USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 88 HECFE :(H bumps) USER MOD NoAdj-H: A 88 HEC HAC : A 88 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 88 HEC HAB : A 88 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 LYS NZ :NH3+ -136:sc= -0.114 (180deg=-0.721!) USER MOD Set 2.2: A 50 GLN :FLIP amide:sc= -7.38! C(o=-9.9!,f=-5.3!) USER MOD Set 2.3: A 88 HEC O2A : rot -90:sc= 1.08 USER MOD Set 2.4: A 88 HEC O2D : rot -66:sc= 1.06 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 69 GLN :FLIP amide:sc= -9.81! C(o=-14!,f=-9.8!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -11.9! C(o=-12!,f=-13!) USER MOD Single : A 19 MET CE :methyl 156:sc=-0.00855 (180deg=-0.629) USER MOD Single : A 23 ASN : amide:sc= -2.56 K(o=-2.6,f=-3.4!) USER MOD Single : A 26 MET CE :methyl 138:sc= -0.521 (180deg=-1.39!) USER MOD Single : A 28 ASN : amide:sc= -4.33! C(o=-4.3!,f=-7.7!) USER MOD Single : A 30 THR OG1 : rot 61:sc= 0.787 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.09 F(o=-3.3!,f=-1.1) USER MOD Single : A 41 MET CE :methyl -146:sc= -8.18! (180deg=-13.7!) USER MOD Single : A 42 TYR OH : rot -120:sc= -3.74! USER MOD Single : A 43 SER OG : rot 180:sc= -1.17 USER MOD Single : A 52 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -9.96! C(o=-14!,f=-10!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.708 F(o=-2.8,f=-0.71) USER MOD Single : A 58 MET CE :methyl 157:sc= -8.56! (180deg=-11.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.91! C(o=-5.9!,f=-9.1!) USER MOD Single : A 76 TYR OH : rot -79:sc= -1.65! USER MOD Single : A 80 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.207 9.616 -18.036 1.00 0.00 N ATOM 2 CA ALA A 1 32.580 10.571 -18.994 1.00 0.00 C ATOM 3 C ALA A 1 31.411 9.888 -19.707 1.00 0.00 C ATOM 4 O ALA A 1 31.554 9.372 -20.798 1.00 0.00 O ATOM 5 CB ALA A 1 33.618 11.017 -20.026 1.00 0.00 C ATOM 0 H1 ALA A 1 34.001 10.081 -17.552 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.501 9.316 -17.333 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.556 8.784 -18.553 1.00 0.00 H new ATOM 0 HA ALA A 1 32.214 11.441 -18.449 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.159 11.715 -20.726 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.449 11.506 -19.518 1.00 0.00 H new ATOM 0 HB3 ALA A 1 33.987 10.148 -20.570 1.00 0.00 H new ATOM 13 N ASP A 2 30.255 9.885 -19.102 1.00 0.00 N ATOM 14 CA ASP A 2 29.076 9.243 -19.741 1.00 0.00 C ATOM 15 C ASP A 2 29.221 7.724 -19.695 1.00 0.00 C ATOM 16 O ASP A 2 28.407 7.001 -20.236 1.00 0.00 O ATOM 17 CB ASP A 2 28.966 9.696 -21.194 1.00 0.00 C ATOM 18 CG ASP A 2 29.204 11.206 -21.277 1.00 0.00 C ATOM 19 OD1 ASP A 2 28.600 11.924 -20.497 1.00 0.00 O ATOM 20 OD2 ASP A 2 29.988 11.617 -22.116 1.00 0.00 O ATOM 0 H ASP A 2 30.078 10.302 -18.188 1.00 0.00 H new ATOM 0 HA ASP A 2 28.177 9.536 -19.199 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.696 9.168 -21.807 1.00 0.00 H new ATOM 0 HB3 ASP A 2 27.980 9.450 -21.589 1.00 0.00 H new ATOM 25 N LEU A 3 30.240 7.223 -19.050 1.00 0.00 N ATOM 26 CA LEU A 3 30.405 5.750 -18.979 1.00 0.00 C ATOM 27 C LEU A 3 29.438 5.172 -17.949 1.00 0.00 C ATOM 28 O LEU A 3 29.456 3.991 -17.665 1.00 0.00 O ATOM 29 CB LEU A 3 31.838 5.394 -18.592 1.00 0.00 C ATOM 30 CG LEU A 3 32.235 4.136 -19.356 1.00 0.00 C ATOM 31 CD1 LEU A 3 33.755 4.026 -19.426 1.00 0.00 C ATOM 32 CD2 LEU A 3 31.669 2.905 -18.647 1.00 0.00 C ATOM 0 H LEU A 3 30.958 7.768 -18.574 1.00 0.00 H new ATOM 0 HA LEU A 3 30.189 5.326 -19.960 1.00 0.00 H new ATOM 0 HB2 LEU A 3 32.513 6.215 -18.834 1.00 0.00 H new ATOM 0 HB3 LEU A 3 31.912 5.226 -17.518 1.00 0.00 H new ATOM 0 HG LEU A 3 31.832 4.193 -20.367 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.030 3.124 -19.973 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.160 4.899 -19.938 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.163 3.976 -18.416 1.00 0.00 H new ATOM 0 HD21 LEU A 3 31.954 2.007 -19.195 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.067 2.854 -17.634 1.00 0.00 H new ATOM 0 HD23 LEU A 3 30.582 2.976 -18.607 1.00 0.00 H new ATOM 44 N ALA A 4 28.554 5.973 -17.424 1.00 0.00 N ATOM 45 CA ALA A 4 27.564 5.433 -16.476 1.00 0.00 C ATOM 46 C ALA A 4 26.581 4.651 -17.328 1.00 0.00 C ATOM 47 O ALA A 4 25.929 3.725 -16.889 1.00 0.00 O ATOM 48 CB ALA A 4 26.848 6.572 -15.748 1.00 0.00 C ATOM 0 H ALA A 4 28.481 6.972 -17.614 1.00 0.00 H new ATOM 0 HA ALA A 4 28.029 4.809 -15.713 1.00 0.00 H new ATOM 0 HB1 ALA A 4 26.120 6.157 -15.051 1.00 0.00 H new ATOM 0 HB2 ALA A 4 27.577 7.168 -15.199 1.00 0.00 H new ATOM 0 HB3 ALA A 4 26.336 7.203 -16.474 1.00 0.00 H new ATOM 54 N ASN A 5 26.515 5.028 -18.577 1.00 0.00 N ATOM 55 CA ASN A 5 25.634 4.346 -19.542 1.00 0.00 C ATOM 56 C ASN A 5 26.374 3.116 -20.091 1.00 0.00 C ATOM 57 O ASN A 5 25.822 2.306 -20.810 1.00 0.00 O ATOM 58 CB ASN A 5 25.338 5.320 -20.665 1.00 0.00 C ATOM 59 CG ASN A 5 24.316 6.355 -20.191 1.00 0.00 C ATOM 60 OD1 ASN A 5 23.844 6.294 -19.072 1.00 0.00 O ATOM 61 ND2 ASN A 5 23.951 7.313 -20.999 1.00 0.00 N ATOM 0 H ASN A 5 27.053 5.801 -18.969 1.00 0.00 H new ATOM 0 HA ASN A 5 24.703 4.025 -19.075 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.255 5.818 -20.980 1.00 0.00 H new ATOM 0 HB3 ASN A 5 24.952 4.784 -21.532 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.271 8.008 -20.691 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.346 7.366 -21.938 1.00 0.00 H new ATOM 68 N GLY A 6 27.621 2.973 -19.727 1.00 0.00 N ATOM 69 CA GLY A 6 28.427 1.795 -20.161 1.00 0.00 C ATOM 70 C GLY A 6 28.187 0.695 -19.128 1.00 0.00 C ATOM 71 O GLY A 6 27.670 -0.354 -19.437 1.00 0.00 O ATOM 0 H GLY A 6 28.124 3.636 -19.136 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.126 1.465 -21.155 1.00 0.00 H new ATOM 0 HA3 GLY A 6 29.485 2.049 -20.217 1.00 0.00 H new ATOM 75 N ALA A 7 28.555 0.949 -17.895 1.00 0.00 N ATOM 76 CA ALA A 7 28.351 -0.051 -16.811 1.00 0.00 C ATOM 77 C ALA A 7 26.993 -0.708 -16.989 1.00 0.00 C ATOM 78 O ALA A 7 26.829 -1.892 -16.769 1.00 0.00 O ATOM 79 CB ALA A 7 28.409 0.651 -15.453 1.00 0.00 C ATOM 0 H ALA A 7 28.993 1.820 -17.595 1.00 0.00 H new ATOM 0 HA ALA A 7 29.132 -0.810 -16.857 1.00 0.00 H new ATOM 0 HB1 ALA A 7 28.260 -0.080 -14.659 1.00 0.00 H new ATOM 0 HB2 ALA A 7 29.382 1.126 -15.330 1.00 0.00 H new ATOM 0 HB3 ALA A 7 27.626 1.408 -15.401 1.00 0.00 H new ATOM 85 N LYS A 8 26.017 0.046 -17.393 1.00 0.00 N ATOM 86 CA LYS A 8 24.673 -0.554 -17.593 1.00 0.00 C ATOM 87 C LYS A 8 24.782 -1.622 -18.680 1.00 0.00 C ATOM 88 O LYS A 8 24.313 -2.732 -18.529 1.00 0.00 O ATOM 89 CB LYS A 8 23.637 0.512 -18.005 1.00 0.00 C ATOM 90 CG LYS A 8 24.316 1.653 -18.767 1.00 0.00 C ATOM 91 CD LYS A 8 23.425 2.106 -19.938 1.00 0.00 C ATOM 92 CE LYS A 8 23.554 1.108 -21.077 1.00 0.00 C ATOM 93 NZ LYS A 8 22.199 0.664 -21.509 1.00 0.00 N ATOM 0 H LYS A 8 26.088 1.044 -17.593 1.00 0.00 H new ATOM 0 HA LYS A 8 24.335 -0.994 -16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.867 0.058 -18.629 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.138 0.905 -17.119 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.501 2.491 -18.095 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.285 1.325 -19.142 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.386 2.176 -19.615 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.722 3.100 -20.274 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.083 1.563 -21.915 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.144 0.249 -20.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.289 -0.019 -22.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.710 0.214 -20.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.651 1.487 -21.831 1.00 0.00 H new ATOM 107 N VAL A 9 25.396 -1.287 -19.779 1.00 0.00 N ATOM 108 CA VAL A 9 25.541 -2.268 -20.889 1.00 0.00 C ATOM 109 C VAL A 9 26.394 -3.474 -20.476 1.00 0.00 C ATOM 110 O VAL A 9 25.954 -4.601 -20.557 1.00 0.00 O ATOM 111 CB VAL A 9 26.212 -1.585 -22.069 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.428 -2.602 -23.190 1.00 0.00 C ATOM 113 CG2 VAL A 9 25.313 -0.467 -22.572 1.00 0.00 C ATOM 0 H VAL A 9 25.806 -0.370 -19.957 1.00 0.00 H new ATOM 0 HA VAL A 9 24.545 -2.624 -21.153 1.00 0.00 H new ATOM 0 HB VAL A 9 27.174 -1.176 -21.759 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.909 -2.113 -24.037 1.00 0.00 H new ATOM 0 HG12 VAL A 9 27.063 -3.411 -22.830 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.466 -3.007 -23.504 1.00 0.00 H new ATOM 0 HG21 VAL A 9 25.788 0.028 -23.419 1.00 0.00 H new ATOM 0 HG22 VAL A 9 24.355 -0.883 -22.885 1.00 0.00 H new ATOM 0 HG23 VAL A 9 25.151 0.257 -21.773 1.00 0.00 H new ATOM 123 N PHE A 10 27.624 -3.263 -20.082 1.00 0.00 N ATOM 124 CA PHE A 10 28.493 -4.416 -19.724 1.00 0.00 C ATOM 125 C PHE A 10 27.857 -5.313 -18.653 1.00 0.00 C ATOM 126 O PHE A 10 27.935 -6.518 -18.723 1.00 0.00 O ATOM 127 CB PHE A 10 29.789 -3.894 -19.195 1.00 0.00 C ATOM 128 CG PHE A 10 30.746 -5.021 -18.996 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.694 -5.728 -17.807 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.693 -5.356 -19.977 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.574 -6.774 -17.584 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.578 -6.403 -19.745 1.00 0.00 C ATOM 133 CZ PHE A 10 32.520 -7.117 -18.549 1.00 0.00 C ATOM 0 H PHE A 10 28.060 -2.345 -19.994 1.00 0.00 H new ATOM 0 HA PHE A 10 28.638 -5.015 -20.623 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.209 -3.167 -19.890 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.624 -3.374 -18.251 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.967 -5.464 -17.053 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.734 -4.805 -20.905 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.527 -7.327 -16.657 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.312 -6.664 -20.493 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.205 -7.933 -18.371 1.00 0.00 H new ATOM 143 N SER A 11 27.260 -4.745 -17.644 1.00 0.00 N ATOM 144 CA SER A 11 26.658 -5.586 -16.565 1.00 0.00 C ATOM 145 C SER A 11 25.252 -6.034 -16.962 1.00 0.00 C ATOM 146 O SER A 11 24.455 -6.412 -16.126 1.00 0.00 O ATOM 147 CB SER A 11 26.582 -4.778 -15.268 1.00 0.00 C ATOM 148 OG SER A 11 27.746 -5.019 -14.490 1.00 0.00 O ATOM 0 H SER A 11 27.161 -3.738 -17.517 1.00 0.00 H new ATOM 0 HA SER A 11 27.284 -6.466 -16.417 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.496 -3.715 -15.494 