USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 75 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.0809 USER MOD Single : A 32 ASN : amide:sc=-0.00378 K(o=-0.0038,f=-0.93) USER MOD Single : A 34 SER OG : rot 52:sc= 0.0154 USER MOD Single : A 35 THR OG1 : rot -43:sc= 0.763 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 42 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.12) USER MOD Single : A 46 ASN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 47 SER OG : rot -6:sc= 1.16 USER MOD Single : A 48 THR OG1 : rot 86:sc= 0.00804 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.29) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -42:sc= 0.0411 USER MOD Single : A 77 LYS NZ :NH3+ 159:sc=-0.000985 (180deg=-0.675) USER MOD Single : A 84 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.083) USER MOD Single : A 85 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.57) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -106:sc= 1.2 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 10.508 -20.690 -0.871 1.00 0.00 N ATOM 2 CA GLY A 31 9.100 -20.943 -1.218 1.00 0.00 C ATOM 3 C GLY A 31 8.964 -21.174 -2.711 1.00 0.00 C ATOM 4 O GLY A 31 8.638 -20.230 -3.417 1.00 0.00 O ATOM 0 HA2 GLY A 31 8.734 -21.813 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.485 -20.095 -0.916 1.00 0.00 H new ATOM 8 N ASN A 32 9.270 -22.391 -3.183 1.00 0.00 N ATOM 9 CA ASN A 32 9.151 -22.762 -4.598 1.00 0.00 C ATOM 10 C ASN A 32 7.777 -23.401 -4.866 1.00 0.00 C ATOM 11 O ASN A 32 6.904 -22.774 -5.462 1.00 0.00 O ATOM 12 CB ASN A 32 10.339 -23.673 -4.988 1.00 0.00 C ATOM 13 CG ASN A 32 10.473 -23.872 -6.497 1.00 0.00 C ATOM 14 OD1 ASN A 32 9.944 -23.127 -7.303 1.00 0.00 O ATOM 15 ND2 ASN A 32 11.204 -24.879 -6.926 1.00 0.00 N ATOM 0 H ASN A 32 9.609 -23.149 -2.590 1.00 0.00 H new ATOM 0 HA ASN A 32 9.203 -21.877 -5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 32 11.262 -23.241 -4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.216 -24.644 -4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.325 -25.031 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 32 11.650 -25.507 -6.257 1.00 0.00 H new ATOM 22 N GLY A 33 7.574 -24.631 -4.377 1.00 0.00 N ATOM 23 CA GLY A 33 6.318 -25.370 -4.479 1.00 0.00 C ATOM 24 C GLY A 33 5.429 -25.218 -3.239 1.00 0.00 C ATOM 25 O GLY A 33 5.724 -24.452 -2.322 1.00 0.00 O ATOM 0 H GLY A 33 8.302 -25.150 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.770 -25.025 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.536 -26.426 -4.635 1.00 0.00 H new ATOM 29 N SER A 34 4.341 -25.991 -3.212 1.00 0.00 N ATOM 30 CA SER A 34 3.328 -26.022 -2.154 1.00 0.00 C ATOM 31 C SER A 34 3.319 -27.388 -1.450 1.00 0.00 C ATOM 32 O SER A 34 2.465 -28.241 -1.687 1.00 0.00 O ATOM 33 CB SER A 34 1.959 -25.648 -2.737 1.00 0.00 C ATOM 34 OG SER A 34 1.696 -26.385 -3.918 1.00 0.00 O ATOM 0 H SER A 34 4.132 -26.646 -3.966 1.00 0.00 H new ATOM 0 HA SER A 34 3.573 -25.283 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.180 -25.843 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.931 -24.580 -2.956 1.00 0.00 H new ATOM 0 HG SER A 34 1.826 -27.340 -3.743 1.00 0.00 H new ATOM 40 N THR A 35 4.305 -27.592 -0.572 1.00 0.00 N ATOM 41 CA THR A 35 4.510 -28.824 0.216 1.00 0.00 C ATOM 42 C THR A 35 4.634 -28.547 1.717 1.00 0.00 C ATOM 43 O THR A 35 5.300 -29.294 2.436 1.00 0.00 O ATOM 44 CB THR A 35 5.710 -29.621 -0.327 1.00 0.00 C ATOM 45 OG1 THR A 35 5.768 -30.875 0.312 1.00 0.00 O ATOM 46 CG2 THR A 35 7.061 -28.922 -0.121 1.00 0.00 C ATOM 0 H THR A 35 5.011 -26.882 -0.379 1.00 0.00 H new ATOM 0 HA THR A 35 3.618 -29.439 0.100 1.00 0.00 H new ATOM 0 HB THR A 35 5.548 -29.716 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.594 -30.762 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.858 -29.544 -0.529 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.054 -27.959 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.231 -28.766 0.944 1.00 0.00 H new ATOM 54 N ILE A 36 4.032 -27.453 2.189 1.00 0.00 N ATOM 55 CA ILE A 36 4.046 -27.087 3.602 1.00 0.00 C ATOM 56 C ILE A 36 2.888 -27.794 4.326 1.00 0.00 C ATOM 57 O ILE A 36 1.898 -28.199 3.713 1.00 0.00 O ATOM 58 CB ILE A 36 4.012 -25.549 3.757 1.00 0.00 C ATOM 59 CG1 ILE A 36 5.041 -24.823 2.844 1.00 0.00 C ATOM 60 CG2 ILE A 36 4.261 -25.156 5.228 1.00 0.00 C ATOM 61 CD1 ILE A 36 4.408 -24.192 1.593 1.00 0.00 C ATOM 0 H ILE A 36 3.521 -26.797 1.599 1.00 0.00 H new ATOM 0 HA ILE A 36 4.971 -27.422 4.070 1.00 0.00 H new ATOM 0 HB ILE A 36 3.019 -25.228 3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.542 -24.045 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.807 -25.534 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.235 -24.071 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.487 -25.595 5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.237 -25.524 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.182 -23.702 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.931 -24.969 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.662 -23.457 1.894 1.00 0.00 H new ATOM 73 N THR A 37 3.034 -27.973 5.641 1.00 0.00 N ATOM 74 CA THR A 37 2.024 -28.509 6.558 1.00 0.00 C ATOM 75 C THR A 37 0.792 -27.596 6.660 1.00 0.00 C ATOM 76 O THR A 37 0.720 -26.563 6.011 1.00 0.00 O ATOM 77 CB THR A 37 2.643 -28.731 7.958 1.00 0.00 C ATOM 78 OG1 THR A 37 4.044 -28.521 7.981 1.00 0.00 O ATOM 79 CG2 THR A 37 2.375 -30.162 8.424 1.00 0.00 C ATOM 0 H THR A 37 3.903 -27.736 6.119 1.00 0.00 H new ATOM 0 HA THR A 37 1.688 -29.464 6.154 1.00 0.00 H new ATOM 0 HB THR A 37 2.175 -28.002 8.619 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.383 -28.673 8.888 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.814 -30.312 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.300 -30.333 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.820 -30.864 7.719 1.00 0.00 H new ATOM 87 N PHE A 38 -0.195 -27.957 7.486 1.00 0.00 N ATOM 88 CA PHE A 38 -1.403 -27.146 7.697 1.00 0.00 C ATOM 89 C PHE A 38 -1.213 -26.063 8.779 1.00 0.00 C ATOM 90 O PHE A 38 -2.045 -25.164 8.903 1.00 0.00 O ATOM 91 CB PHE A 38 -2.579 -28.075 8.033 1.00 0.00 C ATOM 92 CG PHE A 38 -3.173 -28.802 6.833 1.00 0.00 C ATOM 93 CD1 PHE A 38 -2.400 -29.706 6.074 1.00 0.00 C ATOM 94 CD2 PHE A 38 -4.514 -28.570 6.466 1.00 0.00 C ATOM 95 CE1 PHE A 38 -2.954 -30.357 4.958 1.00 0.00 C ATOM 96 CE2 PHE A 38 -5.074 -29.234 5.359 1.00 0.00 C ATOM 97 CZ PHE A 38 -4.294 -30.127 4.605 1.00 0.00 C ATOM 0 H PHE A 38 -0.181 -28.820 8.029 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.616 -26.606 6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.245 -28.814 8.761 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.364 -27.489 8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.375 -29.899 6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.115 -27.879 7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.350 -31.034 4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.105 -29.057 5.089 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.724 -30.636 3.755 1.00 0.00 H new ATOM 107 N ASP A 39 -0.112 -26.112 9.540 1.00 0.00 N ATOM 108 CA ASP A 39 0.239 -25.158 10.596 1.00 0.00 C ATOM 109 C ASP A 39 0.275 -23.706 10.102 1.00 0.00 C ATOM 110 O ASP A 39 -0.164 -22.802 10.819 1.00 0.00 O ATOM 111 CB ASP A 39 1.607 -25.541 11.177 1.00 0.00 C ATOM 112 CG ASP A 39 1.593 -26.933 11.817 1.00 0.00 C ATOM 113 OD1 ASP A 39 1.471 -27.908 11.040 1.00 0.00 O ATOM 114 OD2 ASP A 39 1.691 -27.003 13.061 1.00 0.00 O ATOM 0 H ASP A 39 0.586 -26.848 9.431 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.537 -25.211 11.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.357 -25.514 10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.903 -24.803 11.922 1.00 0.00 H new ATOM 119 N GLU A 40 0.749 -23.494 8.865 1.00 0.00 N ATOM 120 CA GLU A 40 0.724 -22.196 8.188 1.00 0.00 C ATOM 121 C GLU A 40 -0.690 -21.608 8.183 1.00 0.00 C ATOM 122 O GLU A 40 -0.867 -20.484 8.646 1.00 0.00 O ATOM 123 CB GLU A 40 1.334 -22.276 6.772 1.00 0.00 C ATOM 124 CG GLU A 40 0.638 -23.265 5.820 1.00 0.00 C ATOM 125 CD GLU A 40 1.281 -23.376 4.428 1.00 0.00 C ATOM 126 OE1 GLU A 40 2.373 -22.798 4.227 1.00 0.00 O ATOM 127 OE2 GLU A 40 0.655 -24.022 3.556 1.00 0.00 O ATOM 0 H GLU A 40 1.167 -24.234 8.301 1.00 0.00 H new ATOM 0 HA GLU A 40 1.356 -21.511 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.306 -21.283 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.384 -22.557 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.633 -24.252 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.403 -22.963 5.702 1.00 0.00 H new ATOM 134 N LEU A 41 -1.693 -22.379 7.731 1.00 0.00 N ATOM 135 CA LEU A 41 -3.097 -21.977 7.629 1.00 0.00 C ATOM 136 C LEU A 41 -3.684 -21.641 8.999 1.00 0.00 C ATOM 137 O LEU A 41 -4.395 -20.643 9.132 1.00 0.00 O ATOM 138 CB LEU A 41 -3.938 -23.095 6.983 1.00 0.00 C ATOM 139 CG LEU A 41 -3.673 -23.378 5.493 1.00 0.00 C ATOM 140 CD1 LEU A 41 -4.508 -24.594 5.056 1.00 0.00 C ATOM 141 CD2 LEU A 41 -4.015 -22.157 4.631 1.00 0.00 C ATOM 0 H LEU A 41 -1.537 -23.336 7.415 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.130 -21.085 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.768 -24.016 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.991 -22.841 7.100 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.613 -23.592 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.326 -24.801 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.224 -25.463 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.566 -24.381 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.818 -22.385 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.068 -21.907 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.402 -21.310 4.940 1.00 0.00 H new ATOM 153 N GLN A 42 -3.382 -22.476 10.004 1.00 0.00 N ATOM 154 CA GLN A 42 -3.785 -22.257 11.392 1.00 0.00 C ATOM 155 C GLN A 42 -3.291 -20.898 11.886 1.00 0.00 C ATOM 156 O GLN A 42 -4.114 -20.027 12.163 1.00 0.00 O ATOM 157 CB GLN A 42 -3.286 -23.393 12.304 1.00 0.00 C ATOM 158 CG GLN A 42 -4.014 -24.726 12.089 1.00 0.00 C ATOM 159 CD GLN A 42 -5.462 -24.654 12.564 1.00 0.00 C ATOM 160 OE1 GLN A 42 -5.764 -24.804 13.736 1.00 0.00 O ATOM 161 NE2 GLN A 42 -6.408 -24.394 11.682 1.00 0.00 N ATOM 0 H GLN A 42 -2.844 -23.332 9.869 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.874 -22.259 11.432 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.220 -23.541 12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.404 -23.089 13.344 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.989 -24.989 11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.492 -25.518 12.627 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.168 -24.267 10.699 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.380 -24.320 11.983 1.00 0.00 H new ATOM 170 N GLY A 43 -1.969 -20.692 11.963 1.00 0.00 N ATOM 171 CA GLY A 43 -1.399 -19.419 12.414 1.00 0.00 C ATOM 172 C GLY A 43 -1.861 -18.216 11.572 1.00 0.00 C ATOM 173 O GLY A 43 -2.079 -17.133 12.121 1.00 0.00 O ATOM 0 H GLY A 43 -1.273 -21.396 11.717 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.675 -19.253 13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.311 -19.483 12.379 1.00 0.00 H new ATOM 177 N LEU A 44 -2.080 -18.425 10.266 1.00 0.00 N ATOM 178 CA LEU A 44 -2.584 -17.428 9.319 1.00 0.00 C ATOM 179 C LEU A 44 -3.944 -16.851 9.734 1.00 0.00 C ATOM 180 O LEU A 44 -4.076 -15.656 10.019 1.00 0.00 O ATOM 181 CB LEU A 44 -2.687 -18.049 7.911 1.00 0.00 C ATOM 182 CG LEU A 44 -1.580 -17.622 6.930 1.00 0.00 C ATOM 183 CD1 LEU A 44 -1.373 -18.703 5.860 1.00 0.00 C ATOM 184 CD2 LEU A 44 -1.954 -16.276 6.293 1.00 0.00 C ATOM 0 H LEU A 44 -1.903 -19.328 9.827 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.873 -16.602 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.668 -19.135 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.654 -17.783 7.483 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.640 -17.503 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.588 -18.389 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.083 -19.638 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.301 -18.851 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.171 -15.972 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.897 -16.377 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.060 -15.522 7.072 1.00 0.00 H new ATOM 196 N VAL A 45 -4.984 -17.692 9.732 1.00 0.00 N ATOM 197 CA VAL A 45 -6.323 -17.253 10.143 1.00 0.00 C ATOM 198 C VAL A 45 -6.367 -16.865 11.625 1.00 0.00 C ATOM 199 O VAL A 45 -7.186 -16.032 12.005 1.00 0.00 O ATOM 200 CB VAL A 45 -7.395 -18.286 9.764 1.00 0.00 C ATOM 201 CG1 VAL A 45 -7.268 -19.580 10.582 1.00 0.00 C ATOM 202 CG2 VAL A 45 -8.817 -17.697 9.861 1.00 0.00 C ATOM 0 H VAL A 45 -4.926 -18.671 9.453 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.558 -16.345 9.587 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.220 -18.549 8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.047 -20.280 10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.290 -20.027 10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.377 -19.352 11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.546 -18.459 9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.005 -17.368 10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.906 -16.848 9.184 1.00 0.00 H new ATOM 212 N ASN A 46 -5.453 -17.405 12.446 1.00 0.00 N ATOM 213 CA ASN A 46 -5.343 -17.079 13.863 1.00 0.00 C ATOM 214 C ASN A 46 -5.019 -15.601 14.105 1.00 0.00 C ATOM 215 O ASN A 46 -5.714 -14.951 14.885 1.00 0.00 O ATOM 216 CB ASN A 46 -4.300 -17.992 14.536 1.00 0.00 C ATOM 217 CG ASN A 46 -4.288 -17.893 16.052 1.00 0.00 C ATOM 218 OD1 ASN A 46 -3.262 -17.701 16.686 1.00 0.00 O ATOM 219 ND2 ASN A 46 -5.434 -18.064 16.677 1.00 0.00 N ATOM 0 H ASN A 46 -4.764 -18.089 12.133 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.318 -17.257 14.316 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.496 -19.025 14.250 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.310 -17.739 14.157 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.468 -18.036 17.696 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.288 -18.224 16.142 1.00 0.00 H new ATOM 226 N SER A 47 -3.939 -15.066 13.519 1.00 0.00 N ATOM 227 CA SER A 47 -3.548 -13.659 13.736 1.00 0.00 C ATOM 228 C SER A 47 -2.651 -13.104 12.622 1.00 0.00 C ATOM 229 O SER A 47 -1.643 -12.440 12.883 1.00 0.00 O ATOM 230 CB SER A 47 -2.898 -13.478 15.118 1.00 0.00 C ATOM 231 OG SER A 47 -3.836 -13.700 16.154 1.00 0.00 O ATOM 0 H SER A 47 -3.320 -15.581 12.893 1.00 0.00 H new ATOM 0 HA SER A 47 -4.467 -13.073 13.704 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.063 -14.171 15.224 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.490 -12.471 15.202 1.00 0.00 H new ATOM 0 HG SER A 47 -4.727 -13.827 15.767 1.00 0.00 H new ATOM 237 N THR A 48 -3.039 -13.343 11.365 1.00 0.00 N ATOM 238 CA THR A 48 -2.325 -12.848 10.180 1.00 0.00 C ATOM 239 C THR A 48 -3.308 -12.292 9.155 1.00 0.00 C ATOM 240 O THR A 48 -3.227 -11.112 8.816 1.00 0.00 O ATOM 241 CB THR A 48 -1.461 -13.951 9.550 1.00 0.00 C ATOM 242 OG1 THR A 48 -0.662 -14.608 10.506 1.00 0.00 O ATOM 243 CG2 THR A 48 -0.540 -13.438 8.452 1.00 0.00 C ATOM 0 H THR A 48 -3.868 -13.892 11.138 1.00 0.00 H new ATOM 0 HA THR A 48 -1.663 -12.044 10.501 1.00 0.00 H new ATOM 0 HB THR A 48 -2.181 -14.645 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.177 -15.331 10.921 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.042 -14.267 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.136 -12.992 7.656 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.134 -12.687 8.864 1.00 0.00 H new ATOM 251 N VAL A 49 -4.261 -13.111 8.682 1.00 0.00 N ATOM 252 CA VAL A 49 -5.247 -12.662 7.687 1.00 0.00 C ATOM 253 C VAL A 49 -6.187 -11.610 8.280 1.00 0.00 C ATOM 254 O VAL A 49 -6.492 -10.622 7.623 1.00 0.00 O ATOM 255 CB VAL A 49 -6.022 -13.848 7.069 1.00 0.00 C ATOM 256 CG1 VAL A 49 -7.217 -14.314 7.912 1.00 0.00 C ATOM 257 CG2 VAL A 49 -6.523 -13.483 5.666 1.00 0.00 C ATOM 0 H VAL A 49 -4.369 -14.083 8.971 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.700 -12.189 6.871 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.312 -14.674 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.710 -15.149 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.867 -14.633 8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.923 -13.492 8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.067 -14.327 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.185 -12.620 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.673 -13.242 5.027 1.00 0.00 H new ATOM 267 N THR A 50 -6.606 -11.802 9.541 1.00 0.00 N ATOM 268 CA THR A 50 -7.545 -10.914 10.235 1.00 0.00 C ATOM 269 C THR A 50 -6.939 -9.524 10.443 1.00 0.00 C ATOM 270 O THR A 50 -7.611 -8.509 10.269 1.00 0.00 O ATOM 271 CB THR A 50 -8.029 -11.553 11.549 1.00 0.00 C ATOM 272 OG1 THR A 50 -9.213 -10.905 11.946 1.00 0.00 O ATOM 273 CG2 THR A 50 -7.005 -11.510 12.689 1.00 0.00 C ATOM 0 H THR A 50 -6.297 -12.589 10.112 1.00 0.00 H new ATOM 0 HA THR A 50 -8.424 -10.777 9.606 1.00 0.00 H new ATOM 0 HB THR A 50 -8.194 -12.611 11.347 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.538 -11.300 12.782 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.428 -11.981 13.576 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.104 -12.045 12.389 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.754 -10.473 12.914 1.00 0.00 H new ATOM 281 N GLN A 51 -5.628 -9.474 10.720 1.00 0.00 N ATOM 282 CA GLN A 51 -4.892 -8.236 10.947 1.00 0.00 C ATOM 283 C GLN A 51 -4.857 -7.356 9.690 1.00 0.00 C ATOM 284 O GLN A 51 -4.889 -6.133 9.801 1.00 0.00 O ATOM 285 CB GLN A 51 -3.494 -8.582 11.488 1.00 0.00 C ATOM 286 CG GLN A 51 -2.823 -7.418 12.242 1.00 0.00 C ATOM 287 CD GLN A 51 -2.039 -6.448 11.360 1.00 0.00 C ATOM 288 OE1 GLN A 51 -2.193 -5.240 11.439 1.00 0.00 O ATOM 289 NE2 GLN A 51 -1.126 -6.925 10.534 1.00 0.00 N ATOM 0 H GLN A 51 -5.046 -10.309 10.792 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.405 -7.634 11.697 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.573 -9.440 12.156 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.856 -8.883 10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.591 -6.860 12.777 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.148 -7.831 12.992 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.985 -7.932 10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.562 -6.286 9.974 1.00 0.00 H new ATOM 298 N ALA A 52 -4.873 -7.973 8.501 1.00 0.00 N ATOM 299 CA ALA A 52 -4.864 -7.280 7.216 1.00 0.00 C ATOM 300 C ALA A 52 -6.080 -6.355 7.056 1.00 0.00 C ATOM 301 O ALA A 52 -5.916 -5.171 6.753 1.00 0.00 O ATOM 302 CB ALA A 52 -4.798 -8.317 6.088 1.00 0.00 C ATOM 0 H ALA A 52 -4.893 -8.989 8.409 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.983 -6.640 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.791 -7.807 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.889 -8.910 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.667 -8.972 6.145 1.00 0.00 H new ATOM 308 N ILE A 53 -7.291 -6.888 7.294 1.00 0.00 N ATOM 309 CA ILE A 53 -8.546 -6.125 7.212 1.00 0.00 C ATOM 310 C ILE A 53 -8.479 -4.920 8.156 1.00 0.00 C ATOM 311 O ILE