USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=16 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 76 TYR OH : rot -99:sc= 1.2 USER MOD Set 1.2: A 80 GLN : amide:sc= -3.62! C(o=-2.4!,f=-6.8!) USER MOD Set 2.1: A 41 MET CE :methyl -152:sc= -0.69 (180deg=-2.91!) USER MOD Set 2.2: A 50 GLN : amide:sc= -11! C(o=-12!,f=-6.8!) USER MOD Set 2.3: A 88 HEC O2A : rot -37:sc= -0.254 USER MOD Set 3.1: A 26 MET CE :methyl -136:sc= 0 (180deg=0) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 160:sc= 0.303 (180deg=0) USER MOD Set 3.3: A 56 ASN : amide:sc= -2.75! K(o=-4!,f=2.4) USER MOD Set 3.4: A 88 HEC O2D : rot 165:sc= -1.53! USER MOD Set 4.1: A 8 LYS NZ :NH3+ -177:sc= -1.7 (180deg=-0.305) USER MOD Set 4.2: A 69 GLN : amide:sc= -11.4! C(o=-13!,f=-13!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.93 K(o=-1.9,f=-6.8!) USER MOD Single : A 11 SER OG : rot -82:sc= 1 USER MOD Single : A 13 ASN : amide:sc= -8.67! C(o=-8.7!,f=-6.2!) USER MOD Single : A 19 MET CE :methyl 166:sc= -0.0119 (180deg=-0.154) USER MOD Single : A 23 ASN : amide:sc= -5.69! C(o=-5.7!,f=-7.9!) USER MOD Single : A 28 ASN : amide:sc= -3.8! C(o=-3.8!,f=-8!) USER MOD Single : A 30 THR OG1 : rot -111:sc= -0.297 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 : amide:sc= -5.07! C(o=-5.1!,f=-2.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 43 SER OG : rot 180:sc= 0.184 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.14) USER MOD Single : A 53 HIS : no HE2:sc= -16.7! C(o=-17!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 166:sc= -7.85! (180deg=-8.65!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.19) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.025 9.387 -14.916 1.00 0.00 N ATOM 2 CA ALA A 1 31.274 10.549 -15.472 1.00 0.00 C ATOM 3 C ALA A 1 30.255 10.050 -16.498 1.00 0.00 C ATOM 4 O ALA A 1 29.077 10.335 -16.407 1.00 0.00 O ATOM 5 CB ALA A 1 32.251 11.512 -16.150 1.00 0.00 C ATOM 0 H1 ALA A 1 32.719 9.724 -14.218 1.00 0.00 H new ATOM 0 H2 ALA A 1 31.361 8.732 -14.456 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.520 8.893 -15.686 1.00 0.00 H new ATOM 0 HA ALA A 1 30.756 11.067 -14.665 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.702 12.361 -16.556 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.979 11.866 -15.420 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.770 10.995 -16.958 1.00 0.00 H new ATOM 13 N ASP A 2 30.698 9.306 -17.473 1.00 0.00 N ATOM 14 CA ASP A 2 29.751 8.792 -18.502 1.00 0.00 C ATOM 15 C ASP A 2 29.909 7.278 -18.648 1.00 0.00 C ATOM 16 O ASP A 2 28.991 6.593 -19.045 1.00 0.00 O ATOM 17 CB ASP A 2 30.042 9.449 -19.848 1.00 0.00 C ATOM 18 CG ASP A 2 29.779 10.953 -19.752 1.00 0.00 C ATOM 19 OD1 ASP A 2 28.694 11.319 -19.333 1.00 0.00 O ATOM 20 OD2 ASP A 2 30.669 11.713 -20.098 1.00 0.00 O ATOM 0 H ASP A 2 31.672 9.032 -17.602 1.00 0.00 H new ATOM 0 HA ASP A 2 28.734 9.027 -18.188 1.00 0.00 H new ATOM 0 HB2 ASP A 2 31.078 9.268 -20.136 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.414 9.008 -20.623 1.00 0.00 H new ATOM 25 N LEU A 3 31.064 6.748 -18.340 1.00 0.00 N ATOM 26 CA LEU A 3 31.258 5.276 -18.477 1.00 0.00 C ATOM 27 C LEU A 3 30.405 4.548 -17.439 1.00 0.00 C ATOM 28 O LEU A 3 30.302 3.337 -17.451 1.00 0.00 O ATOM 29 CB LEU A 3 32.732 4.913 -18.271 1.00 0.00 C ATOM 