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.691 -5.057 -14.705 1.00 0.00 H new ATOM 0 HG SER A 11 27.698 -4.500 -13.660 1.00 0.00 H new ATOM 154 N GLY A 12 24.935 -5.996 -18.223 1.00 0.00 N ATOM 155 CA GLY A 12 23.577 -6.419 -18.649 1.00 0.00 C ATOM 156 C GLY A 12 23.600 -7.073 -20.039 1.00 0.00 C ATOM 157 O GLY A 12 22.572 -7.466 -20.552 1.00 0.00 O ATOM 0 H GLY A 12 25.555 -5.692 -18.974 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.169 -7.121 -17.922 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.914 -5.554 -18.664 1.00 0.00 H new ATOM 161 N ASN A 13 24.744 -7.198 -20.661 1.00 0.00 N ATOM 162 CA ASN A 13 24.779 -7.828 -22.016 1.00 0.00 C ATOM 163 C ASN A 13 26.170 -8.400 -22.292 1.00 0.00 C ATOM 164 O ASN A 13 26.317 -9.528 -22.721 1.00 0.00 O ATOM 165 CB ASN A 13 24.453 -6.775 -23.079 1.00 0.00 C ATOM 166 CG ASN A 13 23.511 -5.722 -22.495 1.00 0.00 C ATOM 167 OD1 ASN A 13 22.335 -5.972 -22.315 1.00 0.00 O ATOM 168 ND2 ASN A 13 23.980 -4.544 -22.195 1.00 0.00 N ATOM 0 H ASN A 13 25.647 -6.895 -20.295 1.00 0.00 H new ATOM 0 HA ASN A 13 24.043 -8.631 -22.051 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.371 -6.301 -23.428 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.990 -7.250 -23.944 1.00 0.00 H new ATOM 0 HD21 ASN A 13 23.360 -3.832 -21.809 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.967 -4.334 -22.346 1.00 0.00 H new ATOM 175 N CYS A 14 27.189 -7.624 -22.059 1.00 0.00 N ATOM 176 CA CYS A 14 28.578 -8.106 -22.315 1.00 0.00 C ATOM 177 C CYS A 14 28.961 -9.141 -21.256 1.00 0.00 C ATOM 178 O CYS A 14 29.657 -10.096 -21.528 1.00 0.00 O ATOM 179 CB CYS A 14 29.544 -6.920 -22.240 1.00 0.00 C ATOM 180 SG CYS A 14 28.768 -5.451 -22.970 1.00 0.00 S ATOM 0 H CYS A 14 27.122 -6.671 -21.700 1.00 0.00 H new ATOM 0 HA CYS A 14 28.632 -8.562 -23.304 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.813 -6.723 -21.202 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.467 -7.156 -22.769 1.00 0.00 H new ATOM 185 N ALA A 15 28.515 -8.948 -20.049 1.00 0.00 N ATOM 186 CA ALA A 15 28.847 -9.903 -18.953 1.00 0.00 C ATOM 187 C ALA A 15 28.518 -11.334 -19.385 1.00 0.00 C ATOM 188 O ALA A 15 29.231 -12.264 -19.069 1.00 0.00 O ATOM 189 CB ALA A 15 28.031 -9.549 -17.709 1.00 0.00 C ATOM 0 H ALA A 15 27.928 -8.162 -19.770 1.00 0.00 H new ATOM 0 HA ALA A 15 29.912 -9.834 -18.730 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.271 -10.246 -16.906 1.00 0.00 H new ATOM 0 HB2 ALA A 15 28.271 -8.534 -17.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.968 -9.615 -17.940 1.00 0.00 H new ATOM 195 N ALA A 16 27.443 -11.525 -20.099 1.00 0.00 N ATOM 196 CA ALA A 16 27.086 -12.906 -20.538 1.00 0.00 C ATOM 197 C ALA A 16 28.267 -13.516 -21.294 1.00 0.00 C ATOM 198 O ALA A 16 28.579 -14.680 -21.147 1.00 0.00 O ATOM 199 CB ALA A 16 25.865 -12.853 -21.457 1.00 0.00 C ATOM 0 H ALA A 16 26.800 -10.791 -20.396 1.00 0.00 H new ATOM 0 HA ALA A 16 26.854 -13.517 -19.666 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.606 -13.862 -21.776 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.024 -12.415 -20.919 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.094 -12.243 -22.331 1.00 0.00 H new ATOM 205 N CYS A 17 28.923 -12.733 -22.105 1.00 0.00 N ATOM 206 CA CYS A 17 30.083 -13.253 -22.880 1.00 0.00 C ATOM 207 C CYS A 17 31.340 -12.470 -22.504 1.00 0.00 C ATOM 208 O CYS A 17 32.305 -12.440 -23.241 1.00 0.00 O ATOM 209 CB CYS A 17 29.806 -13.075 -24.361 1.00 0.00 C ATOM 210 SG CYS A 17 28.307 -13.999 -24.807 1.00 0.00 S ATOM 0 H CYS A 17 28.704 -11.750 -22.265 1.00 0.00 H new ATOM 0 HA CYS A 17 30.233 -14.309 -22.654 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.678 -12.018 -24.594 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.654 -13.430 -24.947 1.00 0.00 H new ATOM 215 N HIS A 18 31.335 -11.824 -21.369 1.00 0.00 N ATOM 216 CA HIS A 18 32.531 -11.032 -20.966 1.00 0.00 C ATOM 217 C HIS A 18 32.517 -10.791 -19.457 1.00 0.00 C ATOM 218 O HIS A 18 33.152 -9.887 -18.962 1.00 0.00 O ATOM 219 CB HIS A 18 32.504 -9.688 -21.692 1.00 0.00 C ATOM 220 CG HIS A 18 32.743 -9.911 -23.140 1.00 0.00 C ATOM 221 ND1 HIS A 18 34.016 -10.010 -23.642 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.899 -10.084 -24.196 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.915 -10.245 -24.954 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.642 -10.304 -25.351 1.00 0.00 N ATOM 0 H HIS A 18 30.559 -11.811 -20.707 1.00 0.00 H new ATOM 0 HA HIS A 18 33.434 -11.583 -21.229 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.542 -9.199 -21.541 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.266 -9.025 -21.283 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.882 -9.921 -23.111 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.821 -10.055 -24.144 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.761 -10.372 -25.613 1.00 0.00 H new ATOM 232 N MET A 19 31.804 -11.592 -18.721 1.00 0.00 N ATOM 233 CA MET A 19 31.758 -11.399 -17.245 1.00 0.00 C ATOM 234 C MET A 19 33.178 -11.408 -16.681 1.00 0.00 C ATOM 235 O MET A 19 34.075 -12.000 -17.249 1.00 0.00 O ATOM 236 CB MET A 19 30.950 -12.516 -16.606 1.00 0.00 C ATOM 237 CG MET A 19 29.889 -11.914 -15.685 1.00 0.00 C ATOM 238 SD MET A 19 28.314 -12.769 -15.941 1.00 0.00 S ATOM 239 CE MET A 19 28.879 -14.426 -15.486 1.00 0.00 C ATOM 0 H MET A 19 31.251 -12.372 -19.075 1.00 0.00 H new ATOM 0 HA MET A 19 31.287 -10.441 -17.023 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.476 -13.123 -17.377 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.607 -13.176 -16.039 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.200 -12.006 -14.645 1.00 0.00 H new ATOM 0 HG3 MET A 19 29.775 -10.850 -15.890 1.00 0.00 H new ATOM 0 HE1 MET A 19 28.028 -15.024 -15.160 1.00 0.00 H new ATOM 0 HE2 MET A 19 29.347 -14.900 -16.349 1.00 0.00 H new ATOM 0 HE3 MET A 19 29.603 -14.353 -14.675 1.00 0.00 H new ATOM 249 N GLY A 20 33.392 -10.752 -15.570 1.00 0.00 N ATOM 250 CA GLY A 20 34.758 -10.719 -14.976 1.00 0.00 C ATOM 251 C GLY A 20 35.778 -10.483 -16.090 1.00 0.00 C ATOM 252 O GLY A 20 36.886 -10.980 -16.051 1.00 0.00 O ATOM 0 H GLY A 20 32.680 -10.239 -15.050 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.825 -9.927 -14.230 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.969 -11.658 -14.465 1.00 0.00 H new ATOM 256 N GLY A 21 35.406 -9.729 -17.088 1.00 0.00 N ATOM 257 CA GLY A 21 36.341 -9.459 -18.210 1.00 0.00 C ATOM 258 C GLY A 21 36.995 -10.768 -18.654 1.00 0.00 C ATOM 259 O GLY A 21 38.202 -10.905 -18.648 1.00 0.00 O ATOM 0 H GLY A 21 34.490 -9.288 -17.172 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.804 -9.007 -19.044 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.104 -8.746 -17.898 1.00 0.00 H new ATOM 263 N GLY A 22 36.203 -11.730 -19.041 1.00 0.00 N ATOM 264 CA GLY A 22 36.769 -13.033 -19.491 1.00 0.00 C ATOM 265 C GLY A 22 35.876 -13.615 -20.588 1.00 0.00 C ATOM 266 O GLY A 22 34.924 -14.318 -20.315 1.00 0.00 O ATOM 0 H GLY A 22 35.185 -11.669 -19.065 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.783 -12.893 -19.866 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.833 -13.725 -18.651 1.00 0.00 H new ATOM 270 N ASN A 23 36.176 -13.324 -21.826 1.00 0.00 N ATOM 271 CA ASN A 23 35.342 -13.856 -22.943 1.00 0.00 C ATOM 272 C ASN A 23 34.978 -15.316 -22.670 1.00 0.00 C ATOM 273 O ASN A 23 35.769 -16.076 -22.147 1.00 0.00 O ATOM 274 CB ASN A 23 36.126 -13.765 -24.254 1.00 0.00 C ATOM 275 CG ASN A 23 35.249 -13.115 -25.326 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.037 -13.142 -25.235 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.812 -12.527 -26.345 1.00 0.00 N ATOM 0 H ASN A 23 36.963 -12.741 -22.112 1.00 0.00 H new ATOM 0 HA ASN A 23 34.429 -13.266 -23.020 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.034 -13.180 -24.108 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.435 -14.760 -24.575 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.236 -12.090 -27.064 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.829 -12.504 -26.423 1.00 0.00 H new ATOM 284 N VAL A 24 33.785 -15.714 -23.021 1.00 0.00 N ATOM 285 CA VAL A 24 33.372 -17.125 -22.783 1.00 0.00 C ATOM 286 C VAL A 24 33.406 -17.897 -24.107 1.00 0.00 C ATOM 287 O VAL A 24 33.128 -19.079 -24.154 1.00 0.00 O ATOM 288 CB VAL A 24 31.953 -17.150 -22.203 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.831 -16.085 -21.110 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.937 -16.859 -23.311 1.00 0.00 C ATOM 0 H VAL A 24 33.080 -15.123 -23.462 1.00 0.00 H new ATOM 0 HA VAL A 24 34.058 -17.593 -22.077 1.00 0.00 H new ATOM 0 HB VAL A 24 31.754 -18.134 -21.780 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.823 -16.102 -20.697 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.551 -16.292 -20.318 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.032 -15.102 -21.536 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.930 -16.878 -22.895 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.135 -15.876 -23.737 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.022 -17.616 -24.090 1.00 0.00 H new ATOM 300 N VAL A 25 33.745 -17.237 -25.181 1.00 0.00 N ATOM 301 CA VAL A 25 33.797 -17.932 -26.497 1.00 0.00 C ATOM 302 C VAL A 25 35.250 -18.029 -26.965 1.00 0.00 C ATOM 303 O VAL A 25 35.810 -19.103 -27.055 1.00 0.00 O ATOM 304 CB VAL A 25 32.980 -17.140 -27.521 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.954 -17.896 -28.850 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.551 -16.968 -27.004 1.00 0.00 C ATOM 0 H VAL A 25 33.988 -16.247 -25.203 1.00 0.00 H new ATOM 0 HA VAL A 25 33.382 -18.935 -26.398 1.00 0.00 H new ATOM 0 HB VAL A 25 33.435 -16.161 -27.671 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.372 -17.331 -29.578 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.973 -18.021 -29.218 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.499 -18.875 -28.703 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.966 -16.404 -27.731 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.098 -17.948 -26.855 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.569 -16.429 -26.057 1.00 0.00 H new ATOM 316 N MET A 26 35.868 -16.918 -27.262 1.00 0.00 N ATOM 317 CA MET A 26 37.285 -16.959 -27.718 1.00 0.00 C ATOM 318 C MET A 26 38.170 -17.464 -26.576 1.00 0.00 C ATOM 319 O MET A 26 38.087 -16.990 -25.460 1.00 0.00 O ATOM 320 CB MET A 26 37.729 -15.555 -28.131 1.00 0.00 C ATOM 321 CG MET A 26 37.604 -15.406 -29.649 1.00 0.00 C ATOM 322 SD MET A 26 39.043 -16.161 -30.450 1.00 0.00 S ATOM 323 CE MET A 26 38.183 -17.581 -31.171 1.00 0.00 C ATOM 0 H MET A 26 35.454 -15.987 -27.209 1.00 0.00 H new ATOM 0 HA MET A 26 37.376 -17.631 -28.572 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.116 -14.806 -27.630 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.760 -15.382 -27.822 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.688 -15.883 -29.998 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.536 -14.352 -29.917 1.00 0.00 H new ATOM 0 HE1 MET A 26 38.542 -17.746 -32.187 1.00 0.00 H new ATOM 0 HE2 MET A 26 38.377 -18.468 -30.568 1.00 0.00 H new ATOM 0 HE3 MET A 26 37.111 -17.385 -31.193 1.00 0.00 H new ATOM 333 N ALA A 27 39.014 -18.423 -26.843 1.00 0.00 N ATOM 334 CA ALA A 27 39.902 -18.956 -25.771 1.00 0.00 C ATOM 335 C ALA A 27 41.156 -18.085 -25.665 1.00 0.00 C ATOM 336 O ALA A 27 42.265 -18.578 -25.630 1.00 0.00 O ATOM 337 CB ALA A 27 40.307 -20.393 -26.113 1.00 0.00 C ATOM 0 H ALA A 27 39.127 -18.861 -27.757 1.00 0.00 H new ATOM 0 HA ALA A 27 39.370 -18.943 -24.820 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.956 -20.784 -25.