A 53 -8.701 -3.790 7.723 1.00 0.00 O ATOM 312 CB ILE A 53 -9.787 -7.007 7.505 1.00 0.00 C ATOM 313 CG1 ILE A 53 -9.831 -8.275 6.616 1.00 0.00 C ATOM 314 CG2 ILE A 53 -11.080 -6.202 7.284 1.00 0.00 C ATOM 315 CD1 ILE A 53 -9.431 -9.527 7.397 1.00 0.00 C ATOM 0 H ILE A 53 -7.426 -7.866 7.550 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.661 -5.767 6.189 1.00 0.00 H new ATOM 0 HB ILE A 53 -9.709 -7.321 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.836 -8.403 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.161 -8.147 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -11.943 -6.834 7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.091 -5.341 7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.123 -5.860 6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.474 -10.395 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.416 -9.410 7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.117 -9.670 8.232 1.00 0.00 H new ATOM 327 N LEU A 54 -8.131 -5.161 9.429 1.00 0.00 N ATOM 328 CA LEU A 54 -8.024 -4.128 10.463 1.00 0.00 C ATOM 329 C LEU A 54 -7.062 -3.027 10.017 1.00 0.00 C ATOM 330 O LEU A 54 -7.447 -1.857 10.008 1.00 0.00 O ATOM 331 CB LEU A 54 -7.541 -4.720 11.803 1.00 0.00 C ATOM 332 CG LEU A 54 -8.334 -5.937 12.321 1.00 0.00 C ATOM 333 CD1 LEU A 54 -7.487 -6.756 13.309 1.00 0.00 C ATOM 334 CD2 LEU A 54 -9.690 -5.550 12.928 1.00 0.00 C ATOM 0 H LEU A 54 -7.913 -6.097 9.772 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.018 -3.707 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.496 -5.010 11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.578 -3.936 12.560 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.558 -6.563 11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.065 -7.610 13.663 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.585 -7.110 12.809 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.210 -6.130 14.157 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.203 -6.447 13.275 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.533 -4.874 13.768 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.299 -5.054 12.172 1.00 0.00 H new ATOM 346 N PHE A 55 -5.834 -3.408 9.625 1.00 0.00 N ATOM 347 CA PHE A 55 -4.793 -2.497 9.160 1.00 0.00 C ATOM 348 C PHE A 55 -5.281 -1.636 7.995 1.00 0.00 C ATOM 349 O PHE A 55 -5.187 -0.410 8.066 1.00 0.00 O ATOM 350 CB PHE A 55 -3.521 -3.271 8.783 1.00 0.00 C ATOM 351 CG PHE A 55 -2.280 -2.399 8.732 1.00 0.00 C ATOM 352 CD1 PHE A 55 -1.802 -1.801 9.915 1.00 0.00 C ATOM 353 CD2 PHE A 55 -1.599 -2.182 7.519 1.00 0.00 C ATOM 354 CE1 PHE A 55 -0.661 -0.981 9.886 1.00 0.00 C ATOM 355 CE2 PHE A 55 -0.449 -1.370 7.490 1.00 0.00 C ATOM 356 CZ PHE A 55 0.017 -0.767 8.672 1.00 0.00 C ATOM 0 H PHE A 55 -5.538 -4.384 9.626 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.549 -1.823 9.982 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.364 -4.072 9.505 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.666 -3.742 7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.315 -1.974 10.849 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.959 -2.639 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.305 -0.516 10.794 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.075 -1.210 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.896 -0.139 8.648 1.00 0.00 H new ATOM 366 N GLY A 56 -5.855 -2.262 6.960 1.00 0.00 N ATOM 367 CA GLY A 56 -6.427 -1.560 5.815 1.00 0.00 C ATOM 368 C GLY A 56 -7.494 -0.534 6.215 1.00 0.00 C ATOM 369 O GLY A 56 -7.476 0.583 5.700 1.00 0.00 O ATOM 0 H GLY A 56 -5.934 -3.277 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.630 -1.054 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.867 -2.287 5.133 1.00 0.00 H new ATOM 373 N VAL A 57 -8.383 -0.880 7.157 1.00 0.00 N ATOM 374 CA VAL A 57 -9.446 0.011 7.656 1.00 0.00 C ATOM 375 C VAL A 57 -8.856 1.254 8.328 1.00 0.00 C ATOM 376 O VAL A 57 -9.081 2.375 7.862 1.00 0.00 O ATOM 377 CB VAL A 57 -10.396 -0.730 8.623 1.00 0.00 C ATOM 378 CG1 VAL A 57 -11.435 0.230 9.226 1.00 0.00 C ATOM 379 CG2 VAL A 57 -11.135 -1.896 7.947 1.00 0.00 C ATOM 0 H VAL A 57 -8.386 -1.798 7.601 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.029 0.334 6.794 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.762 -1.134 9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.089 -0.320 9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.924 1.019 9.778 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.029 0.672 8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.789 -2.381 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.731 -1.517 7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.410 -2.618 7.572 1.00 0.00 H new ATOM 389 N ARG A 58 -8.103 1.065 9.425 1.00 0.00 N ATOM 390 CA ARG A 58 -7.483 2.174 10.169 1.00 0.00 C ATOM 391 C ARG A 58 -6.599 3.034 9.261 1.00 0.00 C ATOM 392 O ARG A 58 -6.654 4.257 9.349 1.00 0.00 O ATOM 393 CB ARG A 58 -6.723 1.664 11.410 1.00 0.00 C ATOM 394 CG ARG A 58 -5.559 0.720 11.069 1.00 0.00 C ATOM 395 CD ARG A 58 -4.855 0.154 12.299 1.00 0.00 C ATOM 396 NE ARG A 58 -3.707 0.991 12.678 1.00 0.00 N ATOM 397 CZ ARG A 58 -2.910 0.797 13.718 1.00 0.00 C ATOM 398 NH1 ARG A 58 -3.135 -0.167 14.586 1.00 0.00 N ATOM 399 NH2 ARG A 58 -1.866 1.578 13.888 1.00 0.00 N ATOM 0 H ARG A 58 -7.908 0.145 9.819 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.284 2.819 10.531 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.337 2.518 11.967 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.421 1.145 12.066 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.936 -0.105 10.464 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.833 1.257 10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.558 0.095 13.130 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.518 -0.862 12.095 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.506 1.796 12.085 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.938 -0.785 14.466 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.507 -0.296 15.379 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.675 2.326 13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.247 1.436 14.686 1.00 0.00 H new ATOM 413 N SER A 59 -5.832 2.392 8.370 1.00 0.00 N ATOM 414 CA SER A 59 -4.962 3.043 7.392 1.00 0.00 C ATOM 415 C SER A 59 -5.772 3.913 6.426 1.00 0.00 C ATOM 416 O SER A 59 -5.465 5.092 6.269 1.00 0.00 O ATOM 417 CB SER A 59 -4.149 1.984 6.641 1.00 0.00 C ATOM 418 OG SER A 59 -3.289 2.579 5.693 1.00 0.00 O ATOM 0 H SER A 59 -5.802 1.374 8.311 1.00 0.00 H new ATOM 0 HA SER A 59 -4.273 3.704 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.564 1.400 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.825 1.291 6.139 1.00 0.00 H new ATOM 0 HG SER A 59 -2.781 1.881 5.229 1.00 0.00 H new ATOM 424 N GLY A 60 -6.844 3.366 5.837 1.00 0.00 N ATOM 425 CA GLY A 60 -7.730 4.094 4.930 1.00 0.00 C ATOM 426 C GLY A 60 -8.322 5.353 5.568 1.00 0.00 C ATOM 427 O GLY A 60 -8.230 6.437 4.989 1.00 0.00 O ATOM 0 H GLY A 60 -7.120 2.395 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.177 4.372 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.540 3.436 4.614 1.00 0.00 H new ATOM 431 N ALA A 61 -8.895 5.226 6.772 1.00 0.00 N ATOM 432 CA ALA A 61 -9.427 6.371 7.514 1.00 0.00 C ATOM 433 C ALA A 61 -8.339 7.400 7.858 1.00 0.00 C ATOM 434 O ALA A 61 -8.524 8.589 7.584 1.00 0.00 O ATOM 435 CB ALA A 61 -10.136 5.881 8.779 1.00 0.00 C ATOM 0 H ALA A 61 -9.001 4.333 7.254 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.145 6.881 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.531 6.735 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.955 5.217 8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.428 5.341 9.407 1.00 0.00 H new ATOM 441 N ALA A 62 -7.207 6.951 8.424 1.00 0.00 N ATOM 442 CA ALA A 62 -6.079 7.816 8.757 1.00 0.00 C ATOM 443 C ALA A 62 -5.552 8.567 7.525 1.00 0.00 C ATOM 444 O ALA A 62 -5.258 9.754 7.626 1.00 0.00 O ATOM 445 CB ALA A 62 -4.965 6.998 9.415 1.00 0.00 C ATOM 0 H ALA A 62 -7.054 5.971 8.662 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.430 8.567 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.129 7.653 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.343 6.536 10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.629 6.222 8.728 1.00 0.00 H new ATOM 451 N ALA A 63 -5.480 7.906 6.364 1.00 0.00 N ATOM 452 CA ALA A 63 -5.120 8.544 5.105 1.00 0.00 C ATOM 453 C ALA A 63 -6.150 9.595 4.673 1.00 0.00 C ATOM 454 O ALA A 63 -5.761 10.725 4.378 1.00 0.00 O ATOM 455 CB ALA A 63 -4.893 7.481 4.026 1.00 0.00 C ATOM 0 H ALA A 63 -5.672 6.908 6.277 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.186 9.086 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.624 7.966 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.086 6.816 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.807 6.903 3.887 1.00 0.00 H new ATOM 461 N LEU A 64 -7.448 9.257 4.670 1.00 0.00 N ATOM 462 CA LEU A 64 -8.530 10.188 4.329 1.00 0.00 C ATOM 463 C LEU A 64 -8.402 11.503 5.101 1.00 0.00 C ATOM 464 O LEU A 64 -8.276 12.558 4.480 1.00 0.00 O ATOM 465 CB LEU A 64 -9.892 9.500 4.519 1.00 0.00 C ATOM 466 CG LEU A 64 -11.111 10.452 4.422 1.00 0.00 C ATOM 467 CD1 LEU A 64 -12.242 9.773 3.647 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.624 10.880 5.808 1.00 0.00 C ATOM 0 H LEU A 64 -7.777 8.321 4.907 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.451 10.460 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.997 8.717 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.905 9.011 5.493 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.782 11.349 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.095 