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 42 GLN : amide:sc= 0.62 K(o=1.2,f=-1.2) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.583 K(o=1.2,f=-0.25) USER MOD Single : A 32 ASN : amide:sc= 1.32 K(o=1.3,f=-2.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -48:sc= 0.252 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 47 SER OG : rot 82:sc= 0.00725 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0538) USER MOD Single : A 78 THR OG1 : rot -175:sc= -1.27 USER MOD Single : A 84 ASN : amide:sc= -0.0305 X(o=-0.031,f=0) USER MOD Single : A 85 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-0.93) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,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 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) 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 -5.180 -33.588 14.125 1.00 0.00 N ATOM 2 CA GLY A 31 -4.022 -33.765 13.217 1.00 0.00 C ATOM 3 C GLY A 31 -3.922 -32.687 12.145 1.00 0.00 C ATOM 4 O GLY A 31 -3.770 -33.033 10.980 1.00 0.00 O ATOM 0 HA2 GLY A 31 -3.105 -33.767 13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.093 -34.740 12.735 1.00 0.00 H new ATOM 8 N ASN A 32 -4.016 -31.403 12.506 1.00 0.00 N ATOM 9 CA ASN A 32 -3.974 -30.277 11.569 1.00 0.00 C ATOM 10 C ASN A 32 -2.588 -30.176 10.902 1.00 0.00 C ATOM 11 O ASN A 32 -1.627 -29.760 11.547 1.00 0.00 O ATOM 12 CB ASN A 32 -4.353 -28.976 12.310 1.00 0.00 C ATOM 13 CG ASN A 32 -5.654 -29.107 13.094 1.00 0.00 C ATOM 14 OD1 ASN A 32 -5.699 -29.799 14.104 1.00 0.00 O ATOM 15 ND2 ASN A 32 -6.739 -28.490 12.676 1.00 0.00 N ATOM 0 H ASN A 32 -4.126 -31.112 13.478 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.700 -30.439 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.548 -28.703 12.992 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.448 -28.165 11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.613 -28.589 13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.706 -27.913 11.836 1.00 0.00 H new ATOM 22 N GLY A 33 -2.478 -30.586 9.631 1.00 0.00 N ATOM 23 CA GLY A 33 -1.205 -30.576 8.902 1.00 0.00 C ATOM 24 C GLY A 33 -1.333 -30.655 7.378 1.00 0.00 C ATOM 25 O GLY A 33 -0.716 -29.856 6.676 1.00 0.00 O ATOM 0 H GLY A 33 -3.265 -30.932 9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.663 -29.666 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.600 -31.415 9.245 1.00 0.00 H new ATOM 29 N SER A 34 -2.129 -31.600 6.864 1.00 0.00 N ATOM 30 CA SER A 34 -2.456 -31.723 5.438 1.00 0.00 C ATOM 31 C SER A 34 -3.893 -32.215 5.258 1.00 0.00 C ATOM 32 O SER A 34 -4.453 -32.771 6.201 1.00 0.00 O ATOM 33 CB SER A 34 -1.493 -32.703 4.766 1.00 0.00 C ATOM 34 OG SER A 34 -1.385 -32.357 3.403 1.00 0.00 O ATOM 0 H SER A 34 -2.573 -32.316 7.439 1.00 0.00 H new ATOM 0 HA SER A 34 -2.359 -30.741 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.515 -32.663 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.858 -33.725 4.870 1.00 0.00 H new ATOM 0 HG SER A 34 -0.769 -32.975 2.956 1.00 0.00 H new ATOM 40 N THR A 35 -4.479 -32.027 4.061 1.00 0.00 N ATOM 41 CA THR A 35 -5.869 -32.406 3.702 1.00 0.00 C ATOM 42 C THR A 35 -6.912 -32.069 4.794 1.00 0.00 C ATOM 43 O THR A 35 -7.914 -32.761 4.976 1.00 0.00 O ATOM 44 CB THR A 35 -5.914 -33.869 3.192 1.00 0.00 C ATOM 45 OG1 THR A 35 -7.159 -34.212 2.610 1.00 0.00 O ATOM 46 CG2 THR A 35 -5.567 -34.913 4.258 1.00 0.00 C ATOM 0 H THR A 35 -3.983 -31.591 3.284 1.00 0.00 H new ATOM 0 HA THR A 35 -6.182 -31.774 2.871 1.00 0.00 H new ATOM 0 HB THR A 35 -5.138 -33.894 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.886 -33.923 3.199 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.621 -35.910 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.558 -34.733 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.275 -34.839 5.084 1.00 0.00 H new ATOM 54 N ILE A 36 -6.671 -30.987 5.551 1.00 0.00 N ATOM 55 CA ILE A 36 -7.528 -30.594 6.665 1.00 0.00 C ATOM 56 C ILE A 36 -8.868 -30.076 6.119 1.00 0.00 C ATOM 57 O ILE A 36 -8.966 -29.628 4.973 1.00 0.00 O ATOM 58 CB ILE A 36 -6.851 -29.550 7.591 1.00 0.00 C ATOM 59 CG1 ILE A 36 -5.337 -29.767 7.839 1.00 0.00 C ATOM 60 CG2 ILE A 36 -7.562 -29.534 8.963 1.00 0.00 C ATOM 61 CD1 ILE A 36 -4.441 -29.003 6.854 1.00 0.00 C ATOM 0 H ILE A 36 -5.876 -30.365 5.403 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.708 -31.473 7.284 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.946 -28.603 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.095 -29.456 8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.114 -30.832 7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.084 -28.800 9.612 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.611 -29.270 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.493 -30.521 9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.394 -29.201 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.656 -29.331 5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.636 -27.934 6.939 1.00 0.00 H new ATOM 73 N THR A 37 -9.892 -30.113 6.969 1.00 0.00 N ATOM 74 CA THR A 37 -11.215 -29.538 6.740 1.00 0.00 C ATOM 75 C THR A 37 -11.145 -28.051 6.366 1.00 0.00 C ATOM 76 O THR A 37 -10.172 -27.349 6.650 1.00 0.00 O ATOM 77 CB THR A 37 -12.107 -29.728 7.991 1.00 0.00 C ATOM 78 OG1 THR A 37 -11.378 -30.163 9.125 1.00 0.00 O ATOM 79 CG2 THR A 37 -13.205 -30.761 7.744 1.00 0.00 C ATOM 0 H THR A 37 -9.818 -30.567 7.880 1.00 0.00 H new ATOM 0 HA THR A 37 -11.655 -30.068 5.895 1.00 0.00 H new ATOM 0 HB THR A 37 -12.533 -28.743 8.185 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.987 -30.265 9.886 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.812 -30.869 8.643 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.835 -30.432 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.752 -31.721 7.495 1.00 0.00 H new ATOM 87 N PHE A 38 -12.234 -27.540 5.781 1.00 0.00 N ATOM 88 CA PHE A 38 -12.365 -26.138 5.361 1.00 0.00 C ATOM 89 C PHE A 38 -12.214 -25.120 6.508 1.00 0.00 C ATOM 90 O PHE A 38 -12.015 -23.934 6.247 1.00 0.00 O ATOM 91 CB PHE A 38 -13.714 -25.960 4.644 1.00 0.00 C ATOM 92 CG PHE A 38 -14.923 -26.406 5.452 1.00 0.00 C ATOM 93 CD1 PHE A 38 -15.372 -25.636 6.544 1.00 0.00 C ATOM 94 CD2 PHE A 38 -15.587 -27.606 5.129 1.00 0.00 C ATOM 95 CE1 PHE A 38 -16.458 -26.075 7.321 1.00 0.00 C ATOM 96 CE2 PHE A 38 -16.687 -28.035 5.895 1.00 0.00 C ATOM 97 CZ PHE A 38 -17.119 -27.272 6.994 1.00 0.00 C ATOM 0 H PHE A 38 -13.064 -28.098 5.582 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.537 -25.925 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.836 -24.909 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.691 -26.521 3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.880 -24.705 6.785 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.251 -28.198 4.291 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.785 -25.492 8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.199 -28.950 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.958 -27.605 7.587 1.00 0.00 H new ATOM 107 N ASP A 39 -12.290 -25.579 7.765 1.00 0.00 N ATOM 108 CA ASP A 39 -12.143 -24.794 8.992 1.00 0.00 C ATOM 109 C ASP A 39 -10.823 -23.997 9.015 1.00 0.00 C ATOM 110 O ASP A 39 -10.797 -22.842 9.447 1.00 0.00 O ATOM 111 CB ASP A 39 -12.259 -25.757 10.196 1.00 0.00 C ATOM 112 CG ASP A 39 -12.931 -25.157 11.442 1.00 0.00 C ATOM 113 OD1 ASP A 39 -13.740 -24.216 11.281 1.00 0.00 O ATOM 114 OD2 ASP A 39 -12.713 -25.726 12.537 1.00 0.00 O ATOM 0 H ASP A 39 -12.466 -26.565 7.960 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.935 -24.047 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.822 -26.637 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.260 -26.097 10.468 1.00 0.00 H new ATOM 119 N GLU A 40 -9.742 -24.578 8.469 1.00 0.00 N ATOM 120 CA GLU A 40 -8.447 -23.901 8.323 1.00 0.00 C ATOM 121 C GLU A 40 -8.553 -22.672 7.415 1.00 0.00 C ATOM 122 O GLU A 40 -8.197 -21.566 7.825 1.00 0.00 O ATOM 123 CB GLU A 40 -7.380 -24.855 7.762 1.00 0.00 C ATOM 124 CG GLU A 40 -7.194 -26.134 8.580 1.00 0.00 C ATOM 125 CD GLU A 40 -6.913 -25.873 10.069 1.00 0.00 C ATOM 126 OE1 GLU A 40 -6.143 -24.931 10.398 1.00 0.00 O ATOM 127 OE2 GLU A 40 -7.459 -26.640 10.890 1.00 0.00 O ATOM 0 H GLU A 40 -9.744 -25.535 8.116 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.149 -23.577 9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.650 -25.125 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.427 -24.328 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.090 -26.748 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.370 -26.709 8.158 1.00 0.00 H new ATOM 134 N LEU A 41 -9.061 -22.858 6.187 1.00 0.00 N ATOM 135 CA LEU A 41 -9.290 -21.780 5.224 1.00 0.00 C ATOM 136 C LEU A 41 -10.249 -20.722 5.785 1.00 0.00 C ATOM 137 O LEU A 41 -9.990 -19.530 5.620 1.00 0.00 O ATOM 138 CB LEU A 41 -9.829 -22.331 3.891 1.00 0.00 C ATOM 139 CG LEU A 41 -8.773 -22.731 2.842 1.00 0.00 C ATOM 140 CD1 LEU A 41 -7.841 -21.567 2.474 1.00 0.00 C ATOM 141 CD2 LEU A 41 -7.949 -23.947 3.271 1.00 0.00 C ATOM 0 H LEU A 41 -9.327 -23.777 5.834 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.327 -21.304 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.446 -23.204 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.483 -21.579 3.449 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.340 -23.006 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.116 -21.902 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.429 -20.746 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.316 -21.226 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.221 -24.185 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.428 -23.723 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.611 -24.800 3.422 1.00 0.00 H new ATOM 153 N GLN A 42 -11.315 -21.148 6.473 1.00 0.00 N ATOM 154 CA GLN A 42 -12.224 -20.254 7.189 1.00 0.00 C ATOM 155 C GLN A 42 -11.437 -19.337 8.133 1.00 0.00 C ATOM 156 O GLN A 42 -11.381 -18.133 7.890 1.00 0.00 O ATOM 157 CB GLN A 42 -13.300 -21.062 7.940 1.00 0.00 C ATOM 158 CG GLN A 42 -14.569 -21.311 7.114 1.00 0.00 C ATOM 159 CD GLN A 42 -15.494 -20.093 7.108 1.00 0.00 C ATOM 160 OE1 GLN A 42 -15.275 -19.099 6.431 1.00 0.00 O ATOM 161 NE2 GLN A 42 -16.550 -20.093 7.900 1.00 0.00 N ATOM 0 H GLN A 42 -11.571 -22.133 6.547 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.738 -19.620 6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.878 -22.021 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.569 -20.532 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.292 -21.562 6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -15.103 -22.170 7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.756 -20.910 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.160 -19.276 7.936 1.00 0.00 H new ATOM 170 N GLY A 43 -10.788 -19.876 9.174 1.00 0.00 N ATOM 171 CA GLY A 43 -9.996 -19.059 10.103 1.00 0.00 C ATOM 172 C GLY A 43 -8.900 -18.234 9.410 1.00 0.00 C ATOM 173 O GLY A 43 -8.629 -17.106 9.803 1.00 0.00 O ATOM 0 H GLY A 43 -10.796 -20.872 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.663 -18.385 10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.535 -19.710 10.845 1.00 0.00 H new ATOM 177 N LEU A 44 -8.308 -18.729 8.321 1.00 0.00 N ATOM 178 CA LEU A 44 -7.406 -17.945 7.475 1.00 0.00 C ATOM 179 C LEU A 44 -8.053 -16.639 6.989 1.00 0.00 C ATOM 180 O LEU A 44 -7.544 -15.564 7.303 1.00 0.00 O ATOM 181 CB LEU A 44 -6.920 -18.816 6.307 1.00 0.00 C ATOM 182 CG LEU A 44 -5.483 -19.317 6.509 1.00 0.00 C ATOM 183 CD1 LEU A 44 -5.288 -20.631 5.747 1.00 0.00 C ATOM 184 CD2 LEU A 44 -4.476 -18.257 6.039 1.00 0.00 C ATOM 0 H LEU A 44 -8.441 -19.688 8.000 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.545 -17.643 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.587 -19.670 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.975 -18.242 5.382 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.309 -19.497 7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.268 -20.987 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.989 -21.377 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.469 -20.466 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.462 -18.627 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.634 -18.049 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.617 -17.341 6.614 1.00 0.00 H new ATOM 196 N VAL A 45 -9.162 -16.707 6.242 1.00 0.00 N ATOM 197 CA VAL A 45 -9.825 -15.506 5.692 1.00 0.00 C ATOM 198 C VAL A 45 -10.689 -14.775 6.736 1.00 0.00 C ATOM 199 O VAL A 45 -11.097 -13.647 6.484 1.00 0.00 O ATOM 200 CB VAL A 45 -10.606 -15.813 4.389 1.00 0.00 C ATOM 201 CG1 VAL A 45 -10.815 -14.570 3.502 1.00 0.00 C ATOM 202 CG2 VAL A 45 -9.860 -16.826 3.500 1.00 0.00 C ATOM 0 H VAL A 45 -9.625 -17.583 6.001 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.028 -14.813 5.421 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.562 -16.202 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.368 -14.851 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.379 -13.819 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.846 -14.159 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.441 -17.014 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.885 -16.422 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.726 -17.760 4.046 1.00 0.00 H new ATOM 212 N ASN A 46 -10.879 -15.352 7.931 1.00 0.00 N ATOM 213 CA ASN A 46 -11.676 -14.793 9.034 1.00 0.00 C ATOM 214 C ASN A 46 -10.829 -14.346 10.250 1.00 0.00 C ATOM 215 O ASN A 46 -11.389 -13.831 11.217 1.00 0.00 O ATOM 216 CB ASN A 46 -12.760 -15.810 9.442 1.00 0.00 C ATOM 217 CG ASN A 46 -13.705 -16.207 8.308 1.00 0.00 C ATOM 218 OD1 ASN A 46 -13.902 -15.507 7.326 1.00 0.00 O ATOM 219 ND2 ASN A 46 -14.320 -17.368 8.423 1.00 0.00 N ATOM 0 H ASN A 46 -10.467 -16.255 8.165 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.145 -13.880 8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.275 -16.707 9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.347 -15.390 10.259 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.959 -17.681 7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.156 -17.953 9.242 1.00 0.00 H new ATOM 226 N SER A 47 -9.495 -14.499 10.199 1.00 0.00 N ATOM 227 CA SER A 47 -8.553 -14.125 11.273 1.00 0.00 C ATOM 228 C SER A 47 -7.198 -13.616 10.749 1.00 0.00 C ATOM 229 O SER A 47 -6.666 -12.655 11.302 1.00 0.00 O ATOM 230 CB SER A 47 -8.269 -15.303 12.224 1.00 0.00 C ATOM 231 OG SER A 47 -9.422 -16.041 12.588 1.00 0.00 O ATOM 0 H SER A 47 -9.026 -14.898 9.386 1.00 0.00 H new ATOM 0 HA SER A 47 -9.055 -13.316 11.803 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.555 -15.976 11.749 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.795 -14.921 13.128 1.00 0.00 H new ATOM 0 HG SER A 47 -9.637 -16.682 11.879 1.00 0.00 H new ATOM 237 N THR A 48 -6.627 -14.237 9.702 1.00 0.00 N ATOM 238 CA THR A 48 -5.364 -13.792 9.074 1.00 0.00 C ATOM 239 C THR A 48 -5.646 -12.785 7.957 1.00 0.00 C ATOM 240 O THR A 48 -5.465 -11.584 8.149 1.00 0.00 O ATOM 241 CB THR A 48 -4.535 -14.978 8.541 1.00 0.00 C ATOM 242 OG1 THR A 48 -4.212 -15.846 9.598 1.00 0.00 O ATOM 243 CG2 THR A 48 -3.220 -14.539 7.886 1.00 0.00 C ATOM 0 H THR A 48 -7.028 -15.066 9.263 1.00 0.00 H new ATOM 0 HA THR A 48 -4.770 -13.303 9.846 1.00 0.00 H new ATOM 0 HB THR A 48 -5.152 -15.469 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.687 -16.599 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.680 -15.416 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.435 -13.879 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.609 -14.009 8.616 1.00 0.00 H new ATOM 251 N VAL A 49 -6.103 -13.263 6.788 1.00 0.00 N ATOM 252 CA VAL A 49 -6.405 -12.418 5.628 1.00 0.00 C ATOM 253 C VAL A 49 -7.466 -11.381 5.978 1.00 0.00 C ATOM 254 O VAL A 49 -7.366 -10.267 5.473 1.00 0.00 O ATOM 255 CB VAL A 49 -6.786 -13.253 4.376 1.00 0.00 C ATOM 256 CG1 VAL A 49 -7.873 -12.609 3.503 1.00 0.00 C ATOM 257 CG2 VAL A 49 -5.556 -13.490 3.486 1.00 0.00 C ATOM 0 H VAL A 49 -6.274 -14.255 6.623 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.494 -11.881 5.363 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.180 -14.188 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.083 -13.253 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.782 -12.478 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.527 -11.638 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.845 -14.077 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.152 -12.531 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.796 -14.030 4.051 1.00 0.00 H new ATOM 267 N THR A 50 -8.413 -11.698 6.877 1.00 0.00 N ATOM 268 CA THR A 50 -9.455 -10.758 7.319 1.00 0.00 C ATOM 269 C THR A 50 -8.868 -9.396 7.698 1.00 0.00 C ATOM 270 O THR A 50 -9.452 -8.368 7.367 1.00 0.00 O ATOM 271 CB THR A 50 -10.292 -11.319 8.482 1.00 0.00 C ATOM 272 OG1 THR A 50 -11.558 -10.707 8.491 1.00 0.00 O ATOM 273 CG2 THR A 50 -9.676 -11.131 9.868 1.00 0.00 C ATOM 0 H THR A 50 -8.477 -12.615 7.318 1.00 0.00 H new ATOM 0 HA THR A 50 -10.120 -10.620 6.466 1.00 0.00 H new ATOM 0 HB THR A 50 -10.346 -12.392 8.299 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.090 -11.067 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.338 -11.558 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.709 -11.633 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.541 -10.067 10.065 1.00 0.00 H new ATOM 281 N GLN A 51 -7.692 -9.382 8.347 1.00 0.00 N ATOM 282 CA GLN A 51 -7.028 -8.155 8.766 1.00 0.00 C ATOM 283 C GLN A 51 -6.525 -7.334 7.576 1.00 0.00 C ATOM 284 O GLN A 51 -6.572 -6.108 7.634 1.00 0.00 O ATOM 285 CB GLN A 51 -5.866 -8.466 9.717 1.00 0.00 C ATOM 286 CG GLN A 51 -6.318 -8.887 11.127 1.00 0.00 C ATOM 287 CD GLN A 51 -5.150 -8.852 12.114 1.00 0.00 C ATOM 288 OE1 GLN A 51 -5.188 -8.214 13.156 1.00 0.00 O ATOM 289 NE2 GLN A 51 -4.044 -9.507 11.810 1.00 0.00 N ATOM 0 H GLN A 51 -7.180 -10.229 8.593 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.772 -7.555 9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.259 -9.262 9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.228 -7.586 9.797 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.110 -8.222 11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.739 -9.892 11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.991 -10.045 10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.242 -9.474 12.440 1.00 0.00 H new ATOM 298 N ALA A 52 -6.096 -7.982 6.487 1.00 0.00 N ATOM 299 CA ALA A 52 -5.603 -7.320 5.283 1.00 0.00 C ATOM 300 C ALA A 52 -6.677 -6.415 4.654 1.00 0.00 C ATOM 301 O ALA A 52 -6.373 -5.294 4.241 1.00 0.00 O ATOM 302 CB ALA A 52 -5.118 -8.382 4.285 1.00 0.00 C ATOM 0 H ALA A 52 -6.083 -9.000 6.421 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.768 -6.674 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.749 -7.893 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.315 -8.965 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.945 -9.043 4.026 1.00 0.00 H new ATOM 308 N ILE A 53 -7.933 -6.893 4.608 1.00 0.00 N ATOM 309 CA ILE A 53 -9.082 -6.098 4.154 1.00 0.00 C ATOM 310 C ILE A 53 -9.266 -4.877 5.062 1.00 