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.415 -21.014 -26.188 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.839 -20.405 -27.065 1.00 0.00 H new ATOM 343 N ASN A 28 40.987 -16.791 -25.612 1.00 0.00 N ATOM 344 CA ASN A 28 42.160 -15.886 -25.507 1.00 0.00 C ATOM 345 C ASN A 28 41.688 -14.432 -25.581 1.00 0.00 C ATOM 346 O ASN A 28 41.894 -13.655 -24.670 1.00 0.00 O ATOM 347 CB ASN A 28 43.134 -16.170 -26.652 1.00 0.00 C ATOM 348 CG ASN A 28 42.346 -16.442 -27.933 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.768 -17.499 -28.092 1.00 0.00 O ATOM 350 ND2 ASN A 28 42.298 -15.527 -28.860 1.00 0.00 N ATOM 0 H ASN A 28 40.081 -16.323 -25.637 1.00 0.00 H new ATOM 0 HA ASN A 28 42.666 -16.056 -24.556 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.801 -15.320 -26.796 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.760 -17.028 -26.408 1.00 0.00 H new ATOM 0 HD21 ASN A 28 41.775 -15.698 -29.719 1.00 0.00 H new ATOM 0 HD22 ASN A 28 42.783 -14.640 -28.726 1.00 0.00 H new ATOM 357 N LYS A 29 41.052 -14.057 -26.657 1.00 0.00 N ATOM 358 CA LYS A 29 40.564 -12.654 -26.782 1.00 0.00 C ATOM 359 C LYS A 29 39.749 -12.291 -25.537 1.00 0.00 C ATOM 360 O LYS A 29 38.613 -12.693 -25.391 1.00 0.00 O ATOM 361 CB LYS A 29 39.682 -12.532 -28.025 1.00 0.00 C ATOM 362 CG LYS A 29 40.531 -12.076 -29.213 1.00 0.00 C ATOM 363 CD LYS A 29 39.652 -11.314 -30.207 1.00 0.00 C ATOM 364 CE LYS A 29 40.254 -11.428 -31.610 1.00 0.00 C ATOM 365 NZ LYS A 29 39.557 -12.508 -32.362 1.00 0.00 N ATOM 0 H LYS A 29 40.849 -14.660 -27.454 1.00 0.00 H new ATOM 0 HA LYS A 29 41.413 -11.976 -26.873 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.213 -13.491 -28.247 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.878 -11.819 -27.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 41.345 -11.438 -28.868 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.986 -12.938 -29.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 38.640 -11.719 -30.199 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.578 -10.266 -29.915 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.155 -10.480 -32.138 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.320 -11.646 -31.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.258 -13.088 -32.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.025 -13.106 -31.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.900 -12.085 -33.048 1.00 0.00 H new ATOM 379 N THR A 30 40.321 -11.542 -24.633 1.00 0.00 N ATOM 380 CA THR A 30 39.578 -11.168 -23.400 1.00 0.00 C ATOM 381 C THR A 30 39.309 -9.659 -23.389 1.00 0.00 C ATOM 382 O THR A 30 39.722 -8.937 -24.275 1.00 0.00 O ATOM 383 CB THR A 30 40.419 -11.542 -22.180 1.00 0.00 C ATOM 384 OG1 THR A 30 41.022 -12.811 -22.394 1.00 0.00 O ATOM 385 CG2 THR A 30 39.528 -11.601 -20.939 1.00 0.00 C ATOM 0 H THR A 30 41.270 -11.174 -24.697 1.00 0.00 H new ATOM 0 HA THR A 30 38.627 -11.699 -23.374 1.00 0.00 H new ATOM 0 HB THR A 30 41.194 -10.791 -22.030 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.609 -12.766 -23.178 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.131 -11.868 -20.071 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.067 -10.627 -20.775 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.750 -12.350 -21.085 1.00 0.00 H new ATOM 393 N LEU A 31 38.616 -9.181 -22.389 1.00 0.00 N ATOM 394 CA LEU A 31 38.313 -7.722 -22.307 1.00 0.00 C ATOM 395 C LEU A 31 39.355 -7.027 -21.443 1.00 0.00 C ATOM 396 O LEU A 31 39.503 -5.821 -21.481 1.00 0.00 O ATOM 397 CB LEU A 31 36.945 -7.522 -21.647 1.00 0.00 C ATOM 398 CG LEU A 31 35.790 -7.702 -22.660 1.00 0.00 C ATOM 399 CD1 LEU A 31 35.129 -6.354 -22.950 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.294 -8.302 -23.980 1.00 0.00 C ATOM 0 H LEU A 31 38.245 -9.742 -21.622 1.00 0.00 H new ATOM 0 HA LEU A 31 38.318 -7.305 -23.314 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.827 -8.234 -20.830 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.894 -6.525 -21.210 1.00 0.00 H new ATOM 0 HG LEU A 31 35.066 -8.385 -22.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.317 -6.493 -23.664 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.731 -5.938 -22.025 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.867 -5.669 -23.368 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.458 -8.416 -24.670 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.040 -7.640 -24.419 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.742 -9.277 -23.789 1.00 0.00 H new ATOM 412 N LYS A 32 40.058 -7.769 -20.641 1.00 0.00 N ATOM 413 CA LYS A 32 41.062 -7.138 -19.752 1.00 0.00 C ATOM 414 C LYS A 32 42.097 -6.358 -20.584 1.00 0.00 C ATOM 415 O LYS A 32 41.772 -5.363 -21.202 1.00 0.00 O ATOM 416 CB LYS A 32 41.751 -8.219 -18.913 1.00 0.00 C ATOM 417 CG LYS A 32 40.692 -9.090 -18.236 1.00 0.00 C ATOM 418 CD LYS A 32 41.092 -10.562 -18.357 1.00 0.00 C ATOM 419 CE LYS A 32 42.408 -10.795 -17.613 1.00 0.00 C ATOM 420 NZ LYS A 32 42.632 -12.259 -17.446 1.00 0.00 N ATOM 0 H LYS A 32 39.981 -8.783 -20.563 1.00 0.00 H new ATOM 0 HA LYS A 32 40.562 -6.435 -19.086 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.392 -8.833 -19.546 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.393 -7.758 -18.162 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.594 -8.813 -17.186 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.720 -8.927 -18.700 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.310 -11.198 -17.942 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.202 -10.835 -19.407 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.235 -10.351 -18.167 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.379 -10.307 -16.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.527 -12.418 -16.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.848 -12.670 -16.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.678 -12.712 -18.381 1.00 0.00 H new ATOM 434 N LYS A 33 43.340 -6.781 -20.601 1.00 0.00 N ATOM 435 CA LYS A 33 44.363 -6.026 -21.389 1.00 0.00 C ATOM 436 C LYS A 33 45.535 -6.943 -21.788 1.00 0.00 C ATOM 437 O LYS A 33 46.181 -6.726 -22.792 1.00 0.00 O ATOM 438 CB LYS A 33 44.892 -4.872 -20.525 1.00 0.00 C ATOM 439 CG LYS A 33 46.203 -4.336 -21.108 1.00 0.00 C ATOM 440 CD LYS A 33 46.417 -2.892 -20.647 1.00 0.00 C ATOM 441 CE LYS A 33 46.193 -2.796 -19.137 1.00 0.00 C ATOM 442 NZ LYS A 33 46.531 -1.422 -18.670 1.00 0.00 N ATOM 0 H LYS A 33 43.686 -7.605 -20.110 1.00 0.00 H new ATOM 0 HA LYS A 33 43.901 -5.644 -22.299 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.152 -4.073 -20.479 1.00 0.00 H new ATOM 0 HB3 LYS A 33 45.053 -5.216 -19.504 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.038 -4.959 -20.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.174 -4.380 -22.197 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.427 -2.566 -20.896 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.729 -2.227 -21.170 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.155 -3.028 -18.897 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.811 -3.530 -18.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.379 -1.357 -17.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.528 -1.217 -18.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.923 -0.731 -19.155 1.00 0.00 H new ATOM 456 N GLU A 34 45.836 -7.943 -21.004 1.00 0.00 N ATOM 457 CA GLU A 34 46.983 -8.836 -21.332 1.00 0.00 C ATOM 458 C GLU A 34 46.783 -9.519 -22.690 1.00 0.00 C ATOM 459 O GLU A 34 47.735 -9.859 -23.363 1.00 0.00 O ATOM 460 CB GLU A 34 47.117 -9.905 -20.245 1.00 0.00 C ATOM 461 CG GLU A 34 45.960 -10.900 -20.358 1.00 0.00 C ATOM 462 CD GLU A 34 45.858 -11.712 -19.065 1.00 0.00 C ATOM 463 OE1 GLU A 34 46.046 -11.133 -18.009 1.00 0.00 O ATOM 464 OE2 GLU A 34 45.594 -12.900 -19.154 1.00 0.00 O ATOM 0 H GLU A 34 45.335 -8.180 -20.148 1.00 0.00 H new ATOM 0 HA GLU A 34 47.887 -8.230 -21.382 1.00 0.00 H new ATOM 0 HB2 GLU A 34 48.069 -10.426 -20.348 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.114 -9.439 -19.260 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.026 -10.369 -20.541 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.120 -11.565 -21.206 1.00 0.00 H new ATOM 471 N ALA A 35 45.563 -9.743 -23.091 1.00 0.00 N ATOM 472 CA ALA A 35 45.329 -10.424 -24.391 1.00 0.00 C ATOM 473 C ALA A 35 44.929 -9.416 -25.468 1.00 0.00 C ATOM 474 O ALA A 35 45.461 -9.425 -26.557 1.00 0.00 O ATOM 475 CB ALA A 35 44.221 -11.467 -24.228 1.00 0.00 C ATOM 0 H ALA A 35 44.722 -9.484 -22.576 1.00 0.00 H new ATOM 0 HA ALA A 35 46.254 -10.911 -24.700 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.049 -11.967 -25.181 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.521 -12.202 -23.481 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.303 -10.975 -23.905 1.00 0.00 H new ATOM 481 N LEU A 36 43.991 -8.559 -25.181 1.00 0.00 N ATOM 482 CA LEU A 36 43.553 -7.559 -26.200 1.00 0.00 C ATOM 483 C LEU A 36 44.725 -6.663 -26.586 1.00 0.00 C ATOM 484 O LEU A 36 44.845 -6.242 -27.720 1.00 0.00 O ATOM 485 CB LEU A 36 42.420 -6.706 -25.631 1.00 0.00 C ATOM 486 CG LEU A 36 42.750 -6.311 -24.198 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.266 -4.892 -23.940 1.00 0.00 C ATOM 488 CD2 LEU A 36 42.033 -7.261 -23.241 1.00 0.00 C ATOM 0 H LEU A 36 43.507 -8.506 -24.285 1.00 0.00 H new ATOM 0 HA LEU A 36 43.199 -8.085 -27.086 1.00 0.00 H new ATOM 0 HB2 LEU A 36 42.280 -5.814 -26.