10.448 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.898 9.527 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.540 8.860 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.478 11.546 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.927 9.998 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.830 11.399 6.345 1.00 0.00 H new ATOM 480 N THR A 65 -8.405 11.446 6.440 1.00 0.00 N ATOM 481 CA THR A 65 -8.287 12.648 7.281 1.00 0.00 C ATOM 482 C THR A 65 -7.020 13.443 6.963 1.00 0.00 C ATOM 483 O THR A 65 -7.116 14.662 6.805 1.00 0.00 O ATOM 484 CB THR A 65 -8.400 12.326 8.781 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.291 13.504 9.547 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.337 11.359 9.288 1.00 0.00 C ATOM 0 H THR A 65 -8.488 10.577 6.967 1.00 0.00 H new ATOM 0 HA THR A 65 -9.136 13.285 7.035 1.00 0.00 H new ATOM 0 HB THR A 65 -9.376 11.854 8.895 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.366 13.283 10.499 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.484 11.182 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.417 10.415 8.749 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.348 11.787 9.124 1.00 0.00 H new ATOM 494 N LEU A 66 -5.872 12.764 6.782 1.00 0.00 N ATOM 495 CA LEU A 66 -4.594 13.375 6.399 1.00 0.00 C ATOM 496 C LEU A 66 -4.740 14.209 5.124 1.00 0.00 C ATOM 497 O LEU A 66 -4.208 15.313 5.047 1.00 0.00 O ATOM 498 CB LEU A 66 -3.471 12.317 6.317 1.00 0.00 C ATOM 499 CG LEU A 66 -2.777 12.075 4.956 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.796 13.196 4.578 1.00 0.00 C ATOM 501 CD2 LEU A 66 -2.093 10.704 4.939 1.00 0.00 C ATOM 0 H LEU A 66 -5.810 11.753 6.902 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.294 14.072 7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.701 12.596 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.888 11.366 6.649 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.556 12.086 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.340 12.971 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.333 14.143 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.019 13.271 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.610 10.550 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.345 10.661 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.837 9.924 5.100 1.00 0.00 H new ATOM 513 N ILE A 67 -5.467 13.697 4.127 1.00 0.00 N ATOM 514 CA ILE A 67 -5.653 14.391 2.854 1.00 0.00 C ATOM 515 C ILE A 67 -6.484 15.652 3.087 1.00 0.00 C ATOM 516 O ILE A 67 -6.097 16.730 2.639 1.00 0.00 O ATOM 517 CB ILE A 67 -6.282 13.448 1.810 1.00 0.00 C ATOM 518 CG1 ILE A 67 -5.343 12.259 1.519 1.00 0.00 C ATOM 519 CG2 ILE A 67 -6.558 14.180 0.489 1.00 0.00 C ATOM 520 CD1 ILE A 67 -6.116 11.012 1.108 1.00 0.00 C ATOM 0 H ILE A 67 -5.940 12.795 4.181 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.688 14.697 2.449 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.223 13.090 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.646 12.532 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.747 12.041 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.001 13.486 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.246 15.006 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.623 14.568 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.417 10.199 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.794 10.723 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.691 11.221 0.206 1.00 0.00 H new ATOM 532 N VAL A 68 -7.586 15.536 3.838 1.00 0.00 N ATOM 533 CA VAL A 68 -8.470 16.669 4.139 1.00 0.00 C ATOM 534 C VAL A 68 -7.698 17.781 4.858 1.00 0.00 C ATOM 535 O VAL A 68 -7.733 18.927 4.404 1.00 0.00 O ATOM 536 CB VAL A 68 -9.716 16.250 4.948 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.773 17.360 4.900 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.365 14.952 4.438 1.00 0.00 C ATOM 0 H VAL A 68 -7.890 14.655 4.254 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.831 17.053 3.185 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.367 16.076 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.648 17.054 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.360 18.274 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.063 17.542 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.235 14.715 5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.676 15.084 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.645 14.136 4.500 1.00 0.00 H new ATOM 548 N VAL A 69 -6.969 17.442 5.939 1.00 0.00 N ATOM 549 CA VAL A 69 -6.124 18.394 6.683 1.00 0.00 C ATOM 550 C VAL A 69 -5.008 18.961 5.804 1.00 0.00 C ATOM 551 O VAL A 69 -4.759 20.163 5.845 1.00 0.00 O ATOM 552 CB VAL A 69 -5.567 17.819 8.003 1.00 0.00 C ATOM 553 CG1 VAL A 69 -4.592 16.665 7.803 1.00 0.00 C ATOM 554 CG2 VAL A 69 -4.845 18.884 8.836 1.00 0.00 C ATOM 0 H VAL A 69 -6.950 16.497 6.321 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.781 19.216 6.968 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.451 17.453 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.242 16.312 8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.094 15.851 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.741 17.005 7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.470 18.434 9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.011 19.290 8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.540 19.687 9.082 1.00 0.00 H new ATOM 564 N TRP A 70 -4.347 18.135 4.987 1.00 0.00 N ATOM 565 CA TRP A 70 -3.287 18.590 4.097 1.00 0.00 C ATOM 566 C TRP A 70 -3.808 19.594 3.070 1.00 0.00 C ATOM 567 O TRP A 70 -3.124 20.582 2.821 1.00 0.00 O ATOM 568 CB TRP A 70 -2.611 17.393 3.420 1.00 0.00 C ATOM 569 CG TRP A 70 -1.734 17.734 2.258 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.790 18.694 2.243 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.761 17.192 0.908 1.00 0.00 C ATOM 572 NE1 TRP A 70 -0.220 18.785 0.994 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.813 17.906 0.114 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.506 16.180 0.272 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -0.619 17.634 -1.248 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -2.317 15.891 -1.091 1.00 0.00 C ATOM 577 CH2 TRP A 70 -1.380 16.616 -1.851 1.00 0.00 C ATOM 0 H TRP A 70 -4.535 17.134 4.928 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.540 19.110 4.696 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.014 16.864 4.163 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.384 16.702 3.082 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -0.519 19.306 3.091 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.541 19.419 0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.233 15.618 0.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.102 18.196 -1.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.895 15.107 -1.558 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.245 16.390 -2.899 1.00 0.00 H new ATOM 588 N ILE A 71 -5.013 19.393 2.523 1.00 0.00 N ATOM 589 CA ILE A 71 -5.634 20.316 1.568 1.00 0.00 C ATOM 590 C ILE A 71 -5.973 21.647 2.247 1.00 0.00 C ATOM 591 O ILE A 71 -5.527 22.696 1.783 1.00 0.00 O ATOM 592 CB ILE A 71 -6.845 19.646 0.862 1.00 0.00 C ATOM 593 CG1 ILE A 71 -6.393 18.966 -0.451 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.965 20.642 0.497 1.00 0.00 C ATOM 595 CD1 ILE A 71 -5.501 17.737 -0.267 1.00 0.00 C ATOM 0 H ILE A 71 -5.589 18.578 2.733 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.922 20.553 0.778 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.237 18.924 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.279 18.673 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.858 19.698 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.780 20.109 0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.337 21.120 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.571 21.402 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.236 17.330 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.594 18.022 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.037 16.981 0.308 1.00 0.00 H new ATOM 607 N THR A 72 -6.754 21.613 3.336 1.00 0.00 N ATOM 608 CA THR A 72 -7.225 22.822 4.035 1.00 0.00 C ATOM 609 C THR A 72 -6.081 23.590 4.704 1.00 0.00 C ATOM 610 O THR A 72 -5.957 24.800 4.525 1.00 0.00 O ATOM 611 CB THR A 72 -8.345 22.469 5.031 1.00 0.00 C ATOM 612 OG1 THR A 72 -8.889 23.631 5.601 1.00 0.00 O ATOM 613 CG2 THR A 72 -7.899 21.564 6.175 1.00 0.00 C ATOM 0 H THR A 72 -7.079 20.744 3.760 1.00 0.00 H new ATOM 0 HA THR A 72 -7.642 23.496 3.286 1.00 0.00 H new ATOM 0 HB THR A 72 -9.082 21.928 4.437 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.600 23.385 6.229 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.746 21.363 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.522 20.625 5.770 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.110 22.057 6.742 1.00 0.00 H new ATOM 621 N SER A 73 -5.194 22.885 5.420 1.00 0.00 N ATOM 622 CA SER A 73 -4.019 23.459 6.086 1.00 0.00 C ATOM 623 C SER A 73 -2.866 23.728 5.110 1.00 0.00 C ATOM 624 O SER A 73 -1.874 24.349 5.487 1.00 0.00 O ATOM 625 CB SER A 73 -3.546 22.507 7.194 1.00 0.00 C ATOM 626 OG SER A 73 -2.753 23.186 8.150 1.00 0.00 O ATOM 0 H SER A 73 -5.276 21.877 5.555 1.00 0.00 H new ATOM 0 HA SER A 73 -4.316 24.419 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.410 22.060 7.686 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.972 21.691 6.755 1.00 0.00 H new ATOM 0 HG SER A 73 -2.139 23.797 7.691 1.00 0.00 H new ATOM 632 N ARG A 74 -2.981 23.259 3.856 1.00 0.00 N ATOM 633 CA ARG A 74 -1.966 23.348 2.802 1.00 0.00 C ATOM 634 C ARG A 74 -0.591 22.851 3.274 1.00 0.00 C ATOM 635 O ARG A 74 0.429 23.462 2.967 1.00 0.00 O ATOM 636 CB ARG A 74 -1.972 24.786 2.247 1.00 0.00 C ATOM 637 CG ARG A 74 -1.309 24.928 0.869 1.00 0.00 C ATOM 638 CD ARG A 74 -2.198 24.353 -0.236 1.00 0.00 C ATOM 639 NE ARG A 74 -1.545 24.454 -1.550 1.00 0.00 N ATOM 640 CZ ARG A 74 -2.034 23.988 -2.692 1.00 0.00 C ATOM 641 NH1 ARG A 74 -3.214 23.414 -2.748 1.00 0.00 N ATOM 642 NH2 ARG A 74 -1.327 24.067 -3.792 1.00 0.00 N ATOM 0 H ARG A 74 -3.827 22.785 3.538 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.211 22.673 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.003 25.134 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.460 25.439 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.107 25.980 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.348 24.414 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.424 23.309 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.148 24.887 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.639 24.922 -1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.776 23.319 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.569 23.063 -3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.398 24.488 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.706 23.708 -4.668 1.00 0.00 H new ATOM 656 N SER A 75 -0.551 21.755 4.045 1.00 0.00 N ATOM 657 CA SER A 75 0.679 21.260 4.687 1.00 0.00 C ATOM 658 C SER A 75 1.818 21.058 3.677 1.00 0.00 C ATOM 659 O SER A 75 1.774 20.159 2.837 1.00 0.00 O ATOM 660 CB SER A 75 0.462 19.969 5.485 1.00 0.00 C ATOM 661 OG SER A 75 1.441 19.908 6.502 1.00 0.00 O ATOM 0 H SER A 75 -1.373 21.184 4.243 1.00 0.00 H new ATOM 0 HA SER A 75 0.967 22.042 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.538 19.954 5.919 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.539 19.100 4.831 1.00 0.00 H new ATOM 0 HG SER A 75 1.318 19.089 7.026 1.00 0.00 H new ATOM 667 N ARG A 76 2.842 21.913 3.751 1.00 0.00 N ATOM 668 CA ARG A 76 3.987 21.923 2.824 1.00 0.00 C ATOM 669 C ARG A 76 5.315 21.571 3.486 1.00 0.00 C ATOM 670 O ARG A 76 6.286 21.275 2.799 1.00 0.00 O ATOM 671 CB ARG A 76 4.095 23.283 2.124 1.00 0.00 C ATOM 672 CG ARG A 76 4.244 24.471 3.094 1.00 0.00 C ATOM 673 CD ARG A 76 2.918 25.215 3.296 1.00 0.00 C ATOM 674 NE ARG A 76 3.116 26.533 3.916 1.00 0.00 N ATOM 675 CZ ARG A 76 3.553 27.626 3.305 1.00 0.00 C ATOM 676 NH1 ARG A 76 3.924 27.608 2.043 1.00 0.00 N ATOM 677 NH2 ARG A 76 3.633 28.757 3.959 1.00 0.00 N ATOM 0 H ARG A 76 2.903 22.634 4.470 1.00 0.00 H new ATOM 0 HA ARG A 76 3.789 21.140 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.951 23.267 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.208 23.437 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.608 24.111 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.993 25.163 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.421 25.338 2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.257 24.615 3.922 1.00 0.00 H new ATOM 0 HE ARG A 76 2.897 26.615 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.879 26.739 1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.256 28.463 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.359 28.799 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.969 29.596 3.487 1.00 0.00 H new ATOM 691 N LYS A 77 5.362 21.602 4.823 1.00 0.00 N ATOM 692 CA LYS A 77 6.526 21.198 5.618 1.00 0.00 C ATOM 693 C LYS A 77 6.869 19.719 5.412 1.00 0.00 C ATOM 694 O LYS A 77 8.019 19.320 5.561 1.00 0.00 O ATOM 695 CB LYS A 77 6.262 21.509 7.102 1.00 0.00 C ATOM 696 CG LYS A 77 5.328 20.482 7.775 1.00 0.00 C ATOM 697 CD LYS A 77 4.828 20.907 9.159 1.00 0.00 C ATOM 698 CE LYS A 77 5.759 20.484 10.306 1.00 0.00 C ATOM 699 NZ LYS A 77 7.034 21.240 10.320 1.00 0.00 N ATOM 0 H LYS A 77 4.576 21.915 5.393 1.00 0.00 H new ATOM 0 HA LYS A 77 7.392 21.768 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.211 21.534 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.822 22.503 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.469 20.309 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.855 19.532 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.712 21.991 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.840 20.478 9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.246 20.629 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.974 19.419 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.457 21.190 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.690 20.827 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.851 22.234 10.075 1.00 0.00 H new ATOM 713 N THR A 78 5.848 18.916 5.105 1.00 0.00 N ATOM 714 CA THR A 78 5.943 17.491 4.833 1.00 0.00 C ATOM 715 C THR A 78 6.655 17.233 3.503 1.00 0.00 C ATOM 716 O THR A 78 6.432 17.957 2.533 1.00 0.00 O ATOM 717 CB THR A 78 4.548 16.835 4.814 1.00 0.00 C ATOM 718 OG1 THR A 78 3.525 17.785 4.559 1.00 0.00 O ATOM 719 CG2 THR A 78 4.262 16.155 6.155 1.00 0.00 C ATOM 0 H THR A 78 4.891 19.263 5.038 1.00 0.00 H new ATOM 0 HA THR A 78 6.528 17.044 5.637 1.00 0.00 H new ATOM 0 HB THR A 78 4.551 16.098 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.655 17.335 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.274 15.696 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.013 15.387 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.295 16.896 6.953 1.00 0.00 H new ATOM 727 N PRO A 79 7.472 16.170 3.434 1.00 0.00 N ATOM 728 CA PRO A 79 8.204 15.802 2.230 1.00 0.00 C ATOM 729 C PRO A 79 7.245 15.391 1.106 1.00 0.00 C ATOM 730 O PRO A 79 6.418 14.494 1.277 1.00 0.00 O ATOM 731 CB PRO A 79 9.144 14.667 2.656 1.00 0.00 C ATOM 732 CG PRO A 79 8.486 14.080 3.903 1.00 0.00 C ATOM 733 CD PRO A 79 7.733 15.240 4.521 1.00 0.00 C ATOM 0 HA PRO A 79 8.773 16.636 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.246 13.919 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.145 15.040 2.873 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.813 13.262 3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.229 13.678 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.803 14.903 4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.321 15.713 5.307 1.00 0.00 H new ATOM 741 N ILE A 80 7.395 16.009 -0.074 1.00 0.00 N ATOM 742 CA ILE A 80 6.624 15.683 -1.285 1.00 0.00 C ATOM 743 C ILE A 80 6.612 14.186 -1.597 1.00 0.00 C ATOM 744 O ILE A 80 5.571 13.655 -1.970 1.00 0.00 O ATOM 745 CB ILE A 80 7.132 16.463 -2.520 1.00 0.00 C ATOM 746 CG1 ILE A 80 8.678 16.452 -2.639 1.00 0.00 C ATOM 747 CG2 ILE A 80 6.588 17.901 -2.473 1.00 0.00 C ATOM 748 CD1 ILE A 80 9.221 16.923 -3.992 1.00 0.00 C ATOM 0 H ILE A 80 8.067 16.763 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 80 5.601 15.990 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 80 6.759 15.961 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.093 17.086 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.036 15.439 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.944 18.453 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.498 17.878 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.935 18.392 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.310 16.881 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.841 16.276 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.899 17.948 -4.176 1.00 0.00 H new ATOM 760 N PHE A 81 7.746 13.505 -1.397 1.00 0.00 N ATOM 761 CA PHE A 81 7.895 12.075 -1.633 1.00 0.00 C ATOM 762 C PHE A 81 6.878 11.254 -0.831 1.00 0.00 C ATOM 763 O PHE A 81 6.260 10.346 -1.379 1.00 0.00 O ATOM 764 CB PHE A 81 9.340 11.661 -1.313 1.00 0.00 C ATOM 765 CG PHE A 81 9.724 10.325 -1.915 1.00 0.00 C ATOM 766 CD1 PHE A 81 9.837 10.208 -3.314 1.00 0.00 C ATOM 767 CD2 PHE A 81 9.966 9.205 -1.096 1.00 0.00 C ATOM 768 CE1 PHE A 81 10.185 8.976 -3.894 1.00 0.00 C ATOM 769 CE2 PHE A 81 10.323 7.974 -1.678 1.00 0.00 C ATOM 770 CZ PHE A 81 10.433 7.860 -3.076 1.00 0.00 C ATOM 0 H PHE A 81 8.601 13.947 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 81 7.690 11.867 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 81 10.021 12.428 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 81 9.467 11.615 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.656 11.067 -3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.878 9.291 -0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.262 8.887 -4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.513 7.116 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 81 10.708 6.915 -3.521 1.00 0.00 H new ATOM 780 N ILE A 82 6.648 11.623 0.437 1.00 0.00 N ATOM 781 CA ILE A 82 5.646 10.999 1.304 1.00 0.00 C ATOM 782 C ILE A 82 4.258 11.243 0.715 1.00 0.00 C ATOM 783 O ILE A 82 3.542 10.289 0.430 1.00 0.00 O ATOM 784 CB ILE A 82 5.774 11.519 2.757 1.00 0.00 C ATOM 785 CG1 ILE A 82 6.849 10.760 3.568 1.00 0.00 C ATOM 786 CG2 ILE A 82 4.458 11.483 3.553 1.00 0.00 C ATOM 787 CD1 ILE A 82 8.264 10.745 2.967 1.00 0.00 C ATOM 0 H ILE A 82 7.163 12.376 0.894 1.00 0.00 H new ATOM 0 HA ILE A 82 5.812 9.923 1.350 1.00 0.00 H new ATOM 0 HB ILE A 82 6.071 12.560 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.904 11.202 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.519 9.729 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.631 11.863 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.714 12.104 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.095 10.457 3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.931 10.185 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.237 10.272 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.628 11.768 2.867 1.00 0.00 H new ATOM 799 N ILE