0.00 C ATOM 311 O ILE A 53 -9.234 -3.747 4.574 1.00 0.00 O ATOM 312 CB ILE A 53 -10.380 -6.940 4.048 1.00 0.00 C ATOM 313 CG1 ILE A 53 -10.219 -8.123 3.062 1.00 0.00 C ATOM 314 CG2 ILE A 53 -11.545 -6.048 3.580 1.00 0.00 C ATOM 315 CD1 ILE A 53 -9.774 -9.418 3.746 1.00 0.00 C ATOM 0 H ILE A 53 -8.178 -7.843 4.886 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.870 -5.749 3.143 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.589 -7.346 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.167 -8.295 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.490 -7.854 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.454 -6.645 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.697 -5.242 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.310 -5.625 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.679 -10.209 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.811 -9.260 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.514 -9.708 4.492 1.00 0.00 H new ATOM 327 N LEU A 54 -9.415 -5.101 6.376 1.00 0.00 N ATOM 328 CA LEU A 54 -9.644 -4.046 7.370 1.00 0.00 C ATOM 329 C LEU A 54 -8.545 -2.982 7.291 1.00 0.00 C ATOM 330 O LEU A 54 -8.849 -1.796 7.164 1.00 0.00 O ATOM 331 CB LEU A 54 -9.696 -4.627 8.801 1.00 0.00 C ATOM 332 CG LEU A 54 -10.691 -5.785 9.017 1.00 0.00 C ATOM 333 CD1 LEU A 54 -10.292 -6.626 10.242 1.00 0.00 C ATOM 334 CD2 LEU A 54 -12.152 -5.325 9.115 1.00 0.00 C ATOM 0 H LEU A 54 -9.379 -6.036 6.783 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.607 -3.587 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.698 -4.975 9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.948 -3.822 9.491 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.632 -6.409 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.008 -7.437 10.375 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.296 -7.042 10.089 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.289 -5.995 11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.797 -6.191 9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.262 -4.639 9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.436 -4.818 8.193 1.00 0.00 H new ATOM 346 N PHE A 55 -7.276 -3.419 7.332 1.00 0.00 N ATOM 347 CA PHE A 55 -6.092 -2.569 7.263 1.00 0.00 C ATOM 348 C PHE A 55 -6.092 -1.719 5.991 1.00 0.00 C ATOM 349 O PHE A 55 -5.930 -0.504 6.079 1.00 0.00 O ATOM 350 CB PHE A 55 -4.814 -3.415 7.389 1.00 0.00 C ATOM 351 CG PHE A 55 -3.579 -2.606 7.745 1.00 0.00 C ATOM 352 CD1 PHE A 55 -3.525 -1.932 8.981 1.00 0.00 C ATOM 353 CD2 PHE A 55 -2.481 -2.533 6.866 1.00 0.00 C ATOM 354 CE1 PHE A 55 -2.395 -1.172 9.328 1.00 0.00 C ATOM 355 CE2 PHE A 55 -1.346 -1.779 7.217 1.00 0.00 C ATOM 356 CZ PHE A 55 -1.305 -1.092 8.444 1.00 0.00 C ATOM 0 H PHE A 55 -7.046 -4.409 7.417 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.116 -1.877 8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.969 -4.180 8.150 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.638 -3.934 6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.357 -2.000 9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.510 -3.056 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.364 -0.650 10.273 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.504 -1.728 6.543 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.438 -0.504 8.706 1.00 0.00 H new ATOM 366 N GLY A 56 -6.340 -2.332 4.823 1.00 0.00 N ATOM 367 CA GLY A 56 -6.460 -1.619 3.552 1.00 0.00 C ATOM 368 C GLY A 56 -7.564 -0.554 3.555 1.00 0.00 C ATOM 369 O GLY A 56 -7.327 0.561 3.087 1.00 0.00 O ATOM 0 H GLY A 56 -6.463 -3.341 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.507 -1.144 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.661 -2.338 2.758 1.00 0.00 H new ATOM 373 N VAL A 57 -8.744 -0.877 4.104 1.00 0.00 N ATOM 374 CA VAL A 57 -9.893 0.042 4.203 1.00 0.00 C ATOM 375 C VAL A 57 -9.534 1.274 5.037 1.00 0.00 C ATOM 376 O VAL A 57 -9.563 2.398 4.523 1.00 0.00 O ATOM 377 CB VAL A 57 -11.138 -0.661 4.791 1.00 0.00 C ATOM 378 CG1 VAL A 57 -12.293 0.331 5.006 1.00 0.00 C ATOM 379 CG2 VAL A 57 -11.639 -1.808 3.900 1.00 0.00 C ATOM 0 H VAL A 57 -8.932 -1.798 4.499 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.139 0.364 3.191 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.821 -1.073 5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.153 -0.196 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.978 1.112 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.568 0.781 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.515 -2.269 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.906 -1.416 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.852 -2.554 3.791 1.00 0.00 H new ATOM 389 N ARG A 58 -9.190 1.068 6.321 1.00 0.00 N ATOM 390 CA ARG A 58 -8.815 2.167 7.222 1.00 0.00 C ATOM 391 C ARG A 58 -7.642 2.967 6.659 1.00 0.00 C ATOM 392 O ARG A 58 -7.671 4.187 6.746 1.00 0.00 O ATOM 393 CB ARG A 58 -8.551 1.676 8.656 1.00 0.00 C ATOM 394 CG ARG A 58 -7.337 0.743 8.764 1.00 0.00 C ATOM 395 CD ARG A 58 -7.134 0.194 10.173 1.00 0.00 C ATOM 396 NE ARG A 58 -6.206 1.037 10.941 1.00 0.00 N ATOM 397 CZ ARG A 58 -5.650 0.734 12.101 1.00 0.00 C ATOM 398 NH1 ARG A 58 -5.929 -0.388 12.726 1.00 0.00 N ATOM 399 NH2 ARG A 58 -4.792 1.568 12.632 1.00 0.00 N ATOM 0 H ARG A 58 -9.165 0.146 6.757 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.667 2.843 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.397 2.538 9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.435 1.155 9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.461 -0.088 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.441 1.283 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.093 0.141 10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.746 -0.823 10.118 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.968 1.944 10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.589 -1.049 12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.486 -0.597 13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.561 2.437 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.354 1.349 13.527 1.00 0.00 H new ATOM 413 N SER A 59 -6.656 2.298 6.046 1.00 0.00 N ATOM 414 CA SER A 59 -5.505 2.920 5.390 1.00 0.00 C ATOM 415 C SER A 59 -5.945 3.896 4.297 1.00 0.00 C ATOM 416 O SER A 59 -5.622 5.080 4.380 1.00 0.00 O ATOM 417 CB SER A 59 -4.579 1.832 4.834 1.00 0.00 C ATOM 418 OG SER A 59 -3.582 2.384 4.004 1.00 0.00 O ATOM 0 H SER A 59 -6.640 1.280 5.993 1.00 0.00 H new ATOM 0 HA SER A 59 -4.954 3.503 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.112 1.293 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.165 1.106 4.270 1.00 0.00 H new ATOM 0 HG SER A 59 -3.005 1.668 3.665 1.00 0.00 H new ATOM 424 N GLY A 60 -6.711 3.430 3.300 1.00 0.00 N ATOM 425 CA GLY A 60 -7.169 4.274 2.193 1.00 0.00 C ATOM 426 C GLY A 60 -7.999 5.474 2.662 1.00 0.00 C ATOM 427 O GLY A 60 -7.722 6.612 2.274 1.00 0.00 O ATOM 0 H GLY A 60 -7.028 2.462 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.304 4.633 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.765 3.672 1.507 1.00 0.00 H new ATOM 431 N ALA A 61 -8.988 5.234 3.533 1.00 0.00 N ATOM 432 CA ALA A 61 -9.814 6.297 4.104 1.00 0.00 C ATOM 433 C ALA A 61 -8.985 7.299 4.931 1.00 0.00 C ATOM 434 O ALA A 61 -9.114 8.510 4.726 1.00 0.00 O ATOM 435 CB ALA A 61 -10.936 5.669 4.938 1.00 0.00 C ATOM 0 H ALA A 61 -9.235 4.299 3.859 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.252 6.872 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.555 6.457 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.549 5.031 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.502 5.072 5.740 1.00 0.00 H new ATOM 441 N ALA A 62 -8.111 6.805 5.825 1.00 0.00 N ATOM 442 CA ALA A 62 -7.200 7.630 6.618 1.00 0.00 C ATOM 443 C ALA A 62 -6.257 8.455 5.734 1.00 0.00 C ATOM 444 O ALA A 62 -5.959 9.604 6.055 1.00 0.00 O ATOM 445 CB ALA A 62 -6.396 6.764 7.592 1.00 0.00 C ATOM 0 H ALA A 62 -8.021 5.807 6.015 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.811 8.329 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.724 7.397 8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.078 6.245 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.812 6.033 7.032 1.00 0.00 H new ATOM 451 N ALA A 63 -5.817 7.897 4.604 1.00 0.00 N ATOM 452 CA ALA A 63 -4.999 8.618 3.651 1.00 0.00 C ATOM 453 C ALA A 63 -5.755 9.796 3.017 1.00 0.00 C ATOM 454 O ALA A 63 -5.268 10.924 3.065 1.00 0.00 O ATOM 455 CB ALA A 63 -4.442 7.642 2.627 1.00 0.00 C ATOM 0 H ALA A 63 -6.022 6.935 4.333 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.157 9.073 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.826 8.181 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.836 6.890 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.265 7.153 2.105 1.00 0.00 H new ATOM 461 N LEU A 64 -6.960 9.568 2.474 1.00 0.00 N ATOM 462 CA LEU A 64 -7.790 10.632 1.892 1.00 0.00 C ATOM 463 C LEU A 64 -8.035 11.785 2.875 1.00 0.00 C ATOM 464 O LEU A 64 -7.805 12.945 2.528 1.00 0.00 O ATOM 465 CB LEU A 64 -9.097 10.024 1.356 1.00 0.00 C ATOM 466 CG LEU A 64 -10.188 11.066 0.999 1.00 0.00 C ATOM 467 CD1 LEU A 64 -10.819 10.751 -0.356 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.279 11.125 2.081 1.00 0.00 C ATOM 0 H LEU A 64 -7.386 8.642 2.426 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.250 11.079 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.871 9.433 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.497 9.338 2.102 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.702 12.040 