB LYS A 70 4.240 -11.872 23.200 1.00 0.00 C ATOM 982 CG LYS A 70 4.524 -11.803 24.669 1.00 0.00 C ATOM 983 CD LYS A 70 4.019 -13.016 25.392 1.00 0.00 C ATOM 984 CE LYS A 70 4.059 -12.772 26.852 1.00 0.00 C ATOM 985 NZ LYS A 70 3.457 -13.897 27.616 1.00 0.00 N ATOM 0 H LYS A 70 3.283 -14.071 22.694 1.00 0.00 H new ATOM 0 HA LYS A 70 2.178 -11.715 23.711 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.814 -12.691 22.767 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.589 -10.953 22.729 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.598 -11.707 24.827 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.059 -10.911 25.088 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.000 -13.242 25.078 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.630 -13.883 25.140 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.092 -12.629 27.169 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.525 -11.850 27.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.239 -13.583 28.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.582 -14.206 27.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.129 -14.690 27.653 1.00 0.00 H new ATOM 999 N ILE A 71 2.898 -11.682 20.539 1.00 0.00 N ATOM 1000 CA ILE A 71 2.624 -11.024 19.278 1.00 0.00 C ATOM 1001 C ILE A 71 1.113 -10.873 19.072 1.00 0.00 C ATOM 1002 O ILE A 71 0.631 -9.798 18.732 1.00 0.00 O ATOM 1003 CB ILE A 71 3.275 -11.809 18.106 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.791 -11.834 18.285 1.00 0.00 C ATOM 1005 CG2 ILE A 71 2.927 -11.193 16.770 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.534 -12.603 17.227 1.00 0.00 C ATOM 0 H ILE A 71 3.520 -12.486 20.457 1.00 0.00 H new ATOM 0 HA ILE A 71 3.062 -10.026 19.299 1.00 0.00 H new ATOM 0 HB ILE A 71 2.885 -12.827 18.120 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.159 -10.808 18.296 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.022 -12.266 19.259 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.398 -11.766 15.971 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.845 -11.204 16.635 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.286 -10.164 16.739 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.603 -12.567 17.435 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.199 -13.640 17.228 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.339 -12.160 16.250 1.00 0.00 H new ATOM 1018 N VAL A 72 0.377 -11.919 19.390 1.00 0.00 N ATOM 1019 CA VAL A 72 -1.071 -11.900 19.250 1.00 0.00 C ATOM 1020 C VAL A 72 -1.737 -10.996 20.318 1.00 0.00 C ATOM 1021 O VAL A 72 -2.652 -10.229 20.011 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.648 -13.347 19.301 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.169 -13.359 19.285 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.116 -14.152 18.129 1.00 0.00 C ATOM 0 H VAL A 72 0.756 -12.796 19.748 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.304 -11.473 18.275 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.326 -13.797 20.240 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.525 -14.389 19.322 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.546 -12.813 20.150 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.527 -12.884 18.372 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.522 -15.163 18.168 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.416 -13.677 17.195 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.028 -14.195 18.181 1.00 0.00 H new ATOM 1034 N HIS A 73 -1.220 -11.037 21.539 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.791 -10.290 22.666 1.00 0.00 C ATOM 1036 C HIS A 73 -1.560 -8.802 22.470 1.00 0.00 C ATOM 1037 O HIS A 73 -2.443 -7.971 22.722 1.00 0.00 O ATOM 1038 CB HIS A 73 -1.158 -10.768 23.996 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.704 -10.114 25.243 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.756 -10.625 25.950 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.330 -8.995 25.903 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -3.008 -9.861 26.986 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.160 -8.860 26.981 1.00 0.00 N ATOM 0 H HIS A 73 -0.395 -11.586 21.782 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.865 -10.473 22.709 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.299 -11.846 24.080 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.084 -10.589 23.953 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.524 -8.330 25.629 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.783 -10.028 27.719 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.126 -8.106 27.667 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.379 -8.490 22.018 1.00 0.00 N ATOM 1053 CA ILE A 74 0.049 -7.156 21.769 1.00 0.00 C ATOM 1054 C ILE A 74 -0.694 -6.577 20.572 1.00 0.00 C ATOM 1055 O ILE A 74 -1.186 -5.448 20.636 1.00 0.00 O ATOM 1056 CB ILE A 74 1.578 -7.155 21.604 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.184 -7.557 22.961 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.090 -5.793 21.156 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.512 -8.234 22.865 1.00 0.00 C ATOM 0 H ILE A 