A 83 3.880 12.510 0.506 1.00 0.00 N ATOM 800 CA ILE A 83 2.531 12.861 0.048 1.00 0.00 C ATOM 801 C ILE A 83 2.202 12.212 -1.302 1.00 0.00 C ATOM 802 O ILE A 83 1.103 11.687 -1.501 1.00 0.00 O ATOM 803 CB ILE A 83 2.353 14.389 -0.032 1.00 0.00 C ATOM 804 CG1 ILE A 83 2.764 15.149 1.250 1.00 0.00 C ATOM 805 CG2 ILE A 83 0.892 14.689 -0.391 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.004 14.730 2.514 1.00 0.00 C ATOM 0 H ILE A 83 4.493 13.313 0.648 1.00 0.00 H new ATOM 0 HA ILE A 83 1.830 12.469 0.785 1.00 0.00 H new ATOM 0 HB ILE A 83 3.033 14.752 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.831 15.001 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.612 16.216 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.746 15.768 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.653 14.235 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.237 14.278 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.358 15.315 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.938 14.905 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.175 13.671 2.707 1.00 0.00 H new ATOM 818 N ASN A 84 3.175 12.214 -2.217 1.00 0.00 N ATOM 819 CA ASN A 84 3.063 11.558 -3.505 1.00 0.00 C ATOM 820 C ASN A 84 2.821 10.055 -3.347 1.00 0.00 C ATOM 821 O ASN A 84 1.853 9.549 -3.915 1.00 0.00 O ATOM 822 CB ASN A 84 4.324 11.854 -4.330 1.00 0.00 C ATOM 823 CG ASN A 84 4.163 11.401 -5.770 1.00 0.00 C ATOM 824 OD1 ASN A 84 4.909 10.574 -6.264 1.00 0.00 O ATOM 825 ND2 ASN A 84 3.179 11.928 -6.474 1.00 0.00 N ATOM 0 H ASN A 84 4.071 12.680 -2.074 1.00 0.00 H new ATOM 0 HA ASN A 84 2.197 11.952 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.534 12.923 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.180 11.350 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.036 11.644 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.561 12.619 -6.049 1.00 0.00 H new ATOM 832 N GLN A 85 3.655 9.371 -2.547 1.00 0.00 N ATOM 833 CA GLN A 85 3.476 7.957 -2.222 1.00 0.00 C ATOM 834 C GLN A 85 2.095 7.683 -1.631 1.00 0.00 C ATOM 835 O GLN A 85 1.474 6.707 -2.031 1.00 0.00 O ATOM 836 CB GLN A 85 4.578 7.466 -1.265 1.00 0.00 C ATOM 837 CG GLN A 85 5.925 7.233 -1.966 1.00 0.00 C ATOM 838 CD GLN A 85 5.892 6.109 -2.995 1.00 0.00 C ATOM 839 OE1 GLN A 85 5.083 5.199 -2.956 1.00 0.00 O ATOM 840 NE2 GLN A 85 6.771 6.145 -3.976 1.00 0.00 N ATOM 0 H GLN A 85 4.475 9.790 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 85 3.555 7.400 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.712 8.198 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.255 6.538 -0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.233 8.156 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.681 7.004 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.454 6.901 -4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.768 5.417 -4.690 1.00 0.00 H new ATOM 849 N VAL A 86 1.586 8.548 -0.742 1.00 0.00 N ATOM 850 CA VAL A 86 0.256 8.400 -0.134 1.00 0.00 C ATOM 851 C VAL A 86 -0.821 8.360 -1.219 1.00 0.00 C ATOM 852 O VAL A 86 -1.511 7.350 -1.347 1.00 0.00 O ATOM 853 CB VAL A 86 -0.052 9.509 0.896 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.471 9.343 1.474 1.00 0.00 C ATOM 855 CG2 VAL A 86 0.995 9.591 2.024 1.00 0.00 C ATOM 0 H VAL A 86 2.089 9.376 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 86 0.255 7.455 0.410 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.001 10.455 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.664 10.136 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.202 9.401 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.552 8.374 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.723 10.389 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.028 8.642 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.975 9.800 1.596 1.00 0.00 H new ATOM 865 N SER A 87 -0.962 9.442 -1.999 1.00 0.00 N ATOM 866 CA SER A 87 -1.983 9.515 -3.048 1.00 0.00 C ATOM 867 C SER A 87 -1.828 8.368 -4.044 1.00 0.00 C ATOM 868 O SER A 87 -2.773 7.604 -4.243 1.00 0.00 O ATOM 869 CB SER A 87 -1.944 10.859 -3.773 1.00 0.00 C ATOM 870 OG SER A 87 -3.120 10.975 -4.548 1.00 0.00 O ATOM 0 H SER A 87 -0.381 10.277 -1.921 1.00 0.00 H new ATOM 0 HA SER A 87 -2.955 9.422 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.879 11.677 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.061 10.923 -4.409 1.00 0.00 H new ATOM 0 HG SER A 87 -3.116 11.833 -5.021 1.00 0.00 H new ATOM 876 N LEU A 88 -0.626 8.199 -4.616 1.00 0.00 N ATOM 877 CA LEU A 88 -0.333 7.114 -5.551 1.00 0.00 C ATOM 878 C LEU A 88 -0.758 5.760 -4.987 1.00 0.00 C ATOM 879 O LEU A 88 -1.524 5.058 -5.645 1.00 0.00 O ATOM 880 CB LEU A 88 1.158 7.113 -5.932 1.00 0.00 C ATOM 881 CG LEU A 88 1.538 8.136 -7.016 1.00 0.00 C ATOM 882 CD1 LEU A 88 3.049 8.077 -7.258 1.00 0.00 C ATOM 883 CD2 LEU A 88 0.831 7.841 -8.349 1.00 0.00 C ATOM 0 H LEU A 88 0.168 8.814 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.916 7.287 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.749 7.313 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.431 6.116 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 88 1.230 9.121 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.323 8.801 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.575 8.313 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.326 7.076 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.125 8.585 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.115 6.849 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.249 7.880 -8.205 1.00 0.00 H new ATOM 895 N PHE A 89 -0.315 5.412 -3.771 1.00 0.00 N ATOM 896 CA PHE A 89 -0.653 4.152 -3.116 1.00 0.00 C ATOM 897 C PHE A 89 -2.164 3.898 -3.083 1.00 0.00 C ATOM 898 O PHE A 89 -2.595 2.799 -3.432 1.00 0.00 O ATOM 899 CB PHE A 89 -0.047 4.123 -1.705 1.00 0.00 C ATOM 900 CG PHE A 89 -0.419 2.899 -0.894 1.00 0.00 C ATOM 901 CD1 PHE A 89 -0.190 1.613 -1.417 1.00 0.00 C ATOM 902 CD2 PHE A 89 -1.020 3.045 0.372 1.00 0.00 C ATOM 903 CE1 PHE A 89 -0.576 0.476 -0.689 1.00 0.00 C ATOM 904 CE2 PHE A 89 -1.391 1.906 1.107 1.00 0.00 C ATOM 905 CZ PHE A 89 -1.174 0.622 0.575 1.00 0.00 C ATOM 0 H PHE A 89 0.295 6.009 -3.212 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.223 3.341 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.039 4.174 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.368 5.014 -1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.284 1.500 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.195 4.031 0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.414 -0.510 -1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.843 2.017 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.467 -0.252 1.138 1.00 0.00 H new ATOM 915 N LEU A 90 -2.966 4.913 -2.729 1.00 0.00 N ATOM 916 CA LEU A 90 -4.432 4.825 -2.711 1.00 0.00 C ATOM 917 C LEU A 90 -4.994 4.418 -4.080 1.00 0.00 C ATOM 918 O LEU A 90 -5.788 3.476 -4.170 1.00 0.00 O ATOM 919 CB LEU A 90 -5.046 6.170 -2.281 1.00 0.00 C ATOM 920 CG LEU A 90 -4.682 6.624 -0.859 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.852 8.142 -0.725 1.00 0.00 C ATOM 922 CD2 LEU A 90 -5.546 5.918 0.189 1.00 0.00 C ATOM 0 H LEU A 90 -2.611 5.826 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.701 4.054 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.728 6.939 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.131 6.098 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.640 6.357 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.591 8.449 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.198 8.646 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.888 8.412 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.264 6.261 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.596 6.149 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.394 4.841 0.120 1.00 0.00 H new ATOM 934 N ILE A 91 -4.585 5.125 -5.145 1.00 0.00 N ATOM 935 CA ILE A 91 -5.026 4.822 -6.513 1.00 0.00 C ATOM 936 C ILE A 91 -4.552 3.435 -6.942 1.00 0.00 C ATOM 937 O ILE A 91 -5.371 2.633 -7.386 1.00 0.00 O ATOM 938 CB ILE A 91 -4.573 5.899 -7.525 1.00 0.00 C ATOM 939 CG1 ILE A 91 -5.190 7.279 -7.181 1.00 0.00 C ATOM 940 CG2 ILE A 91 -4.954 5.469 -8.957 1.00 0.00 C ATOM 941 CD1 ILE A 91 -4.146 8.346 -6.823 1.00 0.00 C ATOM 0 H ILE A 91 -3.944 5.916 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.116 4.828 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.489 5.998 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.777 7.627 -8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.879 7.161 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.631 6.233 -9.664 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.465 4.524 -9.195 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.035 5.345 -9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.649 9.285 -6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.575 8.019 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.471 8.492 -7.666 1.00 0.00 H new ATOM 953 N ILE A 92 -3.252 3.144 -6.797 1.00 0.00 N ATOM 954 CA ILE A 92 -2.644 1.863 -7.181 1.00 0.00 C ATOM 955 C ILE A 92 -3.384 0.696 -6.511 1.00 0.00 C ATOM 956 O ILE A 92 -3.696 -0.294 -7.178 1.00 0.00 O ATOM 957 CB ILE A 92 -1.135 1.847 -6.837 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.337 2.926 -7.606 1.00 0.00 C ATOM 959 CG2 ILE A 92 -0.531 0.459 -7.134 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.952 3.312 -6.867 1.00 0.00 C ATOM 0 H ILE A 92 -2.582 3.804 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.737 1.744 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.056 2.071 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.089 