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.581 11.496 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.050 10.770 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.276 9.762 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.029 11.865 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.751 10.147 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.831 11.405 3.034 1.00 0.00 H new ATOM 480 N THR A 65 -8.494 11.479 4.095 1.00 0.00 N ATOM 481 CA THR A 65 -8.734 12.513 5.111 1.00 0.00 C ATOM 482 C THR A 65 -7.449 13.301 5.431 1.00 0.00 C ATOM 483 O THR A 65 -7.503 14.525 5.518 1.00 0.00 O ATOM 484 CB THR A 65 -9.437 11.933 6.351 1.00 0.00 C ATOM 485 OG1 THR A 65 -9.838 12.936 7.252 1.00 0.00 O ATOM 486 CG2 THR A 65 -8.580 10.938 7.113 1.00 0.00 C ATOM 0 H THR A 65 -8.706 10.530 4.402 1.00 0.00 H new ATOM 0 HA THR A 65 -9.428 13.244 4.697 1.00 0.00 H new ATOM 0 HB THR A 65 -10.310 11.417 5.952 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.281 12.525 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.133 10.567 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.323 10.104 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.667 11.428 7.451 1.00 0.00 H new ATOM 494 N LEU A 66 -6.275 12.648 5.509 1.00 0.00 N ATOM 495 CA LEU A 66 -4.999 13.349 5.716 1.00 0.00 C ATOM 496 C LEU A 66 -4.678 14.307 4.553 1.00 0.00 C ATOM 497 O LEU A 66 -4.236 15.432 4.791 1.00 0.00 O ATOM 498 CB LEU A 66 -3.863 12.342 6.049 1.00 0.00 C ATOM 499 CG LEU A 66 -2.817 12.060 4.942 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.723 13.139 4.905 1.00 0.00 C ATOM 501 CD2 LEU A 66 -2.172 10.673 5.064 1.00 0.00 C ATOM 0 H LEU A 66 -6.186 11.635 5.431 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.091 13.994 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.333 12.710 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.323 11.394 6.328 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.373 12.084 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.008 12.906 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.177 14.110 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.207 13.167 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.449 10.536 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.666 10.591 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.943 9.906 4.993 1.00 0.00 H new ATOM 513 N ILE A 67 -4.917 13.875 3.304 1.00 0.00 N ATOM 514 CA ILE A 67 -4.628 14.658 2.098 1.00 0.00 C ATOM 515 C ILE A 67 -5.385 15.983 2.163 1.00 0.00 C ATOM 516 O ILE A 67 -4.764 17.046 2.111 1.00 0.00 O ATOM 517 CB ILE A 67 -4.975 13.860 0.821 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.028 12.667 0.595 1.00 0.00 C ATOM 519 CG2 ILE A 67 -4.938 14.740 -0.440 1.00 0.00 C ATOM 520 CD1 ILE A 67 -4.718 11.563 -0.217 1.00 0.00 C ATOM 0 H ILE A 67 -5.321 12.960 3.104 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.560 14.871 2.053 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.988 13.492 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.133 13.003 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.704 12.268 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.188 14.136 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.660 15.550 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.939 15.158 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.027 10.732 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.599 11.212 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.019 11.959 -1.187 1.00 0.00 H new ATOM 532 N VAL A 68 -6.716 15.925 2.324 1.00 0.00 N ATOM 533 CA VAL A 68 -7.534 17.137 2.459 1.00 0.00 C ATOM 534 C VAL A 68 -7.115 17.981 3.663 1.00 0.00 C ATOM 535 O VAL A 68 -6.950 19.189 3.507 1.00 0.00 O ATOM 536 CB VAL A 68 -9.049 16.869 2.449 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.488 16.256 1.111 1.00 0.00 C ATOM 538 CG2 VAL A 68 -9.527 15.970 3.591 1.00 0.00 C ATOM 0 H VAL A 68 -7.246 15.054 2.364 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.334 17.721 1.560 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.513 17.845 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.563 16.076 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.249 16.944 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.965 15.313 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.605 15.828 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.028 15.003 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.289 16.438 4.546 1.00 0.00 H new ATOM 548 N VAL A 69 -6.857 17.370 4.830 1.00 0.00 N ATOM 549 CA VAL A 69 -6.376 18.087 6.023 1.00 0.00 C ATOM 550 C VAL A 69 -5.128 18.908 5.696 1.00 0.00 C ATOM 551 O VAL A 69 -5.066 20.085 6.048 1.00 0.00 O ATOM 552 CB VAL A 69 -6.127 17.118 7.198 1.00 0.00 C ATOM 553 CG1 VAL A 69 -5.345 17.775 8.346 1.00 0.00 C ATOM 554 CG2 VAL A 69 -7.449 16.585 7.766 1.00 0.00 C ATOM 0 H VAL A 69 -6.975 16.367 4.974 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.156 18.780 6.338 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.534 16.301 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.197 17.050 9.147 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.376 18.114 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.907 18.628 8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.242 15.905 8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.053 17.418 8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.992 16.053 6.985 1.00 0.00 H new ATOM 564 N TRP A 70 -4.147 18.340 4.992 1.00 0.00 N ATOM 565 CA TRP A 70 -2.973 19.098 4.570 1.00 0.00 C ATOM 566 C TRP A 70 -3.247 20.104 3.433 1.00 0.00 C ATOM 567 O TRP A 70 -2.571 21.127 3.374 1.00 0.00 O ATOM 568 CB TRP A 70 -1.845 18.133 4.217 1.00 0.00 C ATOM 569 CG TRP A 70 -0.632 18.817 3.678 1.00 0.00 C ATOM 570 CD1 TRP A 70 0.206 19.611 4.379 1.00 0.00 C ATOM 571 CD2 TRP A 70 -0.157 18.846 2.302 1.00 0.00 C ATOM 572 NE1 TRP A 70 1.178 20.110 3.538 1.00 0.00 N ATOM 573 CE2 TRP A 70 1.013 19.660 2.244 1.00 0.00 C ATOM 574 CE3 TRP A 70 -0.606 18.265 1.100 1.00 0.00 C ATOM 575 CZ2 TRP A 70 1.729 19.856 1.055 1.00 0.00 C ATOM 576 CZ3 TRP A 70 0.087 18.479 -0.104 1.00 0.00 C ATOM 577 CH2 TRP A 70 1.258 19.257 -0.127 1.00 0.00 C ATOM 0 H TRP A 70 -4.144 17.361 4.704 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.672 19.719 5.414 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -1.569 17.566 5.106 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.207 17.415 3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 70 0.127 19.822 5.435 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.927 20.735 3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.493 17.648 1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 2.627 20.456 1.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.283 18.042 -1.020 1.00 0.00 H new ATOM 0 HH2 TRP A 70 1.796 19.395 -1.053 1.00 0.00 H new ATOM 588 N ILE A 71 -4.245 19.889 2.570 1.00 0.00 N ATOM 589 CA ILE A 71 -4.635 20.853 1.522 1.00 0.00 C ATOM 590 C ILE A 71 -5.240 22.142 2.111 1.00 0.00 C ATOM 591 O ILE A 71 -4.972 23.227 1.592 1.00 0.00 O ATOM 592 CB ILE A 71 -5.586 20.172 0.510 1.00 0.00 C ATOM 593 CG1 ILE A 71 -4.790 19.207 -0.395 1.00 0.00 C ATOM 594 CG2 ILE A 71 -6.361 21.177 -0.365 1.00 0.00 C ATOM 595 CD1 ILE A 71 -5.665 18.093 -0.978 1.00 0.00 C ATOM 0 H ILE A 71 -4.810 19.040 2.574 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.735 21.164 0.992 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.323 19.623 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.334 19.770 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.977 18.763 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.010 20.635 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.966 21.823 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.656 21.784 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.056 17.443 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.100 17.510 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.463 18.533 -1.577 1.00 0.00 H new ATOM 607 N THR A 72 -6.041 22.033 3.180 1.00 0.00 N ATOM 608 CA THR A 72 -6.699 23.174 3.846 1.00 0.00 C ATOM 609 C THR A 72 -5.994 23.572 5.147 1.00 0.00 C ATOM 610 O THR A 72 -5.441 24.668 5.232 1.00 0.00 O ATOM 611 CB THR A 72 -8.216 22.949 4.036 1.00 0.00 C ATOM 612 OG1 THR A 72 -8.722 23.799 5.038 1.00 0.00 O ATOM 613 CG2 THR A 72 -8.630 21.518 4.389 1.00 0.00 C ATOM 0 H THR A 72 -6.256 21.136 3.616 1.00 0.00 H new ATOM 0 HA THR A 72 -6.601 24.026 3.173 1.00 0.00 H new ATOM 0 HB THR A 72 -8.637 23.171 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.684 23.644 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.713 21.470 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.316 20.842 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.156 21.222 5.325 1.00 0.00 H new ATOM 621 N SER A 73 -5.984 22.693 6.154 1.00 0.00 N ATOM 622 CA SER A 73 -5.410 22.955 7.478 1.00 0.00 C ATOM 623 C SER A 73 -3.881 23.004 7.470 1.00 0.00 C ATOM 624 O SER A 73 -3.300 23.595 8.377 1.00 0.00 O ATOM 625 CB SER A 73 -5.836 21.864 8.465 1.00 0.00 C ATOM 626 OG SER A 73 -5.833 22.385 9.779 1.00 0.00 O ATOM 0 H SER A 73 -6.384 21.758 6.070 1.00 0.00 H new ATOM 0 HA SER A 73 -5.786 23.933 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.831 21.498 8.211 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.157 21.014 8.399 1.00 0.00 H new ATOM 0 HG SER A 73 -6.107 21.686 10.409 1.00 0.00 H new ATOM 632 N ARG A 74 -3.242 22.362 6.479 1.00 0.00 N ATOM 633 CA ARG A 74 -1.793 22.378 6.214 1.00 0.00 C ATOM 634 C ARG A 74 -0.943 22.027 7.448 