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.483 -7.262 -25.659 1.00 0.00 H new ATOM 0 HG LEU A 36 43.827 -6.366 -24.043 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.502 -4.608 -22.914 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.761 -4.208 -24.629 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.188 -4.842 -24.092 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.265 -6.984 -22.212 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.957 -7.195 -23.401 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.365 -8.283 -23.426 1.00 0.00 H new ATOM 500 N GLU A 37 45.593 -6.362 -25.662 1.00 0.00 N ATOM 501 CA GLU A 37 46.742 -5.496 -25.996 1.00 0.00 C ATOM 502 C GLU A 37 47.940 -6.362 -26.387 1.00 0.00 C ATOM 503 O GLU A 37 49.026 -5.873 -26.629 1.00 0.00 O ATOM 504 CB GLU A 37 47.090 -4.613 -24.804 1.00 0.00 C ATOM 505 CG GLU A 37 46.073 -3.476 -24.731 1.00 0.00 C ATOM 506 CD GLU A 37 46.780 -2.144 -25.000 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.349 -1.600 -24.068 1.00 0.00 O ATOM 508 OE2 GLU A 37 46.741 -1.693 -26.132 1.00 0.00 O ATOM 0 H GLU A 37 45.552 -6.680 -24.694 1.00 0.00 H new ATOM 0 HA GLU A 37 46.480 -4.855 -26.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.074 -5.196 -23.883 1.00 0.00 H new ATOM 0 HB3 GLU A 37 48.098 -4.213 -24.910 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.281 -3.634 -25.463 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.601 -3.458 -23.749 1.00 0.00 H new ATOM 515 N GLN A 38 47.734 -7.645 -26.482 1.00 0.00 N ATOM 516 CA GLN A 38 48.811 -8.558 -26.884 1.00 0.00 C ATOM 517 C GLN A 38 48.748 -8.655 -28.400 1.00 0.00 C ATOM 518 O GLN A 38 49.717 -8.451 -29.103 1.00 0.00 O ATOM 519 CB GLN A 38 48.549 -9.929 -26.266 1.00 0.00 C ATOM 520 CG GLN A 38 49.436 -10.956 -26.948 1.00 0.00 C ATOM 521 CD GLN A 38 50.886 -10.682 -26.550 1.00 0.00 C ATOM 522 OE1 GLN A 38 51.475 -9.610 -27.002 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 51.489 -11.450 -25.826 1.00 0.00 N flip ATOM 0 H GLN A 38 46.840 -8.098 -26.291 1.00 0.00 H new ATOM 0 HA GLN A 38 49.789 -8.207 -26.555 1.00 0.00 H new ATOM 0 HB2 GLN A 38 48.755 -9.905 -25.196 1.00 0.00 H new ATOM 0 HB3 GLN A 38 47.500 -10.201 -26.383 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.146 -11.964 -26.652 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.322 -10.896 -28.030 1.00 0.00 H new ATOM 0 HE21 GLN A 38 51.027 -12.288 -25.473 1.00 0.00 H new ATOM 0 HE22 GLN A 38 52.457 -11.256 -25.571 1.00 0.00 H new ATOM 532 N PHE A 39 47.581 -8.934 -28.906 1.00 0.00 N ATOM 533 CA PHE A 39 47.418 -9.013 -30.373 1.00 0.00 C ATOM 534 C PHE A 39 47.126 -7.618 -30.930 1.00 0.00 C ATOM 535 O PHE A 39 47.755 -7.170 -31.867 1.00 0.00 O ATOM 536 CB PHE A 39 46.281 -9.960 -30.766 1.00 0.00 C ATOM 537 CG PHE A 39 45.471 -10.421 -29.573 1.00 0.00 C ATOM 538 CD1 PHE A 39 44.344 -9.699 -29.147 1.00 0.00 C ATOM 539 CD2 PHE A 39 45.830 -11.605 -28.914 1.00 0.00 C ATOM 540 CE1 PHE A 39 43.587 -10.164 -28.064 1.00 0.00 C ATOM 541 CE2 PHE A 39 45.068 -12.068 -27.837 1.00 0.00 C ATOM 542 CZ PHE A 39 43.947 -11.348 -27.412 1.00 0.00 C ATOM 0 H PHE A 39 46.736 -9.110 -28.363 1.00 0.00 H new ATOM 0 HA PHE A 39 48.345 -9.403 -30.792 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.623 -9.458 -31.475 1.00 0.00 H new ATOM 0 HB3 PHE A 39 46.696 -10.829 -31.277 1.00 0.00 H new ATOM 0 HD1 PHE A 39 44.062 -8.788 -29.653 1.00 0.00 H new ATOM 0 HD2 PHE A 39 46.697 -12.161 -29.239 1.00 0.00 H new ATOM 0 HE1 PHE A 39 42.723 -9.607 -27.732 1.00 0.00 H new ATOM 0 HE2 PHE A 39 45.345 -12.982 -27.333 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.359 -11.706 -26.580 1.00 0.00 H new ATOM 552 N GLY A 40 46.176 -6.928 -30.363 1.00 0.00 N ATOM 553 CA GLY A 40 45.845 -5.564 -30.866 1.00 0.00 C ATOM 554 C GLY A 40 44.331 -5.442 -31.023 1.00 0.00 C ATOM 555 O GLY A 40 43.774 -5.770 -32.052 1.00 0.00 O ATOM 0 H GLY A 40 45.615 -7.248 -29.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.213 -4.808 -30.172 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.338 -5.386 -31.822 1.00 0.00 H new ATOM 559 N MET A 41 43.658 -4.985 -30.005 1.00 0.00 N ATOM 560 CA MET A 41 42.176 -4.855 -30.089 1.00 0.00 C ATOM 561 C MET A 41 41.653 -4.165 -28.830 1.00 0.00 C ATOM 562 O MET A 41 40.538 -4.393 -28.403 1.00 0.00 O ATOM 563 CB MET A 41 41.567 -6.245 -30.161 1.00 0.00 C ATOM 564 CG MET A 41 41.964 -7.010 -28.902 1.00 0.00 C ATOM 565 SD MET A 41 40.490 -7.330 -27.906 1.00 0.00 S ATOM 566 CE MET A 41 40.492 -9.131 -28.064 1.00 0.00 C ATOM 0 H MET A 41 44.070 -4.696 -29.118 1.00 0.00 H new ATOM 0 HA MET A 41 41.910 -4.272 -30.971 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.482 -6.180 -30.239 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.920 -6.768 -31.050 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.446 -7.950 -29.171 1.00 0.00 H new ATOM 0 HG3 MET A 41 42.688 -6.434 -28.326 1.00 0.00 H new ATOM 0 HE1 MET A 41 39.465 -9.496 -28.084 1.00 0.00 H new ATOM 0 HE2 MET A 41 40.996 -9.415 -28.988 1.00 0.00 H new ATOM 0 HE3 MET A 41 41.017 -9.570 -27.215 1.00 0.00 H new ATOM 576 N TYR A 42 42.454 -3.348 -28.218 1.00 0.00 N ATOM 577 CA TYR A 42 42.014 -2.671 -26.972 1.00 0.00 C ATOM 578 C TYR A 42 41.701 -1.200 -27.263 1.00 0.00 C ATOM 579 O TYR A 42 41.841 -0.343 -26.412 1.00 0.00 O ATOM 580 CB TYR A 42 43.154 -2.784 -25.962 1.00 0.00 C ATOM 581 CG TYR A 42 42.722 -2.240 -24.619 1.00 0.00 C ATOM 582 CD1 TYR A 42 41.373 -2.270 -24.241 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.679 -1.716 -23.743 1.00 0.00 C ATOM 584 CE1 TYR A 42 40.986 -1.776 -22.992 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.291 -1.221 -22.494 1.00 0.00 C ATOM 586 CZ TYR A 42 41.945 -1.251 -22.119 1.00 0.00 C ATOM 587 OH TYR A 42 41.562 -0.761 -20.887 1.00 0.00 O ATOM 0 H TYR A 42 43.398 -3.118 -28.527 1.00 0.00 H new ATOM 0 HA TYR A 42 41.111 -3.135 -26.576 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.456 -3.826 -25.860 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.024 -2.234 -26.322 1.00 0.00 H new ATOM 0 HD1 TYR A 42 40.632 -2.675 -24.915 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.719 -1.694 -24.032 1.00 0.00 H new ATOM 0 HE1 TYR A 42 39.946 -1.800 -22.701 1.00 0.00 H new ATOM 0 HE2 TYR A 42 44.031 -0.816 -21.820 1.00 0.00 H new ATOM 0 HH TYR A 42 41.807 0.186 -20.821 1.00 0.00 H new ATOM 597 N SER A 43 41.298 -0.901 -28.469 1.00 0.00 N ATOM 598 CA SER A 43 41.001 0.514 -28.833 1.00 0.00 C ATOM 599 C SER A 43 39.488 0.733 -28.954 1.00 0.00 C ATOM 600 O SER A 43 38.762 -0.119 -29.428 1.00 0.00 O ATOM 601 CB SER A 43 41.656 0.824 -30.181 1.00 0.00 C ATOM 602 OG SER A 43 40.877 0.263 -31.226 1.00 0.00 O ATOM 0 H SER A 43 41.161 -1.578 -29.220 1.00 0.00 H new ATOM 0 HA SER A 43 41.392 1.170 -28.055 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.742 1.902 -30.316 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.667 0.417 -30.208 1.00 0.00 H new ATOM 0 HG SER A 43 41.295 0.463 -32.089 1.00 0.00 H new ATOM 608 N GLU A 44 39.012 1.876 -28.541 1.00 0.00 N ATOM 609 CA GLU A 44 37.556 2.169 -28.643 1.00 0.00 C ATOM 610 C GLU A 44 37.067 1.879 -30.061 1.00 0.00 C ATOM 611 O GLU A 44 36.187 1.082 -30.264 1.00 0.00 O ATOM 612 CB GLU A 44 37.301 3.640 -28.307 1.00 0.00 C ATOM 613 CG GLU A 44 38.375 4.511 -28.958 1.00 0.00 C ATOM 614 CD GLU A 44 38.991 5.438 -27.907 1.00 0.00 C ATOM 615 OE1 GLU A 44 38.241 6.168 -27.278 1.00 0.00 O ATOM 616 OE2 GLU A 44 40.199 5.403 -27.750 1.00 0.00 O ATOM 0 H GLU A 44 39.574 2.624 -28.135 1.00 0.00 H new ATOM 0 HA GLU A 44 37.015 1.537 -27.939 1.00 0.00 H new ATOM 0 HB2 GLU A 44 36.314 3.938 -28.661 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.309 3.783 -27.226 1.00 0.00 H new ATOM 0 HG2 GLU A 44 39.148 3.883 -29.401 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.940 5.099 -29.766 1.00 0.00 H new ATOM 623 N ASP A 45 37.615 2.523 -31.048 1.00 0.00 N ATOM 624 CA ASP A 45 37.154 2.279 -32.437 1.00 0.00 C ATOM 625 C ASP A 45 37.128 0.775 -32.740 1.00 0.00 C ATOM 626 O ASP A 45 36.353 0.312 -33.553 1.00 0.00 O ATOM 627 CB ASP A 45 38.095 2.982 -33.397 1.00 0.00 C ATOM 628 CG ASP A 45 37.431 3.110 -34.768 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.375 2.117 -35.474 1.00 0.00 O ATOM 630 OD2 ASP A 45 36.988 4.201 -35.089 1.00 0.00 O ATOM 0 H ASP A 45 38.364 3.209 -30.952 1.00 0.00 H new ATOM 0 HA ASP A 45 36.143 2.669 -32.554 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.351 3.969 -33.013 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.026 2.422 -33.484 1.00 0.00 H new ATOM 635 N ALA A 46 37.971 0.009 -32.100 1.00 0.00 N ATOM 636 CA ALA A 46 37.994 -1.463 -32.361 1.00 0.00 C ATOM 637 C ALA A 46 36.752 -2.125 -31.772 1.00 0.00 C ATOM 638 O ALA A 46 35.851 -2.528 -32.481 1.00 0.00 O ATOM 639 CB ALA A 46 39.243 -2.074 -31.723 1.00 0.00 C ATOM 0 H ALA A 46 38.645 0.337 -31.408 1.00 0.00 H new ATOM 0 HA ALA A 46 38.008 -1.630 -33.438 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.261 -3.147 -31.913 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.133 -1.615 -32.153 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.227 -1.896 -30.648 1.00 0.00 H new ATOM 645 N ILE A 47 36.707 -2.253 -30.482 1.00 0.00 N ATOM 646 CA ILE A 47 35.539 -2.900 -29.828 1.00 0.00 C ATOM 647 C ILE A 47 34.266 -2.116 -30.121 1.00 0.00 C ATOM 648 O ILE A 47 33.167 -2.583 -29.904 1.00 0.00 O ATOM 649 CB ILE A 47 35.786 -2.921 -28.335 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.653 -3.665 -27.635 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.842 -1.492 -27.798 1.00 0.00 C ATOM 652 CD1 ILE A 47 34.768 -3.437 -26.128 1.00 0.00 C ATOM 0 H ILE A 47 37.436 -1.935 -29.843 1.00 0.00 H new ATOM 0 HA ILE A 47 35.416 -3.913 -30.211 1.00 0.00 H new ATOM 0 HB ILE A 47 36.734 -3.424 -28.143 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.688 -3.310 -27.997 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.706 -4.730 -27.860 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.020 -1.514 -26.723 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.651 -0.950 -28.289 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.895 -0.991 -27.999 1.00 0.00 H new ATOM 0 HD11 ILE A 47 33.962 -3.965 -25.