30 CG LEU A 3 33.623 5.970 -18.928 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.568 6.564 -17.880 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.444 5.320 -20.044 1.00 0.00 C ATOM 0 H LEU A 3 31.875 7.267 -18.002 1.00 0.00 H new ATOM 0 HA LEU A 3 30.955 4.973 -19.479 1.00 0.00 H new ATOM 0 HB2 LEU A 3 32.954 4.848 -17.206 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.938 3.933 -18.700 1.00 0.00 H new ATOM 0 HG LEU A 3 33.001 6.761 -19.346 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.203 7.317 -18.347 1.00 0.00 H new ATOM 0 HD12 LEU A 3 33.984 7.025 -17.084 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.191 5.773 -17.462 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.079 6.071 -20.513 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.066 4.529 -19.625 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.772 4.896 -20.790 1.00 0.00 H new ATOM 44 N ALA A 4 29.758 5.268 -16.563 1.00 0.00 N ATOM 45 CA ALA A 4 28.887 4.592 -15.579 1.00 0.00 C ATOM 46 C ALA A 4 27.827 3.885 -16.402 1.00 0.00 C ATOM 47 O ALA A 4 27.334 2.828 -16.061 1.00 0.00 O ATOM 48 CB ALA A 4 28.242 5.622 -14.650 1.00 0.00 C ATOM 0 H ALA A 4 29.798 6.285 -16.491 1.00 0.00 H new ATOM 0 HA ALA A 4 29.443 3.897 -14.950 1.00 0.00 H new ATOM 0 HB1 ALA A 4 27.603 5.112 -13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.020 6.171 -14.120 1.00 0.00 H new ATOM 0 HB3 ALA A 4 27.643 6.318 -15.238 1.00 0.00 H new ATOM 54 N ASN A 5 27.522 4.470 -17.526 1.00 0.00 N ATOM 55 CA ASN A 5 26.548 3.871 -18.456 1.00 0.00 C ATOM 56 C ASN A 5 27.224 2.665 -19.100 1.00 0.00 C ATOM 57 O ASN A 5 26.609 1.658 -19.384 1.00 0.00 O ATOM 58 CB ASN A 5 26.211 4.906 -19.526 1.00 0.00 C ATOM 59 CG ASN A 5 24.790 5.430 -19.306 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.033 4.865 -18.542 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.393 6.495 -19.948 1.00 0.00 N ATOM 0 H ASN A 5 27.919 5.356 -17.838 1.00 0.00 H new ATOM 0 HA ASN A 5 25.634 3.567 -17.946 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.923 5.730 -19.486 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.295 4.460 -20.517 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.448 6.852 -19.808 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.028 6.970 -20.590 1.00 0.00 H new ATOM 68 N GLY A 6 28.509 2.757 -19.307 1.00 0.00 N ATOM 69 CA GLY A 6 29.246 1.619 -19.905 1.00 0.00 C ATOM 70 C GLY A 6 28.922 0.372 -19.094 1.00 0.00 C ATOM 71 O GLY A 6 28.380 -0.574 -19.598 1.00 0.00 O ATOM 0 H GLY A 6 29.077 3.575 -19.086 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.956 1.482 -20.947 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.319 1.812 -19.895 1.00 0.00 H new ATOM 75 N ALA A 7 29.245 0.376 -17.832 1.00 0.00 N ATOM 76 CA ALA A 7 28.947 -0.807 -16.977 1.00 0.00 C ATOM 77 C ALA A 7 27.453 -1.123 -17.030 1.00 0.00 C ATOM 78 O ALA A 7 27.043 -2.246 -16.832 1.00 0.00 O ATOM 79 CB ALA A 7 29.341 -0.505 -15.528 1.00 0.00 C ATOM 0 H ALA A 7 29.705 1.151 -17.353 1.00 0.00 H new ATOM 0 HA ALA A 7 29.514 -1.662 -17.345 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.122 -1.371 -14.903 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.407 -0.282 -15.480 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.774 0.354 -15.168 1.00 0.00 H new ATOM 