1.00 0.00 C ATOM 635 O ARG A 74 0.090 22.649 7.681 1.00 0.00 O ATOM 636 CB ARG A 74 -1.395 23.733 5.595 1.00 0.00 C ATOM 637 CG ARG A 74 -2.168 24.164 4.330 1.00 0.00 C ATOM 638 CD ARG A 74 -1.315 24.086 3.056 1.00 0.00 C ATOM 639 NE ARG A 74 -1.751 25.078 2.058 1.00 0.00 N ATOM 640 CZ ARG A 74 -1.266 25.230 0.833 1.00 0.00 C ATOM 641 NH1 ARG A 74 -0.398 24.379 0.336 1.00 0.00 N ATOM 642 NH2 ARG A 74 -1.643 26.242 0.084 1.00 0.00 N ATOM 0 H ARG A 74 -3.748 21.787 5.805 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.579 21.586 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.523 24.506 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.333 23.698 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.047 23.530 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.527 25.185 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.268 24.255 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.384 23.085 2.631 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.501 25.711 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.086 23.585 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.036 24.513 -0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.315 26.920 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.264 26.349 -0.857 1.00 0.00 H new ATOM 656 N SER A 75 -1.365 21.002 8.205 1.00 0.00 N ATOM 657 CA SER A 75 -0.793 20.583 9.499 1.00 0.00 C ATOM 658 C SER A 75 0.741 20.550 9.503 1.00 0.00 C ATOM 659 O SER A 75 1.376 21.341 10.198 1.00 0.00 O ATOM 660 CB SER A 75 -1.381 19.225 9.916 1.00 0.00 C ATOM 661 OG SER A 75 -0.769 18.746 11.098 1.00 0.00 O ATOM 0 H SER A 75 -2.149 20.415 7.921 1.00 0.00 H new ATOM 0 HA SER A 75 -1.073 21.339 10.233 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.455 19.323 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.241 18.502 9.112 1.00 0.00 H new ATOM 0 HG SER A 75 -1.162 17.882 11.343 1.00 0.00 H new ATOM 667 N ARG A 76 1.333 19.651 8.705 1.00 0.00 N ATOM 668 CA ARG A 76 2.779 19.538 8.498 1.00 0.00 C ATOM 669 C ARG A 76 3.100 19.685 7.020 1.00 0.00 C ATOM 670 O ARG A 76 2.508 19.014 6.181 1.00 0.00 O ATOM 671 CB ARG A 76 3.296 18.194 9.031 1.00 0.00 C ATOM 672 CG ARG A 76 3.761 18.319 10.485 1.00 0.00 C ATOM 673 CD ARG A 76 4.366 16.988 10.937 1.00 0.00 C ATOM 674 NE ARG A 76 4.772 17.033 12.348 1.00 0.00 N ATOM 675 CZ ARG A 76 5.294 16.025 13.034 1.00 0.00 C ATOM 676 NH1 ARG A 76 5.539 14.862 12.474 1.00 0.00 N ATOM 677 NH2 ARG A 76 5.575 16.167 14.306 1.00 0.00 N ATOM 0 H ARG A 76 0.801 18.963 8.171 1.00 0.00 H new ATOM 0 HA ARG A 76 3.278 20.335 9.049 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.508 17.444 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.122 17.847 8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.498 19.117 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.921 18.587 11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.639 16.189 10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.230 16.750 10.316 1.00 0.00 H new ATOM 0 HE ARG A 76 4.641 17.915 12.843 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.327 14.717 11.487 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.941 14.105 13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.392 17.055 14.773 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.976 15.389 14.830 1.00 0.00 H new ATOM 691 N LYS A 77 4.065 20.548 6.698 1.00 0.00 N ATOM 692 CA LYS A 77 4.580 20.765 5.340 1.00 0.00 C ATOM 693 C LYS A 77 5.521 19.621 4.937 1.00 0.00 C ATOM 694 O LYS A 77 6.705 19.838 4.697 1.00 0.00 O ATOM 695 CB LYS A 77 5.264 22.143 5.253 1.00 0.00 C ATOM 696 CG LYS A 77 4.382 23.329 5.689 1.00 0.00 C ATOM 697 CD LYS A 77 3.236 23.688 4.732 1.00 0.00 C ATOM 698 CE LYS A 77 3.716 24.446 3.484 1.00 0.00 C ATOM 699 NZ LYS A 77 3.860 23.576 2.295 1.00 0.00 N ATOM 0 H LYS A 77 4.525 21.134 7.394 1.00 0.00 H new ATOM 0 HA LYS A 77 3.753 20.763 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.161 22.128 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.589 22.308 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.958 23.103 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.018 24.206 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.727 22.775 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.504 24.297 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.010 25.246 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.675 24.918 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.513 24.019 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.237 22.651 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.931 23.446 1.845 1.00 0.00 H new ATOM 713 N THR A 78 4.979 18.402 4.875 1.00 0.00 N ATOM 714 CA THR A 78 5.680 17.184 4.452 1.00 0.00 C ATOM 715 C THR A 78 6.371 17.368 3.095 1.00 0.00 C ATOM 716 O THR A 78 5.864 18.111 2.248 1.00 0.00 O ATOM 717 CB THR A 78 4.717 15.980 4.388 1.00 0.00 C ATOM 718 OG1 THR A 78 3.372 16.398 4.318 1.00 0.00 O ATOM 719 CG2 THR A 78 4.847 15.095 5.626 1.00 0.00 C ATOM 0 H THR A 78 4.006 18.228 5.127 1.00 0.00 H new ATOM 0 HA THR A 78 6.446 16.985 5.202 1.00 0.00 H new ATOM 0 HB THR A 78 4.990 15.424 3.491 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.784 15.615 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.155 14.257 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.867 14.718 5.698 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.612 15.678 6.516 1.00 0.00 H new ATOM 727 N PRO A 79 7.507 16.685 2.860 1.00 0.00 N ATOM 728 CA PRO A 79 8.278 16.846 1.634 1.00 0.00 C ATOM 729 C PRO A 79 7.488 16.335 0.425 1.00 0.00 C ATOM 730 O PRO A 79 6.702 15.389 0.529 1.00 0.00 O ATOM 731 CB PRO A 79 9.578 16.062 1.858 1.00 0.00 C ATOM 732 CG PRO A 79 9.185 15.004 2.882 1.00 0.00 C ATOM 733 CD PRO A 79 8.120 15.691 3.730 1.00 0.00 C ATOM 0 HA PRO A 79 8.494 17.892 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.939 15.611 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.375 16.705 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.795 14.107 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.039 14.696 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.381 14.974 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.561 16.159 4.610 1.00 0.00 H new ATOM 741 N ILE A 80 7.759 16.924 -0.745 1.00 0.00 N ATOM 742 CA ILE A 80 7.146 16.549 -2.029 1.00 0.00 C ATOM 743 C ILE A 80 7.172 15.031 -2.255 1.00 0.00 C ATOM 744 O ILE A 80 6.142 14.446 -2.579 1.00 0.00 O ATOM 745 CB ILE A 80 7.792 17.317 -3.210 1.00 0.00 C ATOM 746 CG1 ILE A 80 9.342 17.307 -3.165 1.00 0.00 C ATOM 747 CG2 ILE A 80 7.264 18.762 -3.236 1.00 0.00 C ATOM 748 CD1 ILE A 80 10.022 17.800 -4.449 1.00 0.00 C ATOM 0 H ILE A 80 8.425 17.692 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 80 6.097 16.843 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 80 7.508 16.800 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.672 17.929 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.680 16.292 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.719 19.301 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.181 18.752 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.517 19.259 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.104 17.758 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.727 17.165 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.719 18.828 -4.650 1.00 0.00 H new ATOM 760 N PHE A 81 8.315 14.391 -1.983 1.00 0.00 N ATOM 761 CA PHE A 81 8.515 12.948 -2.094 1.00 0.00 C ATOM 762 C PHE A 81 7.504 12.141 -1.275 1.00 0.00 C ATOM 763 O PHE A 81 6.940 11.181 -1.797 1.00 0.00 O ATOM 764 CB PHE A 81 9.957 12.595 -1.687 1.00 0.00 C ATOM 765 CG PHE A 81 10.898 12.454 -2.865 1.00 0.00 C ATOM 766 CD1 PHE A 81 10.696 11.403 -3.780 1.00 0.00 C ATOM 767 CD2 PHE A 81 11.972 13.347 -3.051 1.00 0.00 C ATOM 768 CE1 PHE A 81 11.554 11.248 -4.882 1.00 0.00 C ATOM 769 CE2 PHE A 81 12.838 13.184 -4.148 1.00 0.00 C ATOM 770 CZ PHE A 81 12.626 12.137 -5.064 1.00 0.00 C ATOM 0 H PHE A 81 9.152 14.883 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 81 8.349 12.673 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 81 10.337 13.367 -1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 81 9.949 11.662 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.878 10.713 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.130 14.155 -2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.389 10.447 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.666 13.863 -4.287 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.289 12.017 -5.908 1.00 0.00 H new ATOM 780 N ILE A 82 7.257 12.537 -0.019 1.00 0.00 N ATOM 781 CA ILE A 82 6.257 11.905 0.847 1.00 0.00 C ATOM 782 C ILE A 82 4.878 12.043 0.198 1.00 0.00 C ATOM 783 O ILE A 82 4.204 11.035 -0.004 1.00 0.00 O ATOM 784 CB ILE A 82 6.323 12.492 2.282 1.00 0.00 C ATOM 785 CG1 ILE A 82 7.322 11.761 3.212 1.00 0.00 C ATOM 786 CG2 ILE A 82 4.961 12.497 2.999 1.00 0.00 C ATOM 787 CD1 ILE A 82 8.678 11.358 2.612 1.00 0.00 C ATOM 0 H ILE A 82 7.750 13.311 0.426 1.00 0.00 H new ATOM 0 HA ILE A 82 6.466 10.841 0.954 1.00 0.00 H new ATOM 0 HB ILE A 82 6.663 13.513 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.511 12.401 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.837 10.859 3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.077 12.920 3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.252 13.099 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.588 11.476 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.277 10.856 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.518 10.683 