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.729 -3.813 -25.775 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.695 -2.371 -25.915 1.00 0.00 H new ATOM 664 N ILE A 48 34.412 -0.931 -30.612 1.00 0.00 N ATOM 665 CA ILE A 48 33.223 -0.099 -30.928 1.00 0.00 C ATOM 666 C ILE A 48 32.559 -0.666 -32.190 1.00 0.00 C ATOM 667 O ILE A 48 31.349 -0.700 -32.308 1.00 0.00 O ATOM 668 CB ILE A 48 33.674 1.352 -31.138 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.847 2.032 -29.776 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.627 2.120 -31.931 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.362 3.458 -29.979 1.00 0.00 C ATOM 0 H ILE A 48 35.311 -0.493 -30.812 1.00 0.00 H new ATOM 0 HA ILE A 48 32.500 -0.117 -30.113 1.00 0.00 H new ATOM 0 HB ILE A 48 34.617 1.349 -31.685 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.896 2.050 -29.243 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.546 1.466 -29.161 1.00 0.00 H new ATOM 0 HG21 ILE A 48 32.960 3.148 -32.073 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.487 1.647 -32.903 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.683 2.116 -31.386 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.485 3.942 -29.010 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.322 3.428 -30.494 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.646 4.022 -30.578 1.00 0.00 H new ATOM 683 N TYR A 49 33.347 -1.149 -33.113 1.00 0.00 N ATOM 684 CA TYR A 49 32.775 -1.760 -34.349 1.00 0.00 C ATOM 685 C TYR A 49 32.588 -3.256 -34.104 1.00 0.00 C ATOM 686 O TYR A 49 31.900 -3.940 -34.829 1.00 0.00 O ATOM 687 CB TYR A 49 33.732 -1.554 -35.520 1.00 0.00 C ATOM 688 CG TYR A 49 33.137 -2.197 -36.745 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.252 -3.579 -36.939 1.00 0.00 C ATOM 690 CD2 TYR A 49 32.461 -1.412 -37.684 1.00 0.00 C ATOM 691 CE1 TYR A 49 32.691 -4.174 -38.072 1.00 0.00 C ATOM 692 CE2 TYR A 49 31.901 -2.006 -38.817 1.00 0.00 C ATOM 693 CZ TYR A 49 32.015 -3.388 -39.013 1.00 0.00 C ATOM 694 OH TYR A 49 31.461 -3.974 -40.132 1.00 0.00 O ATOM 0 H TYR A 49 34.366 -1.147 -33.064 1.00 0.00 H new ATOM 0 HA TYR A 49 31.820 -1.292 -34.587 1.00 0.00 H new ATOM 0 HB2 TYR A 49 33.895 -0.490 -35.693 1.00 0.00 H new ATOM 0 HB3 TYR A 49 34.704 -1.994 -35.296 1.00 0.00 H new ATOM 0 HD1 TYR A 49 33.774 -4.185 -36.213 1.00 0.00 H new ATOM 0 HD2 TYR A 49 32.372 -0.346 -37.533 1.00 0.00 H new ATOM 0 HE1 TYR A 49 32.779 -5.240 -38.222 1.00 0.00 H new ATOM 0 HE2 TYR A 49 31.380 -1.399 -39.543 1.00 0.00 H new ATOM 0 HH TYR A 49 31.028 -3.287 -40.681 1.00 0.00 H new ATOM 704 N GLN A 50 33.189 -3.765 -33.071 1.00 0.00 N ATOM 705 CA GLN A 50 33.032 -5.207 -32.760 1.00 0.00 C ATOM 706 C GLN A 50 31.798 -5.355 -31.858 1.00 0.00 C ATOM 707 O GLN A 50 31.243 -6.424 -31.714 1.00 0.00 O ATOM 708 CB GLN A 50 34.327 -5.696 -32.079 1.00 0.00 C ATOM 709 CG GLN A 50 34.064 -6.807 -31.054 1.00 0.00 C ATOM 710 CD GLN A 50 34.178 -8.174 -31.732 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.169 -8.404 -32.551 1.00 0.00 O flip ATOM 712 NE2 GLN A 50 33.360 -9.044 -31.515 1.00 0.00 N flip ATOM 0 H GLN A 50 33.784 -3.243 -32.427 1.00 0.00 H new ATOM 0 HA GLN A 50 32.878 -5.815 -33.651 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.018 -6.062 -32.838 1.00 0.00 H new ATOM 0 HB3 GLN A 50 34.814 -4.856 -31.584 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.780 -6.736 -30.235 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.071 -6.687 -30.621 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.585 -8.867 -30.876 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.448 -9.952 -31.972 1.00 0.00 H new ATOM 721 N VAL A 51 31.357 -4.268 -31.268 1.00 0.00 N ATOM 722 CA VAL A 51 30.152 -4.308 -30.385 1.00 0.00 C ATOM 723 C VAL A 51 28.897 -3.954 -31.194 1.00 0.00 C ATOM 724 O VAL A 51 27.851 -4.570 -31.062 1.00 0.00 O ATOM 725 CB VAL A 51 30.306 -3.256 -29.290 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.001 -3.145 -28.502 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.440 -3.656 -28.345 1.00 0.00 C ATOM 0 H VAL A 51 31.786 -3.348 -31.363 1.00 0.00 H new ATOM 0 HA VAL A 51 30.058 -5.308 -29.962 1.00 0.00 H new ATOM 0 HB VAL A 51 30.540 -2.294 -29.746 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.111 -2.394 -27.720 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.194 -2.854 -29.174 1.00 0.00 H new ATOM 0 HG13 VAL A 51 28.766 -4.108 -28.049 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.546 -2.902 -27.565 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.211 -4.620 -27.890 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.372 -3.732 -28.906 1.00 0.00 H new ATOM 737 N GLN A 52 28.997 -2.944 -32.019 1.00 0.00 N ATOM 738 CA GLN A 52 27.829 -2.502 -32.831 1.00 0.00 C ATOM 739 C GLN A 52 27.400 -3.607 -33.774 1.00 0.00 C ATOM 740 O GLN A 52 26.370 -3.524 -34.413 1.00 0.00 O ATOM 741 CB GLN A 52 28.232 -1.307 -33.671 1.00 0.00 C ATOM 742 CG GLN A 52 27.383 -0.086 -33.313 1.00 0.00 C ATOM 743 CD GLN A 52 27.402 0.897 -34.485 1.00 0.00 C ATOM 744 OE1 GLN A 52 26.398 1.505 -34.802 1.00 0.00 O ATOM 745 NE2 GLN A 52 28.512 1.080 -35.146 1.00 0.00 N ATOM 0 H GLN A 52 29.849 -2.402 -32.165 1.00 0.00 H new ATOM 0 HA GLN A 52 27.011 -2.248 -32.157 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.287 -1.083 -33.511 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.113 -1.542 -34.729 1.00 0.00 H new ATOM 0 HG2 GLN A 52 26.360 -0.391 -33.094 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.772 0.392 -32.414 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.354 0.570 -34.880 1.00 0.00 H new ATOM 0 HE22 GLN A 52 28.538 1.733 -35.929 1.00 0.00 H new ATOM 754 N HIS A 53 28.185 -4.632 -33.899 1.00 0.00 N ATOM 755 CA HIS A 53 27.816 -5.705 -34.828 1.00 0.00 C ATOM 756 C HIS A 53 28.547 -6.963 -34.417 1.00 0.00 C ATOM 757 O HIS A 53 28.905 -7.777 -35.244 1.00 0.00 O ATOM 758 CB HIS A 53 28.264 -5.359 -36.237 1.00 0.00 C ATOM 759 CG HIS A 53 28.664 -3.912 -36.365 1.00 0.00 C ATOM 760 ND1 HIS A 53 29.494 -3.116 -35.613 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 28.235 -3.121 -37.419 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 29.585 -1.854 -36.195 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 28.808 -1.911 -37.278 1.00 0.00 N flip ATOM 0 H HIS A 53 29.062 -4.766 -33.396 1.00 0.00 H new ATOM 0 HA HIS A 53 26.735 -5.839 -34.804 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.106 -5.993 -36.515 1.00 0.00 H new ATOM 0 HB3 HIS A 53 27.457 -5.575 -36.937 1.00 0.00 H new ATOM 0 HD1 HIS A 53 29.971 -3.405 -34.759 1.00 0.00 H new ATOM 0 HD2 HIS A 53 27.563 -3.421 -38.210 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.161 -1.010 -35.845 1.00 0.00 H new ATOM 771 N GLY A 54 28.806 -7.126 -33.155 1.00 0.00 N ATOM 772 CA GLY A 54 29.550 -8.323 -32.741 1.00 0.00 C ATOM 773 C GLY A 54 30.779 -8.426 -33.622 1.00 0.00 C ATOM 774 O GLY A 54 31.482 -7.463 -33.854 1.00 0.00 O ATOM 0 H GLY A 54 28.536 -6.488 -32.406 1.00 0.00 H new ATOM 0 HA2 GLY A 54 29.836 -8.252 -31.692 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.930 -9.214 -32.843 1.00 0.00 H new ATOM 778 N LYS A 55 30.994 -9.591 -34.114 1.00 0.00 N ATOM 779 CA LYS A 55 32.147 -9.878 -35.022 1.00 0.00 C ATOM 780 C LYS A 55 32.542 -11.342 -34.868 1.00 0.00 C ATOM 781 O LYS A 55 32.798 -11.812 -33.779 1.00 0.00 O ATOM 782 CB LYS A 55 33.344 -8.995 -34.676 1.00 0.00 C ATOM 783 CG LYS A 55 33.582 -7.953 -35.785 1.00 0.00 C ATOM 784 CD LYS A 55 32.256 -7.436 -36.371 1.00 0.00 C ATOM 785 CE LYS A 55 32.193 -7.776 -37.861 1.00 0.00 C ATOM 786 NZ LYS A 55 30.833 -7.466 -38.387 1.00 0.00 N ATOM 0 H LYS A 55 30.402 -10.400 -33.926 1.00 0.00 H new ATOM 0 HA LYS A 55 31.848 -9.669 -36.049 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.169 -8.490 -33.726 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.234 -9.611 -34.550 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.153 -7.116 -35.382 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.183 -8.397 -36.579 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.413 -7.888 -35.848 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.178 -6.358 -36.229 1.00 0.00 H new ATOM 0 HE2 LYS A 55 32.944 -7.205 -38.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 32.421 -8.831 -38.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 30.791 -7.698 -39.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 30.125 -8.030 -37.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 30.632 -6.454 -38.255 1.00 0.00 H new ATOM 800 N ASN A 56 32.580 -12.064 -35.953 1.00 0.00 N ATOM 801 CA ASN A 56 32.942 -13.507 -35.887 1.00 0.00 C ATOM 802 C ASN A 56 31.816 -14.275 -35.184 1.00 0.00 C ATOM 803 O ASN A 56 30.959 -14.854 -35.823 1.00 0.00 O ATOM 804 CB ASN A 56 34.257 -13.684 -35.121 1.00 0.00 C ATOM 805 CG ASN A 56 35.337 -12.806 -35.753 1.00 0.00 C ATOM 806 OD1 ASN A 56 35.611 -11.647 -35.220 1.00 0.00 O flip ATOM 807 ND2 ASN A 56 35.941 -13.179 -36.740 1.00 0.00 N flip ATOM 0 H ASN A 56 32.374 -11.714 -36.889 1.00 0.00 H new ATOM 0 HA ASN A 56 33.073 -13.897 -36.897 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.120 -13.413 -34.074 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.565 -14.729 -35.142 1.00 0.00 H new ATOM 0 HD21 ASN A 56 35.727 -14.085 -37.157 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.662 -12.586 -37.151 1.00 0.00 H new ATOM 814 N ALA A 57 31.800 -14.278 -33.877 1.00 0.00 N ATOM 815 CA ALA A 57 30.721 -14.998 -33.144 1.00 0.00 C ATOM 816 C ALA A 57 30.108 -14.060 -32.102 1.00 0.00 C ATOM 817 O ALA A 57 29.407 -14.485 -31.206 1.00 0.00 O ATOM 818 CB ALA A 57 31.307 -16.223 -32.441 1.00 0.00 C ATOM 0 H ALA A 57 32.489 -13.812 -33.286 1.00 0.00 H new ATOM 0 HA ALA A 57 29.953 -15.318 -33.848 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.516 -16.748 -31.905 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.749 -16.890 -33.181 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.074 -15.905 -31.735 1.00 0.00 H new ATOM 824 N MET A 58 30.370 -12.785 -32.212 1.00 0.00 N ATOM 825 CA MET A 58 29.805 -11.818 -31.228 1.00 0.00 C ATOM 826 C MET A 58 28.435 -11.327 -31.728 1.00 0.00 C ATOM 827 O MET A 58 28.238 -11.160 -32.914 1.00 0.00 O ATOM 828 CB MET A 58 30.779 -10.646 -31.069 1.00 0.00 C ATOM 829 CG MET A 58 30.267 -9.706 -29.986 1.00 0.00 C ATOM 830 SD MET A 58 31.399 -8.318 -29.763 1.00 0.00 S ATOM 831 CE MET A 58 30.288 -7.316 -28.747 1.00 0.00 C ATOM 0 H MET A 58 30.951 -12.372 -32.941 1.00 0.00 H new ATOM 0 HA MET A 58 29.668 -12.297 -30.259 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.770 -11.016 -30.806 1.00 0.00 H new ATOM 0 HB3 MET A 58 30.878 -10.111 -32.013 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.278 -9.336 -30.256 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.159 -10.249 -29.047 1.00 0.00 H new ATOM 0 HE1 MET A 58 30.873 -6.614 -28.153 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.604 -6.764 -29.392 1.00 0.00 H new ATOM 0 HE3 MET A 58 29.717 -7.965 -28.083 1.00 0.00 H new ATOM 841 N PRO A 59 27.517 -11.150 -30.803 1.00 0.00 N ATOM 842 CA PRO A 59 26.137 -10.721 -31.113 1.00 0.00 C ATOM 843 C PRO A 59 25.997 -9.240 -31.493 1.00 0.00 C ATOM 844 O PRO A 59 25.867 -8.376 -30.647 1.00 0.00 O ATOM 845 CB PRO A 59 25.371 -11.029 -29.821 1.00 0.00 C ATOM 846 CG PRO A 59 26.414 -11.103 -28.691 1.00 0.00 C ATOM 847 CD PRO A 59 27.767 -11.369 -29.360 1.00 0.00 C ATOM 0 HA PRO A 59 25.761 -11.240 -31.995 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.633 -10.254 -29.615 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.829 -11.970 -29.908 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.438 -10.172 -28.125 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.167 -11.898 -27.987 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.535 -10.694 -28.983 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.112 -12.385 -29.167 1.00 0.00 H new ATOM 855 N ALA A 60 25.965 -8.956 -32.773 1.00 0.00 N ATOM 856 CA ALA A 60 25.768 -7.561 -33.243 1.00 0.00 C ATOM 857 C ALA A 60 24.610 -6.929 -32.478 1.00 0.00 C ATOM 858 O ALA A 60 23.488 -7.392 -32.545 1.00 0.00 O ATOM 859 CB ALA A 60 25.415 -7.605 -34.733 1.00 0.00 C ATOM 0 H ALA A 60 26.069 -9.646 -33.517 1.00 0.00 H new ATOM 0 HA ALA A 60 26.673 -6.976 -33.080 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.265 -6.590 -35.102 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.228 -8.076 -35.286 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.500 -8.181 -34.873 1.00 0.00 H new ATOM 865 N PHE A 61 24.858 -5.872 -31.757 1.00 0.00 N ATOM 866 CA PHE A 61 23.758 -5.232 -31.015 1.00 0.00 C ATOM 867 C PHE A 61 23.086 -4.208 -31.922 1.00 0.00 C ATOM 868 O PHE A 61 21.881 -4.212 -32.076 1.00 0.00 O ATOM 869 CB PHE A 61 24.312 -4.558 -29.762 1.00 0.00 C ATOM 870 CG PHE A 61 24.690 -5.629 -28.768 1.00 0.00 C ATOM 871 CD1 PHE A 61 23.693 -6.412 -28.176 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.035 -5.849 -28.451 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.041 -7.414 -27.262 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.383 -6.853 -27.539 1.00 0.00 C ATOM 875 CZ PHE A 61 25.386 -7.635 -26.944 1.00 0.00 C ATOM 0 H PHE A 61 25.772 -5.432 -31.655 1.00 0.00 H new ATOM 0 HA PHE A 61 23.024 -5.977 -30.710 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.181 -3.950 -30.012 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.567 -3.888 -29.332 1.00 0.00 H new ATOM 0 HD1 PHE A 61 22.655 -6.244 -28.424 1.00 0.00 H new ATOM 0 HD2 PHE A 61 26.804 -5.245 -28.909 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.271 -8.016 -26.802 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.421 -7.024 -27.295 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.655 -8.409 -26.240 1.00 0.00 H new ATOM 885 N ALA A 62 23.871 -3.353 -32.536 1.00 0.00 N ATOM 886 CA ALA A 62 23.318 -2.313 -33.463 1.00 0.00 C ATOM 887 C ALA A 62 21.889 -1.945 -33.059 1.00 0.00 C ATOM 888 O ALA A 62 21.021 -1.776 -33.891 1.00 0.00 O ATOM 889 CB ALA A 62 23.314 -2.859 -34.892 1.00 0.00 C ATOM 0 H ALA A 62 24.885 -3.332 -32.432 1.00 0.00 H new ATOM 0 HA ALA A 62 23.943 -1.422 -33.406 1.00 0.00 H new ATOM 0 HB1 ALA A 62 22.912 -2.105 -35.569 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.333 -3.108 -35.189 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.694 -3.754 -34.938 1.00 0.00 H new ATOM 895 N GLY A 63 21.638 -1.836 -31.785 1.00 0.00 N ATOM 896 CA GLY A 63 20.265 -1.498 -31.325 1.00 0.00 C ATOM 897 C GLY A 63 20.165 -1.733 -29.818 1.00 0.00 C ATOM 898 O GLY A 63 19.354 -1.134 -29.139 1.00 0.00 O ATOM 0 H GLY A 63 22.325 -1.967 -31.043 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.037 -0.458 -31.558 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.532 -2.111 -31.850 1.00 0.00 H new ATOM 902 N ARG A 64 20.999 -2.585 -29.283 1.00 0.00 N ATOM 903 CA ARG A 64 20.965 -2.836 -27.821 1.00 0.00 C ATOM 904 C ARG A 64 21.986 -1.908 -27.183 1.00 0.00 C ATOM 905 O ARG A 64 21.827 -1.451 -26.069 1.00 0.00 O ATOM 906 CB ARG A 64 21.333 -4.295 -27.534 1.00 0.00 C ATOM 907 CG ARG A 64 21.046 -4.613 -26.064 1.00 0.00 C ATOM 908 CD ARG A 64 22.184 -4.073 -25.196 1.00 0.00 C ATOM 909 NE ARG A 64 21.630 -3.130 -24.181 1.00 0.00 N ATOM 910 CZ ARG A 64 20.678 -3.524 -23.378 1.00 0.00 C ATOM 911 NH1 ARG A 64 20.373 -4.790 -23.297 1.00 0.00 N ATOM 912 NH2 ARG A 64 20.031 -2.650 -22.655 1.00 0.00 N ATOM 0 H ARG A 64 21.701 -3.116 -29.799 1.00 0.00 H new ATOM 0 HA ARG A 64 19.969 -2.652 -27.418 1.00 0.00 H new ATOM 0 HB2 ARG A 64 20.759 -4.960 -28.180 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.386 -4.466 -27.755 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.099 -4.165 -25.762 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.948 -5.690 -25.926 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.700 -4.896 -24.701 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.920 -3.564 -25.818 1.00 0.00 H new ATOM 0 HE ARG A 64 21.994 -2.179 -24.114 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.878 -5.473 -23.861 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.629 -5.096 -22.670 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.269 -1.660 -22.717 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.288 -2.957 -22.028 1.00 0.00 H new ATOM 926 N LEU A 65 23.029 -1.610 -27.906 1.00 0.00 N ATOM 927 CA LEU A 65 24.062 -0.696 -27.381 1.00 0.00 C ATOM 928 C LEU A 65 23.703 0.726 -27.805 1.00 0.00 C ATOM 929 O LEU A 65 24.025 1.150 -28.897 1.00 0.00 O ATOM 930 CB LEU A 65 25.417 -1.070 -27.978 1.00 0.00 C ATOM 931 CG LEU A 65 26.156 -2.053 -27.064 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.840 -1.276 -25.940 1.00 0.00 C ATOM 933 CD2 LEU A 65 25.173 -3.064 -26.465 1.00 0.00 C ATOM 0 H LEU A 65 23.205 -1.967 -28.845 1.00 0.00 H new ATOM 0 HA LEU A 65 24.113 -0.767 -26.295 1.00 0.00 H new ATOM 0 HB2 LEU A 65 25.276 -1.516 -28.963 1.00 0.00 H new ATOM 0 HB3 LEU A 65 26.019 -0.172 -28.118 1.00 0.00 H new ATOM 0 HG LEU A 65 26.901 -2.593 -27.648 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.368 -1.971 -25.286 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.551 -0.569 -26.367 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.090 -0.734 -25.364 1.00 0.00 H new ATOM 0 HD21 LEU A 65 25.712 -3.756 -25.818 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.418 -2.536 -25.883 1.00 0.00 H new ATOM 0 HD23 LEU A 65 24.689 -3.620 -27.268 1.00 0.00 H new ATOM 945 N THR A 66 23.023 1.452 -26.958 1.00 0.00 N ATOM 946 CA THR A 66 22.632 2.850 -27.303 1.00 0.00 C ATOM 947 C THR A 66 23.805 3.536 -28.012 1.00 0.00 C ATOM 948 O THR A 66 24.900 3.025 -28.037 1.00 0.00 O ATOM 949 CB THR A 66 22.276 3.612 -26.016 1.00 0.00 C ATOM 950 OG1 THR A 66 21.059 3.102 -25.487 1.00 0.00 O ATOM 951 CG2 THR A 66 22.110 5.095 -26.329 1.00 0.00 C ATOM 0 H THR A 66 22.720 1.135 -26.037 1.00 0.00 H new ATOM 0 HA THR A 66 21.765 2.843 -27.963 1.00 0.00 H new ATOM 0 HB THR A 66 23.075 3.483 -25.286 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.831 3.585 -24.666 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.858 5.634 -25.416 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.042 5.487 -26.736 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.312 5.226 -27.059 1.00 0.00 H new ATOM 959 N ASP A 67 23.596 4.682 -28.596 1.00 0.00 N ATOM 960 CA ASP A 67 24.720 5.365 -29.297 1.00 0.00 C ATOM 961 C ASP A 67 25.857 5.575 -28.299 1.00 0.00 C ATOM 962 O ASP A 67 26.945 5.035 -28.442 1.00 0.00 O ATOM 963 CB ASP A 67 24.263 6.720 -29.855 1.00 0.00 C ATOM 964 CG ASP A 67 23.163 7.315 -28.973 1.00 0.00 C ATOM 965 OD1 ASP A 67 22.014 6.950 -29.162 1.00 0.00 O ATOM 966 OD2 ASP A 67 23.488 8.131 -28.125 1.00 0.00 O ATOM 0 H ASP A 67 22.702 5.173 -28.619 1.00 0.00 H new ATOM 0 HA ASP A 67 25.057 4.749 -30.131 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.110 7.405 -29.904 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.894 6.596 -30.873 1.00 0.00 H new ATOM 971 N GLU A 68 25.590 6.319 -27.260 1.00 0.00 N ATOM 972 CA GLU A 68 26.614 6.568 -26.204 1.00 0.00 C ATOM 973 C GLU A 68 27.049 5.249 -25.552 1.00 0.00 C ATOM 974 O GLU A 68 27.813 5.247 -24.622 1.00 0.00 O ATOM 975 CB GLU A 68 25.997 7.461 -25.129 1.00 0.00 C ATOM 976 CG GLU A 68 25.387 8.701 -25.786 1.00 0.00 C ATOM 977 CD GLU A 68 25.858 9.955 -25.046 1.00 0.00 C ATOM 978 OE1 GLU A 68 26.441 9.809 -23.984 1.00 0.00 O ATOM 979 OE2 GLU A 68 25.629 11.040 -25.555 1.00 0.00 O ATOM 0 H GLU A 68 24.691 6.772 -27.096 1.00 0.00 H new ATOM 0 HA GLU A 68 27.483 7.044 -26.657 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.231 6.913 -24.581 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.757 7.756 -24.406 1.00 0.00 H new ATOM 0 HG2 GLU A 68 25.682 8.752 -26.834 1.00 0.00 H new ATOM 0 HG3 GLU A 68 24.299 8.640 -25.763 1.00 0.00 H new ATOM 986 N GLN A 69 26.551 4.140 -26.029 1.00 0.00 N ATOM 987 CA GLN A 69 26.898 2.800 -25.467 1.00 0.00 C ATOM 988 C GLN A 69 27.892 2.127 -26.396 1.00 0.00 C ATOM 989 O GLN A 69 28.901 1.616 -25.974 1.00 0.00 O ATOM 990 CB GLN A 69 25.636 1.960 -25.408 1.00 0.00 C ATOM 991 CG GLN A 69 25.130 1.882 -23.975 1.00 0.00 C ATOM 992 CD GLN A 69 24.525 3.208 -23.570 1.00 0.00 C ATOM 993 OE1 GLN A 69 25.279 4.251 -23.517 1.00 0.00 O flip ATOM 994 NE2 GLN A 69 23.349 3.290 -23.273 1.00 0.00 N flip ATOM 0 H GLN A 69 25.897 4.106 -26.811 1.00 0.00 H new ATOM 0 HA GLN A 69 27.327 2.905 -24.471 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.870 2.394 -26.050 1.00 0.00 H new ATOM 0 HB3 GLN A 69 25.838 0.958 -25.786 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.386 1.090 -23.885 1.00 0.00 H new ATOM 0 HG3 GLN A 69 25.950 1.626 -23.304 1.00 0.00 H new ATOM 0 HE21 GLN A 69 22.753 2.463 -23.316 1.00 0.00 H new ATOM 0 HE22 GLN A 69 22.958 4.186 -22.981 1.00 0.00 H new ATOM 1003 N ILE A 70 27.665 2.163 -27.680 1.00 0.00 N ATOM 1004 CA ILE A 70 28.676 1.560 -28.574 1.00 0.00 C ATOM 1005 C ILE A 70 29.982 2.251 -28.226 1.00 0.00 C ATOM 1006 O ILE A 70 31.061 1.743 -28.438 1.00 0.00 O ATOM 1007 CB ILE A 70 28.330 1.818 -30.038 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.932 1.272 -30.339 1.00 0.00 C ATOM 1009 CG2 ILE A 70 29.360 1.115 -30.924 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.947 -0.254 -30.235 1.00 0.00 C ATOM 0 H ILE A 70 26.848 2.572 -28.133 1.00 0.00 H new ATOM 0 HA ILE A 70 28.729 0.479 -28.443 1.00 0.00 H new ATOM 0 HB ILE A 70 28.344 2.890 -30.237 1.00 0.00 H new ATOM 0 HG12 ILE A 70 26.209 1.688 -29.637 1.00 0.00 H new ATOM 0 HG13 ILE A 70 26.618 1.576 -31.338 1.00 0.00 H new ATOM 0 HG21 ILE A 70 29.121 1.294 -31.972 1.00 0.00 H new ATOM 0 HG22 ILE A 70 30.354 1.506 -30.707 1.00 0.00 H new ATOM 0 HG23 ILE A 70 29.340 0.043 -30.725 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.952 -0.643 -30.449 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.658 -0.661 -30.954 1.00 0.00 H new ATOM 0 HD13 ILE A 70 27.242 -0.547 -29.227 1.00 0.00 H new ATOM 1022 N GLN A 71 29.856 3.423 -27.658 1.00 0.00 N ATOM 1023 CA GLN A 71 31.018 4.208 -27.240 1.00 0.00 C ATOM 1024 C GLN A 71 31.331 3.878 -25.792 1.00 0.00 C ATOM 1025 O GLN A 71 32.352 3.323 -25.467 1.00 0.00 O ATOM 1026 CB GLN A 71 30.629 5.676 -27.324 1.00 0.00 C ATOM 1027 CG GLN A 71 30.766 6.167 -28.767 1.00 0.00 C ATOM 1028 CD GLN A 71 29.753 5.444 -29.658 1.00 0.00 C ATOM 1029 OE1 GLN A 71 30.007 4.353 -30.128 1.00 0.00 O ATOM 1030 NE2 GLN A 71 28.607 6.014 -29.914 1.00 0.00 N ATOM 0 H GLN A 71 28.958 3.868 -27.468 1.00 0.00 H new ATOM 0 HA GLN A 71 31.882 3.992 -27.868 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.603 5.810 -26.980 1.00 0.00 H new ATOM 0 HB3 GLN A 71 31.265 6.268 -26.667 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.601 7.243 -28.812 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.778 5.984 -29.129 1.00 0.00 H new ATOM 0 HE21 GLN A 71 28.394 6.930 -29.519 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.925 5.543 -30.509 1.00 0.00 H new ATOM 1039 N ASP A 72 30.434 4.233 -24.928 1.00 0.00 N ATOM 1040 CA ASP A 72 30.612 3.967 -23.490 1.00 0.00 C ATOM 1041 C ASP A 72 30.996 2.514 -23.299 1.00 0.00 C ATOM 1042 O ASP A 72 32.032 2.214 -22.790 1.00 0.00 O ATOM 1043 CB ASP A 72 29.295 4.218 -22.771 1.00 0.00 C ATOM 1044 CG ASP A 72 29.137 5.714 -22.489 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.148 6.389 -22.395 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.006 6.158 -22.373 1.00 0.00 O ATOM 0 H ASP A 72 29.564 4.708 -25.168 1.00 0.00 H new ATOM 0 HA ASP A 72 31.389 4.618 -23.090 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.464 3.863 -23.380 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.267 3.657 -21.837 1.00 0.00 H new ATOM 1051 N VAL A 73 30.152 1.612 -23.690 1.00 0.00 N ATOM 1052 CA VAL A 73 30.463 0.173 -23.513 1.00 0.00 C ATOM 1053 C VAL A 73 31.911 -0.106 -23.956 1.00 0.00 C ATOM 1054 O VAL A 73 32.568 -1.004 -23.466 1.00 0.00 O ATOM 1055 CB VAL A 73 29.495 -0.669 -24.349 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.937 -0.694 -25.812 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.497 -2.089 -23.810 1.00 0.00 C ATOM 0 H VAL A 73 29.252 1.810 -24.128 1.00 0.00 H new ATOM 0 HA VAL A 73 30.354 -0.091 -22.461 1.00 0.00 H new ATOM 0 HB VAL A 73 28.497 -0.235 -24.288 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.239 -1.297 -26.393 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.953 0.323 -26.205 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.935 -1.126 -25.883 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.812 -2.701 -24.396 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.503 -2.503 -23.879 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.178 -2.083 -22.768 1.00 0.00 H new ATOM 1067 N ALA A 74 32.406 0.659 -24.891 1.00 0.00 N ATOM 1068 CA ALA A 74 33.812 0.452 -25.371 1.00 0.00 C ATOM 1069 C ALA A 74 34.761 1.120 -24.375 1.00 0.00 C ATOM 1070 O ALA A 74 35.421 0.463 -23.610 1.00 0.00 O ATOM 1071 CB ALA A 74 33.989 1.078 -26.757 1.00 0.00 C ATOM 0 H ALA A 74 31.901 1.420 -25.346 1.00 0.00 H new ATOM 0 HA ALA A 74 34.030 -0.614 -25.443 1.00 0.00 H new ATOM 0 HB1 ALA A 74 35.013 0.923 -27.098 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.298 0.610 -27.458 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.782 2.147 -26.703 1.00 0.00 H new ATOM 1077 N ALA A 75 34.807 2.426 -24.340 1.00 0.00 N ATOM 1078 CA ALA A 75 35.679 3.104 -23.338 1.00 0.00 C ATOM 1079 C ALA A 75 35.456 2.410 -21.987 1.00 0.00 C ATOM 1080 O ALA A 75 36.314 2.370 -21.128 1.00 0.00 O ATOM 1081 CB ALA A 75 35.264 4.575 -23.235 1.00 0.00 C ATOM 0 H ALA A 75 34.283 3.047 -24.956 1.00 0.00 H new ATOM 0 HA ALA A 75 36.729 3.048 -23.627 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.895 5.081 -22.505 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.378 5.054 -24.207 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.223 4.638 -22.920 1.00 0.00 H new ATOM 1087 N TYR A 76 34.297 1.831 -21.845 1.00 0.00 N ATOM 1088 CA TYR A 76 33.926 1.083 -20.619 1.00 0.00 C ATOM 1089 C TYR A 76 34.943 -0.031 -20.455 1.00 0.00 C ATOM 1090 O TYR A 76 35.608 -0.120 -19.454 1.00 0.00 O ATOM 1091 CB TYR A 76 32.496 0.522 -20.834 1.00 0.00 C ATOM 1092 CG TYR A 76 31.984 -0.307 -19.693 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.809 -0.896 -18.745 1.00 0.00 C ATOM 1094 CD2 TYR A 76 30.636 -0.502 -19.620 1.00 0.00 C ATOM 1095 CE1 TYR A 76 32.268 -1.665 -17.725 1.00 0.00 C ATOM 1096 CE2 TYR A 76 30.106 -1.264 -18.603 1.00 0.00 C ATOM 1097 CZ TYR A 76 30.926 -1.846 -17.653 1.00 0.00 C ATOM 1098 OH TYR A 76 30.387 -2.598 -16.627 1.00 0.00 O ATOM 0 H TYR A 76 33.567 1.849 -22.557 1.00 0.00 H new ATOM 0 HA TYR A 76 33.928 1.702 -19.722 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.812 1.354 -21.000 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.487 -0.083 -21.741 1.00 0.00 H new ATOM 0 HD1 TYR A 76 33.878 -0.755 -18.802 1.00 0.00 H new ATOM 0 HD2 TYR A 76 29.985 -0.059 -20.359 1.00 0.00 H new ATOM 0 HE1 TYR A 76 32.915 -2.119 -16.989 1.00 0.00 H new ATOM 0 HE2 TYR A 76 29.037 -1.409 -18.546 1.00 0.00 H new ATOM 0 HH TYR A 76 30.495 -3.551 -16.828 1.00 0.00 H new ATOM 1108 N VAL A 77 35.089 -0.872 -21.430 1.00 0.00 N ATOM 1109 CA VAL A 77 36.095 -1.961 -21.303 1.00 0.00 C ATOM 1110 C VAL A 77 37.485 -1.331 -21.174 1.00 0.00 C ATOM 1111 O VAL A 77 38.393 -1.907 -20.607 1.00 0.00 O ATOM 1112 CB VAL A 77 36.045 -2.842 -22.548 1.00 0.00 C ATOM 1113 CG1 VAL A 77 36.097 -1.952 -23.768 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.240 -3.803 -22.574 1.00 0.00 C ATOM 0 H VAL A 77 34.563 -0.857 -22.304 1.00 0.00 H new ATOM 0 HA VAL A 77 35.881 -2.570 -20.424 1.00 0.00 H new ATOM 0 HB VAL A 77 35.126 -3.428 -22.539 1.00 0.00 H new ATOM 0 HG11 VAL A 77 36.062 -2.566 -24.668 1.00 0.00 H new ATOM 0 HG12 VAL A 77 35.245 -1.272 -23.759 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.022 -1.375 -23.758 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.188 -4.424 -23.469 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.167 -3.230 -22.583 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.215 -4.439 -21.689 1.00 0.00 H new ATOM 1124 N LEU A 78 37.652 -0.148 -21.697 1.00 0.00 N ATOM 1125 CA LEU A 78 38.981 0.529 -21.611 1.00 0.00 C ATOM 1126 C LEU A 78 39.179 1.085 -20.198 1.00 0.00 C ATOM 1127 O LEU A 78 40.252 1.518 -19.829 1.00 0.00 O ATOM 1128 CB LEU A 78 39.041 1.680 -22.622 1.00 0.00 C ATOM 1129 CG LEU A 78 38.419 1.256 -23.963 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.879 2.221 -25.057 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.864 -0.163 -24.324 1.00 0.00 C ATOM 0 H LEU A 78 36.927 0.381 -22.181 1.00 0.00 H new ATOM 0 HA LEU A 78 39.767 -0.192 -21.835 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.511 2.546 -22.227 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.077 1.983 -22.775 1.00 0.00 H new ATOM 0 HG LEU A 78 37.333 1.279 -23.877 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.441 1.925 -26.010 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.558 3.233 -24.808 1.00 0.00 H new ATOM 0 HD13 LEU A 78 39.966 2.194 -25.133 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.418 -0.453 -25.275 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.950 -0.193 -24.408 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.541 -0.855 -23.546 1.00 0.00 H new ATOM 1143 N ASP A 79 38.140 1.084 -19.413 1.00 0.00 N ATOM 1144 CA ASP A 79 38.211 1.608 -18.040 1.00 0.00 C ATOM 1145 C ASP A 79 38.366 0.441 -17.063 1.00 0.00 C ATOM 1146 O ASP A 79 39.137 0.486 -16.126 1.00 0.00 O ATOM 1147 CB ASP A 79 36.893 2.318 -17.747 1.00 0.00 C ATOM 1148 CG ASP A 79 37.149 3.549 -16.875 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.878 3.422 -15.905 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.611 4.598 -17.192 1.00 0.00 O ATOM 0 H ASP A 79 37.222 0.730 -19.682 1.00 0.00 H new ATOM 0 HA ASP A 79 39.056 2.289 -17.933 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.414 2.615 -18.680 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.208 1.638 -17.240 1.00 0.00 H new ATOM 1155 N GLN A 80 37.608 -0.593 -17.288 1.00 0.00 N ATOM 1156 CA GLN A 80 37.634 -1.791 -16.408 1.00 0.00 C ATOM 1157 C GLN A 80 38.972 -2.520 -16.520 1.00 0.00 C ATOM 1158 O GLN A 80 39.523 -2.980 -15.540 1.00 0.00 O ATOM 1159 CB GLN A 80 36.528 -2.726 -16.861 1.00 0.00 C ATOM 1160 CG GLN A 80 35.227 -1.945 -16.976 1.00 0.00 C ATOM 1161 CD GLN A 80 35.001 -1.129 -15.701 1.00 0.00 C ATOM 1162 OE1 GLN A 80 35.333 -1.568 -14.618 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.444 0.047 -15.787 1.00 0.00 N ATOM 0 H GLN A 80 36.953 -0.659 -18.067 1.00 0.00 H new ATOM 0 HA GLN A 80 37.495 -1.482 -15.372 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.784 -3.173 -17.822 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.413 -3.544 -16.150 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.264 -1.283 -17.841 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.393 -2.629 -17.134 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.166 0.414 -16.697 1.00 0.00 H new ATOM 0 HE22 GLN A 80 34.287 0.600 -14.944 1.00 0.00 H new ATOM 1172 N ALA A 81 39.493 -2.646 -17.707 1.00 0.00 N ATOM 1173 CA ALA A 81 40.786 -3.363 -17.868 1.00 0.00 C ATOM 1174 C ALA A 81 41.862 -2.633 -17.074 1.00 0.00 C ATOM 1175 O ALA A 81 42.627 -3.229 -16.342 1.00 0.00 O ATOM 1176 CB ALA A 81 41.177 -3.394 -19.345 1.00 0.00 C ATOM 0 H ALA A 81 39.082 -2.286 -18.568 1.00 0.00 H new ATOM 0 HA ALA A 81 40.685 -4.385 -17.502 