74 0.334 -9.189 21.807 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.192 -6.505 22.609 1.00 0.00 H new ATOM 0 HB ILE A 74 1.873 -7.862 20.828 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.288 -6.664 23.578 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.488 -8.220 23.475 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.174 -5.829 21.050 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.640 -5.532 20.198 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.823 -5.042 21.899 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.867 -8.483 23.865 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.413 -9.147 22.277 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.226 -7.567 22.382 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.826 -7.366 19.505 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.644 -6.947 18.343 1.00 0.00 C ATOM 1073 C LEU A 75 -3.088 -6.704 18.750 1.00 0.00 C ATOM 1074 O LEU A 75 -3.690 -5.710 18.364 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.615 -7.981 17.214 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.340 -8.059 16.390 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.427 -9.214 15.408 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.111 -6.749 15.649 1.00 0.00 C ATOM 0 H LEU A 75 -0.390 -8.283 19.411 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.204 -6.019 17.977 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.800 -8.964 17.648 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.444 -7.770 16.538 1.00 0.00 H new ATOM 0 HG LEU A 75 0.503 -8.230 17.059 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.490 -9.263 14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.558 -10.148 15.955 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.276 -9.062 14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.805 -6.818 15.063 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.953 -6.555 14.985 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.021 -5.935 16.368 1.00 0.00 H new ATOM 1090 N SER A 76 -3.621 -7.608 19.550 1.00 0.00 N ATOM 1091 CA SER A 76 -4.991 -7.550 20.023 1.00 0.00 C ATOM 1092 C SER A 76 -5.280 -6.261 20.812 1.00 0.00 C ATOM 1093 O SER A 76 -6.399 -5.780 20.805 1.00 0.00 O ATOM 1094 CB SER A 76 -5.329 -8.805 20.861 1.00 0.00 C ATOM 1095 OG SER A 76 -6.694 -8.823 21.290 1.00 0.00 O ATOM 0 H SER A 76 -3.105 -8.417 19.895 1.00 0.00 H new ATOM 0 HA SER A 76 -5.638 -7.533 19.146 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.125 -9.698 20.271 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.676 -8.843 21.733 1.00 0.00 H new ATOM 0 HG SER A 76 -6.862 -9.634 21.814 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.281 -5.675 21.437 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.534 -4.489 22.258 1.00 0.00 C ATOM 1103 C ASN A 77 -3.986 -3.212 21.657 1.00 0.00 C ATOM 1104 O ASN A 77 -4.187 -2.123 22.204 1.00 0.00 O ATOM 1105 CB ASN A 77 -4.055 -4.681 23.702 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.901 -5.695 24.453 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.901 -5.341 25.096 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.529 -6.952 24.370 1.00 0.00 N ATOM 0 H ASN A 77 -3.309 -5.982 21.401 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.617 -4.372 22.278 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.015 -5.008 23.698 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.086 -3.725 24.224 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.069 -7.676 24.844 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.700 -7.204 23.831 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.318 -3.314 20.533 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.786 -2.124 19.911 1.00 0.00 C ATOM 1117 C ALA A 78 -3.711 -1.639 18.822 1.00 0.00 C ATOM 1118 O ALA A 78 -4.175 -2.428 18.000 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.357 -2.325 19.397 1.00 0.00 C ATOM 0 H ALA A 78 -3.132 -4.187 20.039 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.727 -1.350 20.676 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.002 -1.402 18.938 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.705 -2.591 20.229 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.346 -3.126 18.657 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.021 -0.353 18.855 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.890 0.259 17.869 1.00 0.00 C ATOM 1127 C VAL A 79 -4.188 1.514 17.282 1.00 0.00 C ATOM 1128 O VAL A 79 -3.064 1.858 17.697 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.302 0.632 18.483 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.767 -0.388 19.442 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.379 2.001 19.080 1.00 0.00 C ATOM 0 H VAL A 79 -3.677 0.293 19.565 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.075 -0.460 17.071 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.979 0.647 17.629 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.738 -0.096 19.841 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.857 -1.349 18.936 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.050 -0.473 20.259 