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.202 12.249 2.267 1.00 0.00 H new ATOM 799 N ILE A 83 4.465 13.269 -0.155 1.00 0.00 N ATOM 800 CA ILE A 83 3.129 13.517 -0.712 1.00 0.00 C ATOM 801 C ILE A 83 2.908 12.737 -2.017 1.00 0.00 C ATOM 802 O ILE A 83 1.887 12.063 -2.180 1.00 0.00 O ATOM 803 CB ILE A 83 2.878 15.024 -0.928 1.00 0.00 C ATOM 804 CG1 ILE A 83 3.096 15.883 0.337 1.00 0.00 C ATOM 805 CG2 ILE A 83 1.450 15.229 -1.469 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.214 15.511 1.535 1.00 0.00 C ATOM 0 H ILE A 83 5.040 14.106 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 83 2.406 13.157 0.020 1.00 0.00 H new ATOM 0 HB ILE A 83 3.619 15.366 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.141 15.803 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.916 16.928 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.268 16.293 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.341 14.701 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.729 14.838 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.441 16.170 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.164 15.620 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.408 14.478 1.823 1.00 0.00 H new ATOM 818 N ASN A 84 3.880 12.808 -2.935 1.00 0.00 N ATOM 819 CA ASN A 84 3.860 12.072 -4.194 1.00 0.00 C ATOM 820 C ASN A 84 3.749 10.560 -3.963 1.00 0.00 C ATOM 821 O ASN A 84 2.921 9.920 -4.617 1.00 0.00 O ATOM 822 CB ASN A 84 5.104 12.426 -5.029 1.00 0.00 C ATOM 823 CG ASN A 84 5.013 13.782 -5.724 1.00 0.00 C ATOM 824 OD1 ASN A 84 5.862 14.645 -5.569 1.00 0.00 O ATOM 825 ND2 ASN A 84 3.995 13.986 -6.542 1.00 0.00 N ATOM 0 H ASN A 84 4.711 13.387 -2.817 1.00 0.00 H new ATOM 0 HA ASN A 84 2.972 12.370 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.980 12.419 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.258 11.652 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.916 14.868 -7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.288 13.261 -6.668 1.00 0.00 H new ATOM 832 N GLN A 85 4.528 10.004 -3.019 1.00 0.00 N ATOM 833 CA GLN A 85 4.381 8.609 -2.604 1.00 0.00 C ATOM 834 C GLN A 85 2.960 8.307 -2.140 1.00 0.00 C ATOM 835 O GLN A 85 2.376 7.359 -2.658 1.00 0.00 O ATOM 836 CB GLN A 85 5.373 8.216 -1.499 1.00 0.00 C ATOM 837 CG GLN A 85 6.691 7.675 -2.065 1.00 0.00 C ATOM 838 CD GLN A 85 7.524 6.941 -1.014 1.00 0.00 C ATOM 839 OE1 GLN A 85 7.131 6.728 0.122 1.00 0.00 O ATOM 840 NE2 GLN A 85 8.714 6.502 -1.371 1.00 0.00 N ATOM 0 H GLN A 85 5.268 10.508 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 85 4.603 8.012 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.578 9.084 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.919 7.461 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.476 6.997 -2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.273 8.501 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.058 6.671 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.292 5.993 -0.702 1.00 0.00 H new ATOM 849 N VAL A 86 2.400 9.099 -1.210 1.00 0.00 N ATOM 850 CA VAL A 86 1.035 8.899 -0.693 1.00 0.00 C ATOM 851 C VAL A 86 0.050 8.765 -1.856 1.00 0.00 C ATOM 852 O VAL A 86 -0.641 7.754 -1.943 1.00 0.00 O ATOM 853 CB VAL A 86 0.583 10.016 0.281 1.00 0.00 C ATOM 854 CG1 VAL A 86 -0.754 9.667 0.951 1.00 0.00 C ATOM 855 CG2 VAL A 86 1.596 10.308 1.401 1.00 0.00 C ATOM 0 H VAL A 86 2.881 9.897 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 86 1.046 7.976 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 86 0.490 10.903 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.043 10.471 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.522 9.542 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.648 8.740 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.211 11.100 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.754 9.406 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.542 10.624 0.962 1.00 0.00 H new ATOM 865 N SER A 87 0.020 9.744 -2.771 1.00 0.00 N ATOM 866 CA SER A 87 -0.891 9.743 -3.922 1.00 0.00 C ATOM 867 C SER A 87 -0.770 8.467 -4.768 1.00 0.00 C ATOM 868 O SER A 87 -1.727 7.702 -4.851 1.00 0.00 O ATOM 869 CB SER A 87 -0.691 11.004 -4.766 1.00 0.00 C ATOM 870 OG SER A 87 -1.755 11.114 -5.689 1.00 0.00 O ATOM 0 H SER A 87 0.629 10.561 -2.733 1.00 0.00 H new ATOM 0 HA SER A 87 -1.909 9.751 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.657 11.885 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.262 10.957 -5.294 1.00 0.00 H new ATOM 0 HG SER A 87 -1.635 11.921 -6.232 1.00 0.00 H new ATOM 876 N LEU A 88 0.409 8.197 -5.348 1.00 0.00 N ATOM 877 CA LEU A 88 0.683 6.988 -6.142 1.00 0.00 C ATOM 878 C LEU A 88 0.346 5.692 -5.389 1.00 0.00 C ATOM 879 O LEU A 88 -0.363 4.830 -5.916 1.00 0.00 O ATOM 880 CB LEU A 88 2.165 6.996 -6.559 1.00 0.00 C ATOM 881 CG LEU A 88 2.409 7.633 -7.940 1.00 0.00 C ATOM 882 CD1 LEU A 88 3.849 8.146 -8.015 1.00 0.00 C ATOM 883 CD2 LEU A 88 2.149 6.627 -9.075 1.00 0.00 C ATOM 0 H LEU A 88 1.212 8.822 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 88 0.038 7.008 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.742 7.538 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.537 5.972 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 88 1.714 8.463 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.024 8.597 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.011 8.892 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.539 7.315 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.330 7.108 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.818 5.773 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.115 6.286 -9.029 1.00 0.00 H new ATOM 895 N PHE A 89 0.849 5.549 -4.158 1.00 0.00 N ATOM 896 CA PHE A 89 0.657 4.362 -3.327 1.00 0.00 C ATOM 897 C PHE A 89 -0.824 4.075 -3.062 1.00 0.00 C ATOM 898 O PHE A 89 -1.266 2.928 -3.169 1.00 0.00 O ATOM 899 CB PHE A 89 1.444 4.527 -2.022 1.00 0.00 C ATOM 900 CG PHE A 89 1.536 3.255 -1.210 1.00 0.00 C ATOM 901 CD1 PHE A 89 2.270 2.167 -1.716 1.00 0.00 C ATOM 902 CD2 PHE A 89 0.887 3.151 0.034 1.00 0.00 C ATOM 903 CE1 PHE A 89 2.346 0.970 -0.986 1.00 0.00 C ATOM 904 CE2 PHE A 89 0.970 1.955 0.768 1.00 0.00 C ATOM 905 CZ PHE A 89 1.697 0.864 0.256 1.00 0.00 C ATOM 0 H PHE A 89 1.411 6.270 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 89 1.038 3.495 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.451 4.874 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.972 5.302 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.775 2.252 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.327 3.988 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.903 0.132 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.476 1.873 1.725 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.756 -0.056 0.818 1.00 0.00 H new ATOM 915 N LEU A 90 -1.604 5.128 -2.790 1.00 0.00 N ATOM 916 CA LEU A 90 -3.055 5.057 -2.625 1.00 0.00 C ATOM 917 C LEU A 90 -3.725 4.437 -3.851 1.00 0.00 C ATOM 918 O LEU A 90 -4.607 3.599 -3.685 1.00 0.00 O ATOM 919 CB LEU A 90 -3.612 6.466 -2.363 1.00 0.00 C ATOM 920 CG LEU A 90 -3.808 6.842 -0.888 1.00 0.00 C ATOM 921 CD1 LEU A 90 -2.668 6.422 0.060 1.00 0.00 C ATOM 922 CD2 LEU A 90 -4.039 8.354 -0.858 1.00 0.00 C ATOM 0 H LEU A 90 -1.233 6.071 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.275 4.416 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.939 7.193 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.571 6.558 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.659 6.283 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.906 6.735 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.552 5.339 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.738 6.895 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.185 8.679 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.172 8.863 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.924 8.599 -1.445 1.00 0.00 H new ATOM 934 N ILE A 91 -3.304 4.808 -5.068 1.00 0.00 N ATOM 935 CA ILE A 91 -3.870 4.253 -6.305 1.00 0.00 C ATOM 936 C ILE A 91 -3.575 2.757 -6.424 1.00 0.00 C ATOM 937 O ILE A 91 -4.477 1.983 -6.758 1.00 0.00 O ATOM 938 CB ILE A 91 -3.345 4.971 -7.568 1.00 0.00 C ATOM 939 CG1 ILE A 91 -3.325 6.509 -7.492 1.00 0.00 C ATOM 940 CG2 ILE A 91 -4.162 4.558 -8.808 1.00 0.00 C ATOM 941 CD1 ILE A 91 -4.572 7.160 -6.869 1.00 0.00 C ATOM 0 H ILE A 91 -2.567 5.496 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.947 4.412 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.306 4.649 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.451 6.815 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.197 6.903 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.776 5.075 -9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.080 3.481 -8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.208 4.826 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.453 8.243 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.452 6.894 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.695 6.805 -5.846 1.00 0.00 H new ATOM 953 N ILE A 92 -2.326 2.350 -6.163 1.00 0.00 N ATOM 954 CA ILE A 92 -1.904 0.945 -6.213 1.00 0.00 C ATOM 955 C ILE A 92 -2.744 0.122 -5.232 1.00 0.00 C ATOM 956 O ILE A 92 -3.299 -0.906 -5.623 1.00 0.00 O ATOM 957 CB ILE A 92 -0.387 0.806 -5.942 1.00 0.00 C ATOM 958 CG1 ILE A 92 0.446 1.585 -6.990 1.00 0.00 C ATOM 959 CG2 ILE A 92 0.035 -0.679 -5.911 1.00 0.00 C ATOM 960 CD1 ILE A 92 1.827 2.002 -6.467 1.00 0.00 C ATOM 0 H ILE A 92 -1.575 2.992 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.075 0.555 -7.217 