2.556 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.958 3.811 -7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.531 0.464 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.040 -0.295 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.656 0.226 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.485 4.072 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.702 3.707 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.585 2.432 -6.755 1.00 0.00 H new ATOM 972 N LEU A 93 -3.719 0.846 -5.222 1.00 0.00 N ATOM 973 CA LEU A 93 -4.565 -0.084 -4.481 1.00 0.00 C ATOM 974 C LEU A 93 -5.914 -0.264 -5.178 1.00 0.00 C ATOM 975 O LEU A 93 -6.227 -1.384 -5.578 1.00 0.00 O ATOM 976 CB LEU A 93 -4.697 0.368 -3.009 1.00 0.00 C ATOM 977 CG LEU A 93 -5.942 -0.158 -2.263 1.00 0.00 C ATOM 978 CD1 LEU A 93 -6.053 -1.691 -2.256 1.00 0.00 C ATOM 979 CD2 LEU A 93 -5.968 0.389 -0.836 1.00 0.00 C ATOM 0 H LEU A 93 -3.400 1.635 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.095 -1.067 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.807 0.047 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.711 1.458 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.810 0.204 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.951 -1.988 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.110 -2.056 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.177 -2.117 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.850 0.012 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.071 0.067 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.001 1.478 -0.864 1.00 0.00 H new ATOM 991 N HIS A 94 -6.709 0.809 -5.309 1.00 0.00 N ATOM 992 CA HIS A 94 -8.043 0.737 -5.908 1.00 0.00 C ATOM 993 C HIS A 94 -7.995 0.110 -7.309 1.00 0.00 C ATOM 994 O HIS A 94 -8.755 -0.818 -7.580 1.00 0.00 O ATOM 995 CB HIS A 94 -8.701 2.124 -5.900 1.00 0.00 C ATOM 996 CG HIS A 94 -10.025 2.199 -6.630 1.00 0.00 C ATOM 997 ND1 HIS A 94 -10.470 3.280 -7.359 1.00 0.00 N ATOM 998 CD2 HIS A 94 -10.986 1.224 -6.718 1.00 0.00 C ATOM 999 CE1 HIS A 94 -11.667 2.957 -7.881 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -12.020 1.716 -7.517 1.00 0.00 N ATOM 0 H HIS A 94 -6.443 1.745 -5.003 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.666 0.077 -5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.853 2.433 -4.866 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -8.013 2.840 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.949 0.250 -6.253 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.261 3.607 -8.506 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.877 1.226 -7.774 1.00 0.00 H new ATOM 1008 N SER A 95 -7.057 0.552 -8.155 1.00 0.00 N ATOM 1009 CA SER A 95 -6.808 0.015 -9.493 1.00 0.00 C ATOM 1010 C SER A 95 -6.582 -1.499 -9.472 1.00 0.00 C ATOM 1011 O SER A 95 -7.266 -2.227 -10.195 1.00 0.00 O ATOM 1012 CB SER A 95 -5.587 0.704 -10.121 1.00 0.00 C ATOM 1013 OG SER A 95 -5.927 1.956 -10.684 1.00 0.00 O ATOM 0 H SER A 95 -6.430 1.320 -7.916 1.00 0.00 H new ATOM 0 HA SER A 95 -7.697 0.215 -10.091 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.817 0.843 -9.362 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.163 0.061 -10.892 1.00 0.00 H new ATOM 0 HG SER A 95 -5.127 2.368 -11.073 1.00 0.00 H new ATOM 1019 N ALA A 96 -5.629 -1.976 -8.657 1.00 0.00 N ATOM 1020 CA ALA A 96 -5.343 -3.400 -8.540 1.00 0.00 C ATOM 1021 C ALA A 96 -6.555 -4.170 -8.005 1.00 0.00 C ATOM 1022 O ALA A 96 -6.977 -5.124 -8.653 1.00 0.00 O ATOM 1023 CB ALA A 96 -4.104 -3.623 -7.668 1.00 0.00 C ATOM 0 H ALA A 96 -5.043 -1.385 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.131 -3.791 -9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.902 -4.691 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.247 -3.124 -8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.280 -3.213 -6.674 1.00 0.00 H new ATOM 1029 N LEU A 97 -7.138 -3.744 -6.869 1.00 0.00 N ATOM 1030 CA LEU A 97 -8.338 -4.349 -6.273 1.00 0.00 C ATOM 1031 C LEU A 97 -9.457 -4.512 -7.317 1.00 0.00 C ATOM 1032 O LEU A 97 -10.093 -5.568 -7.387 1.00 0.00 O ATOM 1033 CB LEU A 97 -8.768 -3.581 -4.991 1.00 0.00 C ATOM 1034 CG LEU A 97 -10.190 -2.973 -4.986 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -11.275 -4.055 -4.830 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -10.354 -1.918 -3.889 1.00 0.00 C ATOM 0 H LEU A 97 -6.779 -2.955 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.101 -5.361 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.687 -4.262 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.054 -2.775 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.318 -2.490 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -12.259 -3.586 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.208 -4.760 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.127 -4.586 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.367 -1.516 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.174 -2.374 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.638 -1.112 -4.050 1.00 0.00 H new ATOM 1048 N TYR A 98 -9.669 -3.477 -8.136 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.715 -3.457 -9.144 1.00 0.00 C ATOM 1050 C TYR A 98 -10.490 -4.551 -10.185 1.00 0.00 C ATOM 1051 O TYR A 98 -11.403 -5.329 -10.459 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.786 -2.068 -9.784 1.00 0.00 C ATOM 1053 CG TYR A 98 -12.092 -1.814 -10.497 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -13.260 -1.637 -9.732 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -12.140 -1.730 -11.900 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -14.486 -1.381 -10.368 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -13.361 -1.444 -12.539 1.00 0.00 C ATOM 1058 CZ TYR A 98 -14.537 -1.276 -11.774 1.00 0.00 C ATOM 1059 OH TYR A 98 -15.719 -0.993 -12.382 1.00 0.00 O ATOM 0 H TYR A 98 -9.110 -2.624 -8.112 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.674 -3.664 -8.670 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.646 -1.311 -9.012 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.964 -1.957 -10.492 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.214 -1.698 -8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.245 -1.884 -12.484 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.386 -1.265 -9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.399 -1.353 -13.614 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.587 -0.954 -13.352 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.254 -4.672 -10.693 1.00 0.00 N ATOM 1070 CA PHE A 99 -8.885 -5.738 -11.622 1.00 0.00 C ATOM 1071 C PHE A 99 -9.242 -7.128 -11.071 1.00 0.00 C ATOM 1072 O PHE A 99 -9.762 -7.958 -11.814 1.00 0.00 O ATOM 1073 CB PHE A 99 -7.395 -5.626 -11.990 1.00 0.00 C ATOM 1074 CG PHE A 99 -6.878 -6.746 -12.876 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.599 -7.139 -14.022 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -5.690 -7.423 -12.538 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.152 -8.216 -14.805 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -5.235 -8.494 -13.329 1.00 0.00 C ATOM 1079 CZ PHE A 99 -5.970 -8.894 -14.460 1.00 0.00 C ATOM 0 H PHE A 99 -8.490 -4.035 -10.470 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.469 -5.615 -12.534 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.229 -4.675 -12.495 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.808 -5.606 -11.072 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.499 -6.610 -14.299 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.126 -7.119 -11.668 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.717 -8.523 -15.673 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.322 -9.009 -13.068 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.626 -9.722 -15.063 1.00 0.00 H new ATOM 1089 N LYS A 100 -9.057 -7.363 -9.763 1.00 0.00 N ATOM 1090 CA LYS A 100 -9.412 -8.632 -9.102 1.00 0.00 C ATOM 1091 C LYS A 100 -10.918 -8.870 -9.100 1.00 0.00 C ATOM 1092 O LYS A 100 -11.369 -9.922 -9.544 1.00 0.00 O ATOM 1093 CB LYS A 100 -8.867 -8.751 -7.667 1.00 0.00 C ATOM 1094 CG LYS A 100 -7.614 -7.913 -7.410 1.00 0.00 C ATOM 1095 CD LYS A 100 -6.963 -8.117 -6.043 1.00 0.00 C ATOM 1096 CE LYS A 100 -8.000 -7.963 -4.922 1.00 0.00 C ATOM 1097 NZ LYS A 100 -7.365 -7.629 -3.628 1.00 0.00 N ATOM 0 H LYS A 100 -8.654 -6.674 -9.128 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.928 -9.405 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.645 -8.448 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.642 -9.797 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.879 -8.141 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.873 -6.860 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.511 -9.108 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.160 -7.393 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.712 -7.182 -5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.566 -8.889 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.098 -7.533 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.705 -8.386 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.846 -6.732 -3.717 1.00 0.00 H new ATOM 1111 N TYR A 101 -11.694 -7.900 -8.601 1.00 0.00 N ATOM 1112 CA TYR A 101 -13.151 -8.026 -8.537 1.00 0.00 C ATOM 1113 C TYR A 101 -13.760 -8.292 -9.920 1.00 0.00 C ATOM 1114 O TYR A 101 -14.655 -9.133 -10.032 1.00 0.00 O ATOM 1115 CB TYR A 101 -13.765 -6.786 -7.877 1.00 0.00 C ATOM 1116 CG TYR A 101 -15.261 -6.910 -7.635 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -15.755 -7.958 -6.831 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -16.159 -6.000 -8.229 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -17.139 -8.100 -6.623 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.546 -6.139 -8.023 1.00 0.00 C ATOM 1121 CZ TYR A 101 -18.036 -7.191 -7.218 1.00 0.00 C ATOM 1122 OH TYR A 101 -19.372 -7.358 -7.029 1.00 0.00 O ATOM 0 H TYR A 101 -11.334 -7.018 -8.236 1.00 0.00 H new ATOM 0 HA TYR A 101 -13.389 -8.892 -7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -13.264 -6.604 -6.926 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.577 -5.917 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -15.068 -8.654 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.783 -5.195 -8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -17.513 -8.905 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.233 -5.442 -8.480 1.00 0.00 H new ATOM 0 HH TYR A 101 -19.860 -6.651 -7.501 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.205 -7.656 -10.962 1.00 0.00 N ATOM 1133 CA LEU A 102 -13.560 -7.886 -12.359 1.00 0.00 C ATOM 1134 C LEU A 102 -13.146 -9.282 -12.853 1.00 0.00 C ATOM 1135 O LEU A 102 -13.991 -10.015 -13.373 1.00 0.00 O ATOM 1136 CB LEU A 102 -12.928 -6.794 -13.237 1.00 0.00 C ATOM 1137 CG LEU A 102 -13.483 -5.369 -13.032 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.786 -4.448 -14.042 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -15.009 -5.309 -13.165 1.00 0.00 C ATOM 0 H LEU A 102 -12.478 -6.950 -10.847 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.646 -7.839 -12.435 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.855 -6.777 -13.048 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.063 -7.070 -14.283 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.273 -5.040 -12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.157 -3.430 -13.923 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.710 -4.465 -13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.995 -4.794 -15.054 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.348 -4.284 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.301 -5.643 -14.161 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.465 -5.957 -12.417 1.00 0.00 H new ATOM 1151 N LEU A 103 -11.869 -9.670 -12.693 1.00 0.00 N ATOM 1152 CA LEU A 103 -11.386 -10.993 -13.114 1.00 0.00 C ATOM 1153 C LEU A 103 -12.138 -12.135 -12.400 1.00 0.00 C ATOM 1154 O LEU A 103 -12.293 -13.213 -12.977 1.00 0.00 O ATOM 1155 CB LEU A 103 -9.841 -11.086 -13.011 1.00 0.00 C ATOM 1156 CG LEU A 103 -9.303 -11.778 -11.739 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -9.206 -13.301 -11.924 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -7.934 -11.245 -11.310 1.00 0.00 C ATOM 0 H LEU A 103 -11.150 -9.081 -12.272 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.619 -11.122 -14.171 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.467 -11.624 -13.882 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.429 -10.078 -13.058 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.024 -11.548 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.824 -13.755 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.194 -13.704 -12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.531 -13.525 -12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.606 -11.767 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.212 -11.410 -12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.008 -10.177 -11.103 1.00 0.00 H new ATOM 1170 N SER A 104 -12.648 -11.878 -11.183 1.00 0.00 N ATOM 1171 CA SER A 104 -13.358 -12.849 -10.344 1.00 0.00 C ATOM 1172 C SER A 104 -14.499 -13.547 -11.089 1.00 0.00 C ATOM 1173 O SER A 104 -14.672 -14.759 -10.960 1.00 0.00 O ATOM 1174 CB SER A 104 -13.857 -12.195 -9.041 1.00 0.00 C ATOM 1175 OG SER A 104 -15.101 -11.521 -9.166 1.00 0.00 O ATOM 0 H SER A 104 -12.573 -10.959 -10.746 1.00 0.00 H new ATOM 0 HA SER A 104 -12.638 -13.625 -10.082 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.949 -12.964 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.106 -11.486 -8.693 1.00 0.00 H new ATOM 0 HG SER A 104 -14.950 -10.553 -9.162 1.00 0.00 H new ATOM 1181 N ASN A 105 -15.246 -12.787 -11.901 1.00 0.00 N ATOM 1182 CA ASN A 105 -16.328 -13.293 -12.736 1.00 0.00 C ATOM 1183 C ASN A 105 -15.797 -13.944 -14.027 1.00 0.00 C ATOM 1184 O ASN A 105 -16.288 -14.999 -14.431 1.00 0.00 O ATOM 1185 CB ASN A 105 -17.292 -12.130 -13.038 1.00 0.00 C ATOM 1186 CG ASN A 105 -18.735 -12.596 -13.177 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -19.046 -13.626 -13.752 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -19.675 -11.838 -12.649 1.00 0.00 N ATOM 0 H ASN A 105 -15.106 -11.781 -11.993 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.862 -14.079 -12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.227 -11.390 -12.240 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -16.983 -11.634 -13.958 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.654 -12.114 -12.723 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.423 -10.975 -12.167 1.00 0.00 H new ATOM 1195 N TYR A 106 -14.786 -13.326 -14.660 1.00 0.00 N ATOM 1196 CA TYR A 106 -14.154 -13.817 -15.889 1.00 0.00 C ATOM 1197 C TYR A 106 -13.668 -15.265 -15.770 1.00 0.00 C ATOM 1198 O TYR A 106 -14.157 -16.124 -16.504 1.00 0.00 O ATOM 1199 CB TYR A 106 -12.990 -12.906 -16.324 1.00 0.00 C ATOM 1200 CG TYR A 106 -13.381 -11.731 -17.196 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -14.009 -11.971 -18.434 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -13.073 -10.412 -16.809 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -14.361 -10.898 -19.272 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -13.410 -9.335 -17.649 1.00 0.00 C ATOM 1205 CZ TYR A 106 -14.065 -9.574 -18.875 1.00 0.00 C ATOM 1206 OH TYR A 106 -14.419 -8.523 -19.660 1.00 0.00 O ATOM 0 H TYR A 106 -14.379 -12.454 -14.322 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.930 -13.794 -16.654 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -12.494 -12.526 -15.431 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.259 -13.510 -16.862 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -14.221 -12.984 -18.741 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -12.578 -10.227 -15.867 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.855 -11.085 -20.214 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.167 -8.325 -17.355 1.00 0.00 H new ATOM 0 HH TYR A 106 -14.139 -7.687 -19.233 1.00 0.00 H new ATOM 1216 N SER A 107 -12.673 -15.516 -14.906 1.00 0.00 N ATOM 1217 CA SER A 107 -12.059 -16.831 -14.670 1.00 0.00 C ATOM 1218 C SER A 107 -10.868 -16.701 -13.716 1.00 0.00 C ATOM 1219 O SER A 107 -10.009 -15.840 -13.895 1.00 0.00 O ATOM 1220 CB SER A 107 -11.606 -17.470 -15.997 1.00 0.00 C ATOM 1221 OG SER A 107 -10.705 -18.545 -15.818 1.00 0.00 O ATOM 0 H SER A 107 -12.259 -14.782 -14.332 1.00 0.00 H new ATOM 0 HA SER A 107 -12.808 -17.478 -14.213 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.482 -17.825 -16.540 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.134 -16.708 -16.617 1.00 0.00 H new ATOM 0 HG SER A 107 -10.454 -18.911 -16.692 1.00 0.00 H new ATOM 1227 N SER A 108 -10.812 -17.576 -12.706 1.00 0.00 N ATOM 1228 CA SER A 108 -9.694 -17.676 -11.765 1.00 0.00 C ATOM 1229 C SER A 108 -8.518 -18.436 -12.391 1.00 0.00 C ATOM 1230 O SER A 108 -8.685 -19.553 -12.884 1.00 0.00 O ATOM 1231 CB SER A 108 -10.165 -18.378 -10.487 1.00 0.00 C ATOM 1232 OG SER A 108 -9.094 -18.501 -9.574 1.00 0.00 O ATOM 0 H SER A 108 -11.557 -18.247 -12.517 1.00 0.00 H new ATOM 0 HA SER A 108 -9.349 -16.672 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.978 -17.812 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.560 -19.364 -10.730 1.00 0.00 H new ATOM 0 HG SER A 108 -9.407 -18.949 -8.761 1.00 0.00 H new ATOM 1238 N VAL A 109 -7.324 -17.829 -12.354 1.00 0.00 N ATOM 1239 CA VAL A 109 -6.071 -18.396 -12.874 1.00 0.00 C ATOM 1240 C VAL A 109 -4.957 -18.223 -11.831 1.00 0.00 C ATOM 1241 O VAL A 109 -4.236 -17.228 -11.847 1.00 0.00 O ATOM 1242 CB VAL A 109 -5.689 -17.778 -14.241 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -4.482 -18.514 -14.844 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -6.844 -17.836 -15.255 1.00 0.00 C ATOM 0 H VAL A 109 -7.199 -16.901 -11.949 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.213 -19.462 -13.052 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.447 -16.733 -14.049 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.226 -18.067 -15.805 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.631 -18.432 -14.168 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.732 -19.565 -14.988 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.524 -17.390 -16.197 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.128 -18.875 -15.424 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.699 -17.285 -14.864 1.00 0.00 H new ATOM 1254 N THR A 110 -4.851 -19.186 -10.907 1.00 0.00 N ATOM 1255 CA THR A 110 -3.766 -19.288 -9.909 1.00 0.00 C ATOM 1256 C THR A 110 -2.373 -19.472 -10.538 1.00 0.00 C ATOM 1257 O THR A 110 -1.396 -19.034 -9.886 1.00 0.00 O ATOM 1258 CB THR A 110 -4.080 -20.416 -8.913 1.00 0.00 C ATOM 1259 OG1 THR A 110 -3.233 -20.334 -7.790 1.00 0.00 O ATOM 1260 CG2 THR A 110 -3.952 -21.817 -9.523 1.00 0.00 C ATOM 0 H THR A 110 -5.534 -19.939 -10.826 1.00 0.00 H new ATOM 0 HA THR A 110 -3.725 -18.336 -9.380 1.00 0.00 H new ATOM 0 HB THR A 110 -5.121 -20.274 -8.622 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.447 -21.058 -7.165 1.00 0.00 H new ATOM 0 HG21 THR A 110 -4.187 -22.566 -8.767 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.645 -21.915 -10.358 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.932 -21.967 -9.878 1.00 0.00 H new TER 1268 THR A 110