85 N LYS A 8 26.632 -0.143 -17.282 1.00 0.00 N ATOM 86 CA LYS A 8 25.170 -0.402 -17.341 1.00 0.00 C ATOM 87 C LYS A 8 24.882 -1.321 -18.530 1.00 0.00 C ATOM 88 O LYS A 8 23.998 -2.155 -18.489 1.00 0.00 O ATOM 89 CB LYS A 8 24.424 0.935 -17.497 1.00 0.00 C ATOM 90 CG LYS A 8 23.079 0.730 -18.215 1.00 0.00 C ATOM 91 CD LYS A 8 23.262 0.882 -19.732 1.00 0.00 C ATOM 92 CE LYS A 8 23.950 2.212 -20.045 1.00 0.00 C ATOM 93 NZ LYS A 8 23.115 2.997 -20.998 1.00 0.00 N ATOM 0 H LYS A 8 26.911 0.824 -17.449 1.00 0.00 H new ATOM 0 HA LYS A 8 24.830 -0.885 -16.425 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.254 1.378 -16.516 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.039 1.636 -18.061 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.683 -0.259 -17.986 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.351 1.456 -17.854 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.857 0.055 -20.120 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.293 0.838 -20.230 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.101 2.779 -19.127 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.936 2.031 -20.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.609 3.877 -21.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.950 2.436 -21.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.203 3.226 -20.553 1.00 0.00 H new ATOM 107 N VAL A 9 25.618 -1.161 -19.591 1.00 0.00 N ATOM 108 CA VAL A 9 25.399 -2.002 -20.798 1.00 0.00 C ATOM 109 C VAL A 9 26.230 -3.282 -20.710 1.00 0.00 C ATOM 110 O VAL A 9 25.737 -4.365 -20.953 1.00 0.00 O ATOM 111 CB VAL A 9 25.804 -1.187 -22.022 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.043 -2.098 -23.233 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.672 -0.213 -22.339 1.00 0.00 C ATOM 0 H VAL A 9 26.370 -0.477 -19.675 1.00 0.00 H new ATOM 0 HA VAL A 9 24.350 -2.290 -20.871 1.00 0.00 H new ATOM 0 HB VAL A 9 26.731 -0.653 -21.810 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.331 -1.493 -24.093 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.840 -2.805 -23.004 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.128 -2.644 -23.464 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.938 0.383 -23.212 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.759 -0.771 -22.545 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.510 0.446 -21.486 1.00 0.00 H new ATOM 123 N PHE A 10 27.484 -3.180 -20.379 1.00 0.00 N ATOM 124 CA PHE A 10 28.315 -4.402 -20.292 1.00 0.00 C ATOM 125 C PHE A 10 27.788 -5.297 -19.169 1.00 0.00 C ATOM 126 O PHE A 10 27.942 -6.501 -19.192 1.00 0.00 O ATOM 127 CB PHE A 10 29.764 -4.020 -19.996 1.00 0.00 C ATOM 128 CG PHE A 10 30.553 -5.285 -19.799 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.443 -5.966 -18.592 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.364 -5.795 -20.823 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.141 -7.152 -18.394 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.063 -6.991 -20.622 1.00 0.00 C ATOM 133 CZ PHE A 10 31.951 -7.670 -19.407 1.00 0.00 C ATOM 0 H PHE A 10 27.965 -2.306 -20.166 1.00 0.00 H new ATOM 0 HA PHE A 10 28.268 -4.937 -21.240 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.179 -3.437 -20.818 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.818 -3.396 -19.104 