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.381 2.170 19.475 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.651 2.088 19.887 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.162 2.745 18.314 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.840 2.185 16.367 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.308 3.353 15.717 1.00 0.00 C ATOM 1143 C GLY A 80 -3.569 2.968 14.483 1.00 0.00 C ATOM 1144 O GLY A 80 -3.791 1.885 13.953 1.00 0.00 O ATOM 0 H GLY A 80 -5.774 1.929 16.047 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.118 4.038 15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.642 3.884 16.397 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.747 3.847 14.001 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.855 3.547 12.904 1.00 0.00 C ATOM 1150 C GLU A 81 -0.724 2.709 13.456 1.00 0.00 C ATOM 1151 O GLU A 81 -0.002 3.151 14.367 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.327 4.841 12.329 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.363 5.636 11.589 1.00 0.00 C ATOM 1154 CD GLU A 81 -1.937 7.048 11.349 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -1.184 7.307 10.386 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -2.377 7.937 12.106 1.00 0.00 O ATOM 0 H GLU A 81 -2.669 4.801 14.353 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.368 3.003 12.110 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.923 5.450 13.138 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.501 4.619 11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.571 5.155 10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.293 5.632 12.157 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.568 1.510 12.964 1.00 0.00 N ATOM 1164 CA ILE A 82 0.395 0.638 13.549 1.00 0.00 C ATOM 1165 C ILE A 82 1.452 0.314 12.532 1.00 0.00 C ATOM 1166 O ILE A 82 1.158 -0.247 11.474 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.303 -0.649 14.062 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.418 -0.285 15.062 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.701 -1.606 14.703 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.376 -1.418 15.369 1.00 0.00 C ATOM 0 H ILE A 82 -1.087 1.126 12.175 1.00 0.00 H new ATOM 0 HA ILE A 82 0.870 1.125 14.400 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.748 -1.158 13.207 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.960 0.050 15.993 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.985 0.557 14.665 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.181 -2.498 15.052 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.454 -1.889 13.968 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.185 -1.114 15.547 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.128 -1.076 16.080 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.866 -1.740 14.450 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.825 -2.255 15.798 1.00 0.00 H new ATOM 1182 N HIS A 83 2.662 0.711 12.844 1.00 0.00 N ATOM 1183 CA HIS A 83 3.812 0.461 12.004 1.00 0.00 C ATOM 1184 C HIS A 83 4.315 -0.916 12.283 1.00 0.00 C ATOM 1185 O HIS A 83 4.786 -1.199 13.376 1.00 0.00 O ATOM 1186 CB HIS A 83 4.979 1.439 12.296 1.00 0.00 C ATOM 1187 CG HIS A 83 4.817 2.876 11.886 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.646 3.475 10.967 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.979 3.848 12.315 1.00 0.00 C ATOM 1190 CE1 HIS A 83 5.327 4.746 10.843 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.320 5.001 11.649 1.00 0.00 N ATOM 0 H HIS A 83 2.880 1.223 13.699 1.00 0.00 H new ATOM 0 HA HIS A 83 3.493 0.590 10.970 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.171 1.418 13.369 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.871 1.050 11.804 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.190 3.738 13.044 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.810 5.458 10.190 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.866 5.907 11.762 1.00 0.00 H new ATOM 1200 N MET A 84 4.181 -1.770 11.354 1.00 0.00 N ATOM 1201 CA MET A 84 4.747 -3.066 11.482 1.00 0.00 C ATOM 1202 C MET A 84 5.751 -3.220 10.401 1.00 0.00 C ATOM 1203 O MET A 84 5.657 -2.565 9.372 1.00 0.00 O ATOM 1204 CB MET A 84 3.731 -4.169 11.326 1.00 0.00 C ATOM 1205 CG MET A 84 2.563 -4.137 12.275 1.00 0.00 C ATOM 1206 SD MET A 84 1.562 -5.613 12.111 1.00 0.00 S ATOM 1207 CE MET A 84 1.503 -5.728 10.332 1.00 0.00 C ATOM 0 H MET A 84 3.680 -1.603 10.482 1.00 0.00 H new ATOM 0 HA MET A 84 5.175 -3.150 12.481 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.345 -4.138 10.307 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.242 -5.125 11.444 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.925 -4.051 13.300 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.953 -3.256 12.077 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.714 -6.420 10.038 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.298 -4.744 9.910 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.461 -6.090 9.959 1.00 0.00 H new ATOM 1217 N LYS A 85 6.674 -4.073 10.587 1.00 0.00 N ATOM 1218 CA LYS A 85 7.673 -4.302 9.601 1.00 0.00 C ATOM 1219 C LYS A 85 7.594 -5.746 9.295 1.00 0.00 C ATOM 1220 O LYS A 85 7.672 -6.558 10.194 1.00 0.00 O ATOM 1221 CB LYS A 85 9.054 -3.975 10.142 1.00 0.00 C ATOM 1222 CG LYS A 85 9.263 -2.574 10.630 1.00 0.00 C ATOM 1223 CD LYS A 85 9.372 -1.586 9.509 1.00 0.00 C ATOM 1224 CE LYS A 85 10.196 -0.386 9.934 1.00 0.00 C ATOM 1225 NZ LYS A 85 9.613 0.390 11.054 1.00 0.00 N ATOM 0 H LYS A 85 6.769 -4.641 11.429 1.00 0.00 H new ATOM 0 HA LYS A 85 7.513 -3.676 8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.270 -4.659 10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.785 -4.177 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.434 -2.292 11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.169 -2.535 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.831 -2.061 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.377 -1.261 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.190 -0.727 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.322 0.275 9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.140 1.279 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.616 0.603 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.673 -0.167 11.930 1.00 0.00 H new ATOM 1239 N THR A 86 7.362 -6.069 8.093 1.00 0.00 N ATOM 1240 CA THR A 86 7.260 -7.449 7.722 1.00 0.00 C ATOM 1241 C THR A 86 8.366 -7.827 6.732 1.00 0.00 C ATOM 1242 O THR A 86 8.749 -7.022 5.898 1.00 0.00 O ATOM 1243 CB THR A 86 5.842 -7.801 7.161 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.587 -7.099 5.944 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.759 -7.418 8.172 1.00 0.00 C ATOM 0 H THR A 86 7.235 -5.406 7.329 1.00 0.00 H new ATOM 0 HA THR A 86 7.397 -8.044 8.625 1.00 0.00 H new ATOM 0 HB THR A 86 5.820 -8.875 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.023 -6.222 5.975 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.778 -7.669 7.767 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.919 -7.965 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.807 -6.347 8.369 1.00 0.00 H new ATOM 1253 N MET A 87 8.913 -9.016 6.873 1.00 0.00 N ATOM 1254 CA MET A 87 9.958 -9.517 5.967 1.00 0.00 C ATOM 1255 C MET A 87 9.427 -10.774 5.318 1.00 0.00 C ATOM 1256 O MET A 87 8.409 -11.260 5.759 1.00 0.00 O ATOM 1257 CB MET A 87 11.241 -9.860 6.743 1.00 0.00 C ATOM 1258 CG MET A 87 11.880 -8.696 7.443 1.00 0.00 C ATOM 1259 SD MET A 87 13.470 -9.117 8.199 1.00 0.00 S ATOM 1260 CE MET A 87 14.467 -9.474 6.745 1.00 0.00 C ATOM 0 H MET A 87 8.656 -9.670 7.612 1.00 0.00 H new ATOM 0 HA MET A 87 10.201 -8.753 5.228 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.009 -10.628 7.481 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.964 -10.292 6.051 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.026 -7.885 6.730 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.204 -8.326 8.213 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.524 -9.382 6.997 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.262 -10.489 6.404 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.220 -8.768 5.952 1.00 0.00 H new ATOM 1270 N PRO A 88 10.087 -11.356 4.288 1.00 0.00 N ATOM 1271 CA PRO A 88 9.624 -12.618 3.639 1.00 0.00 C ATOM 1272 C PRO A 88 9.797 -13.876 4.544 1.00 0.00 C ATOM 1273 O PRO A 88 9.918 -15.000 4.040 1.00 0.00 O ATOM 1274 CB PRO A 88 10.531 -12.734 2.395 1.00 0.00 C ATOM 1275 CG PRO A 88 11.149 -11.386 2.226 1.00 0.00 C ATOM 1276 CD PRO A 88 11.293 -10.830 3.605 1.00 0.00 C ATOM 0 HA PRO A 88 8.557 -12.579 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.293 -13.501 2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.954 -13.015 1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.117 -11.459 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.522 -10.743 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.211 -11.168 4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.316 -9.740 3.603 1.00 0.00 H new ATOM 1284 N ALA A 89 9.783 -13.659 5.877 1.00 0.00 N ATOM 1285 CA ALA A 89 9.906 -14.714 6.897 1.00 0.00 C ATOM 1286 C ALA A 89 11.235 -15.437 6.777 1.00 0.00 C ATOM 1287 O ALA A 89 11.360 -16.631 7.057 1.00 0.00 O ATOM 1288 CB ALA A 89 8.715 -15.657 6.836 1.00 0.00 C ATOM 0 H ALA A 89 9.684 -12.726 6.278 1.00 0.00 H new ATOM 0 HA ALA A 89 9.895 -14.252 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.823 -16.430 7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.798 -15.097 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.669 -16.122 5.851 1.00 0.00 H new ATOM 1294 N ALA A 90 12.223 -14.671 6.408 1.00 0.00 N ATOM 1295 CA ALA A 90 13.559 -15.117 6.240 1.00 0.00 C ATOM 1296 C ALA A 90 14.399 -14.310 7.174 1.00 0.00 C ATOM 1297 O ALA A 90 15.120 -14.872 8.004 1.00 0.00 O ATOM 1298 CB ALA A 90 14.009 -14.902 4.809 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.254 -13.076 7.154 1.00 0.00 O ATOM 0 H ALA A 90 12.104 -13.678 6.210 1.00 0.00 H new ATOM 0 HA ALA A 90 13.647 -16.182 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.036 -15.249 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.360 -15.462 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.955 -13.841 4.566 1.00 0.00 H new TER 1305 ALA A 90