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.188 1.241 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.572 0.967 -7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.105 2.475 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.106 -0.749 -5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.510 -1.196 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.192 -1.142 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.363 2.544 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.707 2.645 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.394 1.114 -6.187 1.00 0.00 H new ATOM 972 N LEU A 93 -2.907 0.618 -3.997 1.00 0.00 N ATOM 973 CA LEU A 93 -3.813 0.054 -2.999 1.00 0.00 C ATOM 974 C LEU A 93 -5.260 -0.012 -3.514 1.00 0.00 C ATOM 975 O LEU A 93 -5.857 -1.083 -3.462 1.00 0.00 O ATOM 976 CB LEU A 93 -3.661 0.846 -1.682 1.00 0.00 C ATOM 977 CG LEU A 93 -4.772 0.609 -0.639 1.00 0.00 C ATOM 978 CD1 LEU A 93 -4.828 -0.851 -0.178 1.00 0.00 C ATOM 979 CD2 LEU A 93 -4.568 1.499 0.594 1.00 0.00 C ATOM 0 H LEU A 93 -2.401 1.438 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.543 -0.983 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.702 0.590 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.628 1.910 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.711 0.861 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.625 -0.970 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.024 -1.496 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.875 -1.127 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.365 1.312 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.605 1.272 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.589 2.547 0.294 1.00 0.00 H new ATOM 991 N HIS A 94 -5.826 1.094 -4.012 1.00 0.00 N ATOM 992 CA HIS A 94 -7.216 1.159 -4.481 1.00 0.00 C ATOM 993 C HIS A 94 -7.480 0.170 -5.627 1.00 0.00 C ATOM 994 O HIS A 94 -8.445 -0.596 -5.575 1.00 0.00 O ATOM 995 CB HIS A 94 -7.562 2.602 -4.899 1.00 0.00 C ATOM 996 CG HIS A 94 -9.006 2.988 -4.687 1.00 0.00 C ATOM 997 ND1 HIS A 94 -9.422 4.141 -4.060 1.00 0.00 N ATOM 998 CD2 HIS A 94 -10.126 2.282 -5.041 1.00 0.00 C ATOM 999 CE1 HIS A 94 -10.766 4.124 -4.027 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -11.238 3.014 -4.615 1.00 0.00 N ATOM 0 H HIS A 94 -5.326 1.979 -4.102 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.866 0.866 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.929 3.290 -4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.316 2.730 -5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.146 1.333 -5.556 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.380 4.896 -3.588 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.218 2.755 -4.729 1.00 0.00 H new ATOM 1008 N SER A 95 -6.609 0.163 -6.644 1.00 0.00 N ATOM 1009 CA SER A 95 -6.679 -0.750 -7.788 1.00 0.00 C ATOM 1010 C SER A 95 -6.552 -2.208 -7.342 1.00 0.00 C ATOM 1011 O SER A 95 -7.384 -3.035 -7.719 1.00 0.00 O ATOM 1012 CB SER A 95 -5.584 -0.437 -8.816 1.00 0.00 C ATOM 1013 OG SER A 95 -5.821 0.797 -9.465 1.00 0.00 O ATOM 0 H SER A 95 -5.819 0.807 -6.694 1.00 0.00 H new ATOM 0 HA SER A 95 -7.654 -0.605 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.614 -0.408 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.539 -1.236 -9.556 1.00 0.00 H new ATOM 0 HG SER A 95 -5.106 0.969 -10.112 1.00 0.00 H new ATOM 1019 N ALA A 96 -5.539 -2.524 -6.522 1.00 0.00 N ATOM 1020 CA ALA A 96 -5.341 -3.868 -5.989 1.00 0.00 C ATOM 1021 C ALA A 96 -6.533 -4.324 -5.139 1.00 0.00 C ATOM 1022 O ALA A 96 -6.984 -5.456 -5.309 1.00 0.00 O ATOM 1023 CB ALA A 96 -4.032 -3.921 -5.195 1.00 0.00 C ATOM 0 H ALA A 96 -4.837 -1.851 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.272 -4.564 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.887 -4.926 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.199 -3.666 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.077 -3.209 -4.371 1.00 0.00 H new ATOM 1029 N LEU A 97 -7.076 -3.454 -4.275 1.00 0.00 N ATOM 1030 CA LEU A 97 -8.293 -3.718 -3.508 1.00 0.00 C ATOM 1031 C LEU A 97 -9.476 -4.024 -4.424 1.00 0.00 C ATOM 1032 O LEU A 97 -10.120 -5.052 -4.244 1.00 0.00 O ATOM 1033 CB LEU A 97 -8.636 -2.549 -2.564 1.00 0.00 C ATOM 1034 CG LEU A 97 -7.997 -2.655 -1.170 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -8.379 -1.422 -0.347 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -8.445 -3.922 -0.423 1.00 0.00 C ATOM 0 H LEU A 97 -6.673 -2.535 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.096 -4.599 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.315 -1.616 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.719 -2.493 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.916 -2.712 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.929 -1.492 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.017 -0.524 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.463 -1.371 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.968 -3.954 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.528 -3.908 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.157 -4.803 -0.996 1.00 0.00 H new ATOM 1048 N TYR A 98 -9.768 -3.167 -5.406 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.907 -3.390 -6.296 1.00 0.00 C ATOM 1050 C TYR A 98 -10.745 -4.691 -7.098 1.00 0.00 C ATOM 1051 O TYR A 98 -11.650 -5.526 -7.112 1.00 0.00 O ATOM 1052 CB TYR A 98 -11.115 -2.170 -7.201 1.00 0.00 C ATOM 1053 CG TYR A 98 -12.569 -1.933 -7.554 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -13.170 -2.626 -8.623 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -13.328 -1.020 -6.795 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -14.521 -2.392 -8.945 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -14.678 -0.781 -7.113 1.00 0.00 C ATOM 1058 CZ TYR A 98 -15.277 -1.465 -8.193 1.00 0.00 C ATOM 1059 OH TYR A 98 -16.580 -1.229 -8.507 1.00 0.00 O ATOM 0 H TYR A 98 -9.236 -2.320 -5.603 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.806 -3.512 -5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.719 -1.285 -6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.542 -2.304 -8.118 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.594 -3.337 -9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.871 -0.501 -5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.979 -2.921 -9.767 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -15.254 -0.076 -6.532 1.00 0.00 H new ATOM 0 HH TYR A 98 -16.950 -0.565 -7.889 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.577 -4.902 -7.718 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.272 -6.114 -8.477 1.00 0.00 C ATOM 1071 C PHE A 99 -9.387 -7.381 -7.618 1.00 0.00 C ATOM 1072 O PHE A 99 -10.127 -8.303 -7.976 1.00 0.00 O ATOM 1073 CB PHE A 99 -7.876 -5.991 -9.103 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.426 -7.254 -9.812 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.912 -7.554 -11.098 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -6.560 -8.156 -9.163 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.536 -8.752 -11.732 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -6.181 -9.351 -9.798 1.00 0.00 C ATOM 1079 CZ PHE A 99 -6.672 -9.650 -11.082 1.00 0.00 C ATOM 0 H PHE A 99 -8.812 -4.227 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.013 -6.213 -9.271 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.875 -5.164 -9.813 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.156 -5.743 -8.323 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.575 -6.864 -11.599 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.187 -7.929 -8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.911 -8.982 -12.718 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.513 -10.039 -9.301 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.385 -10.570 -11.569 1.00 0.00 H new ATOM 1089 N LYS A 100 -8.684 -7.430 -6.473 1.00 0.00 N ATOM 1090 CA LYS A 100 -8.736 -8.586 -5.571 1.00 0.00 C ATOM 1091 C LYS A 100 -10.150 -8.827 -5.037 1.00 0.00 C ATOM 1092 O LYS A 100 -10.557 -9.976 -4.912 1.00 0.00 O ATOM 1093 CB LYS A 100 -7.675 -8.475 -4.458 1.00 0.00 C ATOM 1094 CG LYS A 100 -8.138 -7.664 -3.240 1.00 0.00 C ATOM 1095 CD LYS A 100 -7.014 -7.379 -2.239 1.00 0.00 C ATOM 1096 CE LYS A 100 -7.552 -7.533 -0.814 1.00 0.00 C ATOM 1097 NZ LYS A 100 -6.473 -7.372 0.187 1.00 0.00 N ATOM 0 H LYS A 100 -8.073 -6.679 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.483 -9.475 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.398 -9.477 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.777 -8.014 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.560 -6.719 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.937 -8.206 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.184 -8.066 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.627 -6.371 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.331 -6.792 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.013 -8.514 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.867 -7.481 1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.742 -8.095 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.051 -6.426 0.093 1.00 0.00 H new ATOM 1111 N TYR A 101 -10.913 -7.762 -4.759 1.00 0.00 N ATOM 1112 CA TYR A 101 -12.295 -7.852 -4.296 1.00 0.00 C ATOM 1113 C TYR A 101 -13.201 -8.497 -5.351 1.00 0.00 C ATOM 1114 O TYR A 101 -14.004 -9.367 -5.016 1.00 0.00 O ATOM 1115 CB TYR A 101 -12.789 -6.452 -3.906 1.00 0.00 C ATOM 1116 CG TYR A 101 -14.199 -6.421 -3.366 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -15.292 -6.319 -4.248 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -14.416 -6.519 -1.979 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -16.607 -6.363 -3.750 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -15.728 -6.547 -1.474 1.00 0.00 C ATOM 1121 CZ TYR A 101 -16.825 -6.493 -2.359 1.00 0.00 C ATOM 1122 OH TYR A 101 -18.091 -6.600 -1.872 1.00 0.00 O ATOM 0 H TYR A 101 -10.579 -6.803 -4.852 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.334 -8.498 -3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.116 -6.037 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -12.732 -5.803 -4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -15.121 -6.207 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.575 -6.573 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -17.446 -6.298 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -15.896 -6.610 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 101 -18.060 -6.683 -0.896 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.044 -8.119 -6.627 1.00 0.00 N ATOM 1133 CA LEU A 102 -13.766 -8.745 -7.733 1.00 0.00 C ATOM 1134 C LEU A 102 -13.369 -10.221 -7.904 1.00 0.00 C ATOM 1135 O LEU A 102 -14.242 -11.092 -7.958 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.541 -7.944 -9.028 1.00 0.00 C ATOM 1137 CG LEU A 102 -14.209 -6.551 -9.061 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -13.905 -5.891 -10.413 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -15.722 -6.629 -8.828 1.00 0.00 C ATOM 0 H LEU A 102 -12.413 -7.372 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.831 -8.732 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.469 -7.819 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.915 -8.529 -9.868 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.799 -5.951 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.371 -4.906 -10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.827 -5.787 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.301 -6.510 -11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.147 -5.626 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.179 -7.242 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.917 -7.075 -7.853 1.00 0.00 H new ATOM 1151 N LEU A 103 -12.060 -10.519 -7.961 1.00 0.00 N ATOM 1152 CA LEU A 103 -11.580 -11.894 -8.130 1.00 0.00 C ATOM 1153 C LEU A 103 -11.988 -12.795 -6.951 1.00 0.00 C ATOM 1154 O LEU A 103 -12.341 -13.949 -7.181 1.00 0.00 O ATOM 1155 CB LEU A 103 -10.069 -11.914 -8.471 1.00 0.00 C ATOM 1156 CG LEU A 103 -9.115 -12.259 -7.306 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -8.966 -13.778 -7.120 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -7.726 -11.648 -7.502 1.00 0.00 C ATOM 0 H LEU A 103 -11.318 -9.823 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.079 -12.337 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.907 -12.635 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.792 -10.935 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.569 -11.830 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.287 -13.978 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.941 -14.216 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.564 -14.219 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.088 -11.916 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.288 -12.029 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.811 -10.563 -7.562 1.00 0.00 H new ATOM 1170 N SER A 104 -12.013 -12.257 -5.721 1.00 0.00 N ATOM 1171 CA SER A 104 -12.370 -12.965 -4.482 1.00 0.00 C ATOM 1172 C SER A 104 -13.715 -13.695 -4.587 1.00 0.00 C ATOM 1173 O SER A 104 -13.863 -14.795 -4.057 1.00 0.00 O ATOM 1174 CB SER A 104 -12.374 -11.967 -3.312 1.00 0.00 C ATOM 1175 OG SER A 104 -12.776 -12.584 -2.109 1.00 0.00 O ATOM 0 H SER A 104 -11.776 -11.279 -5.557 1.00 0.00 H new ATOM 0 HA SER A 104 -11.620 -13.736 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.377 -11.544 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.046 -11.140 -3.540 1.00 0.00 H new ATOM 0 HG SER A 104 -12.767 -11.925 -1.384 1.00 0.00 H new ATOM 1181 N ASN A 105 -14.679 -13.122 -5.322 1.00 0.00 N ATOM 1182 CA ASN A 105 -15.964 -13.764 -5.588 1.00 0.00 C ATOM 1183 C ASN A 105 -15.900 -14.742 -6.777 1.00 0.00 C ATOM 1184 O ASN A 105 -16.502 -15.809 -6.706 1.00 0.00 O ATOM 1185 CB ASN A 105 -17.023 -12.671 -5.809 1.00 0.00 C ATOM 1186 CG ASN A 105 -18.441 -13.194 -5.612 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -19.033 -13.086 -4.547 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -19.045 -13.758 -6.638 1.00 0.00 N ATOM 0 H ASN A 105 -14.585 -12.200 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.238 -14.371 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.842 -11.848 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -16.923 -12.269 -6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.001 -14.101 -6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.557 -13.851 -7.529 1.00 0.00 H new ATOM 1195 N TYR A 106 -15.200 -14.383 -7.865 1.00 0.00 N ATOM 1196 CA TYR A 106 -15.056 -15.230 -9.055 1.00 0.00 C ATOM 1197 C TYR A 106 -14.403 -16.585 -8.752 1.00 0.00 C ATOM 1198 O TYR A 106 -14.937 -17.616 -9.158 1.00 0.00 O ATOM 1199 CB TYR A 106 -14.257 -14.504 -10.153 1.00 0.00 C ATOM 1200 CG TYR A 106 -15.025 -13.465 -10.951 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -16.226 -13.827 -11.595 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -14.508 -12.164 -11.120 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -16.911 -12.893 -12.392 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -15.183 -11.229 -11.928 1.00 0.00 C ATOM 1205 CZ TYR A 106 -16.387 -11.595 -12.572 1.00 0.00 C ATOM 1206 OH TYR A 106 -17.034 -10.715 -13.388 1.00 0.00 O ATOM 0 H TYR A 106 -14.715 -13.489 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 106 -16.068 -15.428 -9.408 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -13.399 -14.017 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -13.866 -15.250 -10.845 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -16.621 -14.825 -11.476 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -13.589 -11.883 -10.627 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -17.840 -13.170 -12.868 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -14.782 -10.234 -12.055 1.00 0.00 H new ATOM 0 HH TYR A 106 -16.546 -9.865 -13.404 1.00 0.00 H new ATOM 1216 N SER A 107 -13.238 -16.593 -8.092 1.00 0.00 N ATOM 1217 CA SER A 107 -12.566 -17.822 -7.658 1.00 0.00 C ATOM 1218 C SER A 107 -11.416 -17.514 -6.697 1.00 0.00 C ATOM 1219 O SER A 107 -10.803 -16.455 -6.791 1.00 0.00 O ATOM 1220 CB SER A 107 -12.003 -18.578 -8.869 1.00 0.00 C ATOM 1221 OG SER A 107 -11.846 -19.939 -8.529 1.00 0.00 O ATOM 0 H SER A 107 -12.733 -15.742 -7.843 1.00 0.00 H new ATOM 0 HA SER A 107 -13.307 -18.435 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.675 -18.478 -9.721 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.045 -18.152 -9.167 1.00 0.00 H new ATOM 0 HG SER A 107 -11.488 -20.429 -9.298 1.00 0.00 H new ATOM 1227 N SER A 108 -11.076 -18.446 -5.801 1.00 0.00 N ATOM 1228 CA SER A 108 -9.958 -18.275 -4.870 1.00 0.00 C ATOM 1229 C SER A 108 -8.689 -18.955 -5.387 1.00 0.00 C ATOM 1230 O SER A 108 -8.739 -20.032 -5.979 1.00 0.00 O ATOM 1231 CB SER A 108 -10.340 -18.770 -3.468 1.00 0.00 C ATOM 1232 OG SER A 108 -10.465 -20.179 -3.393 1.00 0.00 O ATOM 0 H SER A 108 -11.566 -19.335 -5.701 1.00 0.00 H new ATOM 0 HA SER A 108 -9.738 -17.210 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.586 -18.439 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.283 -18.311 -3.171 1.00 0.00 H new ATOM 0 HG SER A 108 -10.707 -20.438 -2.479 1.00 0.00 H new ATOM 1238 N VAL A 109 -7.537 -18.344 -5.099 1.00 0.00 N ATOM 1239 CA VAL A 109 -6.208 -18.821 -5.490 1.00 0.00 C ATOM 1240 C VAL A 109 -5.217 -18.592 -4.342 1.00 0.00 C ATOM 1241 O VAL A 109 -4.839 -17.456 -4.051 1.00 0.00 O ATOM 1242 CB VAL A 109 -5.721 -18.174 -6.809 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -6.410 -18.805 -8.030 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -5.917 -16.648 -6.884 1.00 0.00 C ATOM 0 H VAL A 109 -7.503 -17.473 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.272 -19.891 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.649 -18.369 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.046 -18.328 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.185 -19.871 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.488 -18.664 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.548 -16.280 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.977 -16.412 -6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.365 -16.170 -6.075 1.00 0.00 H new ATOM 1254 N THR A 110 -4.863 -19.680 -3.647 1.00 0.00 N ATOM 1255 CA THR A 110 -3.778 -19.726 -2.655 1.00 0.00 C ATOM 1256 C THR A 110 -2.411 -19.801 -3.344 1.00 0.00 C ATOM 1257 O THR A 110 -1.490 -19.133 -2.833 1.00 0.00 O ATOM 1258 CB THR A 110 -3.963 -20.913 -1.698 1.00 0.00 C ATOM 1259 OG1 THR A 110 -5.258 -20.856 -1.140 1.00 0.00 O ATOM 1260 CG2 THR A 110 -2.948 -20.899 -0.545 1.00 0.00 C ATOM 0 H THR A 110 -5.335 -20.577 -3.761 1.00 0.00 H new ATOM 0 HA THR A 110 -3.817 -18.806 -2.072 1.00 0.00 H new ATOM 0 HB THR A 110 -3.812 -21.824 -2.277 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.384 -21.612 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.121 -21.758 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.937 -20.948 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.065 -19.981 0.031 1.00 0.00 H new TER 1268 THR A 110