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.125 -3.920 -19.460 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.404 -3.910 -19.915 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.281 -2.374 -19.715 1.00 0.00 H new ATOM 1182 N ALA A 82 41.925 -1.343 -17.219 1.00 0.00 N ATOM 1183 CA ALA A 82 42.944 -0.562 -16.487 1.00 0.00 C ATOM 1184 C ALA A 82 42.412 -0.181 -15.105 1.00 0.00 C ATOM 1185 O ALA A 82 43.017 0.597 -14.396 1.00 0.00 O ATOM 1186 CB ALA A 82 43.273 0.709 -17.272 1.00 0.00 C ATOM 0 H ALA A 82 41.308 -0.795 -17.819 1.00 0.00 H new ATOM 0 HA ALA A 82 43.844 -1.166 -16.372 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.025 1.286 -16.733 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.659 0.440 -18.255 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.370 1.309 -17.388 1.00 0.00 H new ATOM 1192 N LYS A 83 41.281 -0.711 -14.715 1.00 0.00 N ATOM 1193 CA LYS A 83 40.731 -0.350 -13.377 1.00 0.00 C ATOM 1194 C LYS A 83 40.361 -1.596 -12.586 1.00 0.00 C ATOM 1195 O LYS A 83 39.684 -1.517 -11.581 1.00 0.00 O ATOM 1196 CB LYS A 83 39.490 0.528 -13.549 1.00 0.00 C ATOM 1197 CG LYS A 83 38.903 0.854 -12.173 1.00 0.00 C ATOM 1198 CD LYS A 83 38.220 2.223 -12.220 1.00 0.00 C ATOM 1199 CE LYS A 83 37.054 2.248 -11.230 1.00 0.00 C ATOM 1200 NZ LYS A 83 35.790 1.901 -11.939 1.00 0.00 N ATOM 0 H LYS A 83 40.722 -1.369 -15.258 1.00 0.00 H new ATOM 0 HA LYS A 83 41.499 0.196 -12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 83 39.751 1.448 -14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 83 38.749 0.013 -14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 83 38.185 0.087 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.692 0.855 -11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 83 38.936 3.007 -11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.859 2.426 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 83 37.235 1.540 -10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 83 36.969 3.236 -10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 34.998 1.918 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 35.616 2.592 -12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 35.873 0.950 -12.351 1.00 0.00 H new ATOM 1214 N GLY A 84 40.780 -2.745 -13.014 1.00 0.00 N ATOM 1215 CA GLY A 84 40.419 -3.958 -12.256 1.00 0.00 C ATOM 1216 C GLY A 84 39.000 -4.337 -12.636 1.00 0.00 C ATOM 1217 O GLY A 84 38.070 -4.122 -11.890 1.00 0.00 O ATOM 0 H GLY A 84 41.350 -2.895 -13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.107 -4.772 -12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.491 -3.774 -11.184 1.00 0.00 H new ATOM 1221 N TRP A 85 38.856 -4.917 -13.793 1.00 0.00 N ATOM 1222 CA TRP A 85 37.514 -5.371 -14.282 1.00 0.00 C ATOM 1223 C TRP A 85 36.683 -5.848 -13.090 1.00 0.00 C ATOM 1224 O TRP A 85 36.723 -6.999 -12.703 1.00 0.00 O ATOM 1225 CB TRP A 85 37.669 -6.529 -15.274 1.00 0.00 C ATOM 1226 CG TRP A 85 37.591 -6.045 -16.685 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.612 -6.049 -17.572 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.444 -5.507 -17.390 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.156 -5.540 -18.776 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.825 -5.197 -18.712 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.124 -5.261 -17.011 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 35.921 -4.660 -19.627 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.210 -4.714 -17.931 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.606 -4.415 -19.232 1.00 0.00 C ATOM 0 H TRP A 85 39.625 -5.102 -14.438 1.00 0.00 H new ATOM 0 HA TRP A 85 37.020 -4.538 -14.782 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.625 -7.027 -15.110 1.00 0.00 H new ATOM 0 HB3 TRP A 85 36.889 -7.270 -15.097 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.617 -6.392 -17.374 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.736 -5.432 -19.608 1.00 0.00 H new ATOM 0 HE3 TRP A 85 34.802 -5.492 -16.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.237 -4.435 -20.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.192 -4.524 -17.625 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.898 -3.995 -19.932 1.00 0.00 H new ATOM 1245 N ALA A 86 35.939 -4.953 -12.505 1.00 0.00 N ATOM 1246 CA ALA A 86 35.105 -5.313 -11.332 1.00 0.00 C ATOM 1247 C ALA A 86 34.203 -6.491 -11.692 1.00 0.00 C ATOM 1248 O ALA A 86 33.966 -7.374 -10.892 1.00 0.00 O ATOM 1249 CB ALA A 86 34.245 -4.111 -10.931 1.00 0.00 C ATOM 0 H ALA A 86 35.874 -3.977 -12.795 1.00 0.00 H new ATOM 0 HA ALA A 86 35.749 -5.592 -10.498 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.632 -4.374 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 86 34.891 -3.271 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.600 -3.831 -11.764 1.00 0.00 H new ATOM 1255 N GLY A 87 33.701 -6.509 -12.895 1.00 0.00 N ATOM 1256 CA GLY A 87 32.814 -7.625 -13.319 1.00 0.00 C ATOM 1257 C GLY A 87 31.830 -7.957 -12.195 1.00 0.00 C ATOM 1258 O GLY A 87 31.086 -7.073 -11.805 1.00 0.00 O ATOM 1259 OXT GLY A 87 31.839 -9.090 -11.742 1.00 0.00 O ATOM 0 H GLY A 87 33.868 -5.796 -13.605 1.00 0.00 H new ATOM 0 HA2 GLY A 87 32.270 -7.347 -14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 87 33.411 -8.504 -13.564 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.139 -9.673 -27.230 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.026 -10.338 -28.848 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.422 -6.745 -26.137 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.188 -8.959 -25.759 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.010 -12.763 -27.985 1.00 0.00 C HETATM 1269 NA HEC A 88 33.843 -8.745 -27.449 1.00 0.00 N HETATM 1270 C1A HEC A 88 34.935 -9.147 -28.177 1.00 0.00 C HETATM 1271 C2A HEC A 88 36.009 -8.199 -28.086 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.588 -7.213 -27.269 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.233 -7.547 -26.900 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.402 -6.078 -26.745 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.306 -8.268 -28.805 1.00 0.00 C HETATM 1276 CBA HEC A 88 37.200 -7.699 -30.217 1.00 0.00 C HETATM 1277 CGA HEC A 88 38.352 -8.252 -31.050 1.00 0.00 C HETATM 1278 O1A HEC A 88 39.528 -8.075 -30.633 1.00 0.00 O HETATM 1279 O2A HEC A 88 38.070 -8.856 -32.120 1.00 0.00 O HETATM 1280 NB HEC A 88 31.443 -8.162 -26.203 1.00 0.00 N HETATM 1281 C1B HEC A 88 32.114 -7.031 -25.802 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.262 -6.169 -25.014 1.00 0.00 C HETATM 1283 C3B HEC A 88 30.048 -6.762 -24.972 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.178 -8.004 -25.690 1.00 0.00 C HETATM 1285 CMB HEC A 88 31.678 -4.945 -24.263 1.00 0.00 C HETATM 1286 CAB HEC A 88 28.763 -6.085 -24.655 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.483 -4.979 -25.669 1.00 0.00 C HETATM 1288 NC HEC A 88 30.472 -10.648 -26.923 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.330 -10.197 -26.322 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.308 -11.212 -26.295 1.00 0.00 C HETATM 1291 C3C HEC A 88 28.835 -12.311 -26.883 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.171 -11.938 -27.279 1.00 0.00 C HETATM 1293 CMC HEC A 88 26.938 -11.071 -25.717 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.430 -13.710 -26.593 1.00 0.00 C HETATM 1295 CBC HEC A 88 27.132 -14.068 -27.315 1.00 0.00 C HETATM 1296 ND HEC A 88 32.853 -11.205 -28.216 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.258 -12.423 -28.436 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.096 -13.284 -29.239 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.213 -12.580 -29.513 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.057 -11.303 -28.868 1.00 0.00 C HETATM 1301 CMD HEC A 88 32.779 -14.670 -29.690 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.365 -13.008 -30.357 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.123 -12.714 -31.839 1.00 0.00 C HETATM 1304 CGD HEC A 88 36.427 -12.211 -32.441 1.00 0.00 C HETATM 1305 O1D HEC A 88 36.986 -12.922 -33.318 1.00 0.00 O HETATM 1306 O2D HEC A 88 36.884 -11.111 -32.031 1.00 0.00 O HETATM 0 HMD3 HEC A 88 32.622 -15.308 -28.821 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 31.875 -14.657 -30.299 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 33.608 -15.059 -30.281 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 27.013 -10.836 -24.655 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.408 -10.268 -26.229 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.392 -12.006 -25.844 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.427 -5.213 -23.517 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 32.101 -4.218 -24.957 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 30.810 -4.510 -23.767 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.238 -6.468 -26.163 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 36.784 -5.489 -27.579 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 35.780 -5.447 -26.109 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 34.787 -13.613 -32.355 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.337 -11.968 -31.955 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 26.336 -13.400 -26.986 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 27.273 -13.962 -28.391 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 26.860 -15.098 -27.084 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.288 -4.245 -25.639 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.421 -5.409 -26.669 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.539 -4.492 -25.425 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 36.244 -7.972 -30.664 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 37.240 -6.610 -30.191 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.268 -12.494 -30.027 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 35.538 -14.076 -30.222 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 38.062 -7.716 -28.246 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 37.640 -9.304 -28.854 1.00 0.00 H new HETATM 0 HHD HEC A 88 30.655 -13.770 -28.205 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.217 -8.709 -25.332 1.00 0.00 H new HETATM 0 HHB HEC A 88 33.843 -5.810 -25.767 1.00 0.00 H new HETATM 0 HHA HEC A 88 35.941 -10.531 -29.409 1.00 0.00 H new HETATM 0 H2D HEC A 88 36.275 -10.387 -32.289 1.00 0.00 H new HETATM 0 H2A HEC A 88 37.954 -9.812 -31.936 1.00 0.00 H new