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.814 -5.573 -17.807 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.449 -5.268 -21.762 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.056 -7.675 -17.453 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.689 -7.389 -21.407 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.489 -8.593 -19.251 1.00 0.00 H new ATOM 143 N SER A 11 27.176 -4.712 -18.184 1.00 0.00 N ATOM 144 CA SER A 11 26.640 -5.514 -17.047 1.00 0.00 C ATOM 145 C SER A 11 25.190 -5.920 -17.332 1.00 0.00 C ATOM 146 O SER A 11 24.489 -6.403 -16.466 1.00 0.00 O ATOM 147 CB SER A 11 26.690 -4.677 -15.766 1.00 0.00 C ATOM 148 OG SER A 11 25.575 -3.800 -15.730 1.00 0.00 O ATOM 0 H SER A 11 27.021 -3.706 -18.114 1.00 0.00 H new ATOM 0 HA SER A 11 27.247 -6.411 -16.925 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.682 -5.329 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 11 27.617 -4.105 -15.728 1.00 0.00 H new ATOM 0 HG SER A 11 25.768 -3.003 -16.267 1.00 0.00 H new ATOM 154 N GLY A 12 24.736 -5.728 -18.540 1.00 0.00 N ATOM 155 CA GLY A 12 23.339 -6.100 -18.879 1.00 0.00 C ATOM 156 C GLY A 12 23.271 -6.688 -20.295 1.00 0.00 C ATOM 157 O GLY A 12 22.207 -7.001 -20.790 1.00 0.00 O ATOM 0 H GLY A 12 25.276 -5.328 -19.307 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.964 -6.827 -18.158 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.696 -5.223 -18.811 1.00 0.00 H new ATOM 161 N ASN A 13 24.391 -6.844 -20.948 1.00 0.00 N ATOM 162 CA ASN A 13 24.379 -7.415 -22.326 1.00 0.00 C ATOM 163 C ASN A 13 25.734 -8.062 -22.609 1.00 0.00 C ATOM 164 O ASN A 13 25.828 -9.235 -22.909 1.00 0.00 O ATOM 165 CB ASN A 13 24.134 -6.298 -23.344 1.00 0.00 C ATOM 166 CG ASN A 13 23.157 -5.278 -22.759 1.00 0.00 C ATOM 167 OD1 ASN A 13 21.984 -5.556 -22.606 1.00 0.00 O ATOM 168 ND2 ASN A 13 23.595 -4.096 -22.431 1.00 0.00 N ATOM 0 H ASN A 13 25.314 -6.601 -20.587 1.00 0.00 H new ATOM 0 HA ASN A 13 23.586 -8.159 -22.406 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.075 -5.811 -23.598 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.731 -6.715 -24.267 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.953 -3.403 -22.045 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.580 -3.863 -22.560 1.00 0.00 H new ATOM 175 N CYS A 14 26.785 -7.298 -22.510 1.00 0.00 N ATOM 176 CA CYS A 14 28.142 -7.849 -22.765 1.00 0.00 C ATOM 177 C CYS A 14 28.480 -8.885 -21.689 1.00 0.00 C ATOM 178 O CYS A 14 29.292 -9.766 -21.890 1.00 0.00 O ATOM 179 CB CYS A 14 29.157 -6.708 -22.707 1.00 0.00 C ATOM 180 SG CYS A 14 28.531 -5.288 -23.643 1.00 0.00 S ATOM 0 H CYS A 14 26.761 -6.309 -22.262 1.00 0.00 H new ATOM 0 HA CYS A 14 28.172 -8.323 -23.746 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.339 -6.422 -21.671 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.111 -7.036 -23.119 1.00 0.00 H new ATOM 185 N ALA A 15 27.870 -8.771 -20.544 1.00 0.00 N ATOM 186 CA ALA A 15 28.151 -9.732 -19.439 1.00 0.00 C ATOM 187 C ALA A 15 27.755 -11.154 -19.855 1.00 0.00 C ATOM 188 O ALA A 15 28.371 -12.121 -19.452 1.00 0.00 O ATOM 189 CB ALA A 15 27.349 -9.324 -18.200 1.00 0.00 C ATOM 0 H ALA A 15 27.184 -8.049 -20.323 1.00 0.00 H new ATOM 0 HA ALA A 15 29.218 -9.714 -19.216 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.551 -10.024 -17.389 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.640 -8.319 -17.893 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.285 -9.338 -18.435 1.00 0.00 H new ATOM 195 N ALA A 16 26.726 -11.292 -20.645 1.00 0.00 N ATOM 196 CA ALA A 16 26.289 -12.655 -21.068 1.00 0.00 C ATOM 197 C ALA A 16 27.401 -13.355 -21.856 1.00 0.00 C ATOM 198 O ALA A 16 27.337 -14.541 -22.107 1.00 0.00 O ATOM 199 CB ALA A 16 25.041 -12.538 -21.946 1.00 0.00 C ATOM 0 H ALA A 16 26.169 -10.522 -21.016 1.00 0.00 H new ATOM 0 HA ALA A 16 26.065 -13.244 -20.179 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.720 -13.532 -22.256 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.242 -12.059 -21.381 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.271 -11.940 -22.827 1.00 0.00 H new ATOM 205 N CYS A 17 28.416 -12.638 -22.252 1.00 0.00 N ATOM 206 CA CYS A 17 29.518 -13.279 -23.026 1.00 0.00 C ATOM 207 C CYS A 17 30.869 -12.748 -22.549 1.00 0.00 C ATOM 208 O CYS A 17 31.839 -12.746 -23.280 1.00 0.00 O ATOM 209 CB CYS A 17 29.355 -12.956 -24.503 1.00 0.00 C ATOM 210 SG CYS A 17 29.369 -14.489 -25.480 1.00 0.00 S ATOM 0 H CYS A 17 28.531 -11.640 -22.075 1.00 0.00 H new ATOM 0 HA CYS A 17 29.476 -14.357 -22.873 1.00 0.00 H new ATOM 0 HB2 CYS A 17 28.420 -12.420 -24.665 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.160 -12.299 -24.831 1.00 0.00 H new ATOM 215 N HIS A 18 30.941 -12.298 -21.332 1.00 0.00 N ATOM 216 CA HIS A 18 32.230 -11.766 -20.813 1.00 0.00 C ATOM 217 C HIS A 18 32.221 -11.845 -19.286 1.00 0.00 C ATOM 218 O HIS A 18 32.924 -12.635 -18.690 1.00 0.00 O ATOM 219 CB HIS A 18 32.385 -10.310 -21.257 1.00 0.00 C ATOM 220 CG HIS A 18 32.707 -10.260 -22.713 1.00 0.00 C ATOM 221 ND1 HIS A 18 33.999 -10.394 -23.161 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.931 -10.098 -23.829 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.974 -10.319 -24.495 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.736 -10.138 -24.962 1.00 0.00 N ATOM 0 H HIS A 18 30.164 -12.275 -20.672 1.00 0.00 H new ATOM 0 HA HIS A 18 33.063 -12.352 -21.202 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.465 -9.759 -21.059 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.176 -9.827 -20.683 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.827 -10.527 -22.581 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.860 -9.960 -23.829 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.851 -10.396 -25.121 1.00 0.00 H new ATOM 232 N MET A 19 31.412 -11.034 -18.666 1.00 0.00 N ATOM 233 CA MET A 19 31.297 -11.027 -17.174 1.00 0.00 C ATOM 234 C MET A 19 32.655 -11.286 -16.512 1.00 0.00 C ATOM 235 O MET A 19 33.121 -12.406 -16.431 1.00 0.00 O ATOM 236 CB MET A 19 30.305 -12.107 -16.736 1.00 0.00 C ATOM 237 CG MET A 19 30.433 -13.322 -17.655 1.00 0.00 C ATOM 238 SD MET A 19 29.341 -14.641 -17.067 1.00 0.00 S ATOM 239 CE MET A 19 30.622 -15.894 -16.813 1.00 0.00 C ATOM 0 H MET A 19 30.810 -10.359 -19.138 1.00 0.00 H new ATOM 0 HA MET A 19 30.945 -10.044 -16.862 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.500 -12.397 -15.703 1.00 0.00 H new ATOM 0 HB3 MET A 19 29.288 -11.717 -16.771 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.172 -13.047 -18.677 1.00 0.00 H new ATOM 0 HG3 MET A 19 31.466 -13.671 -17.673 1.00 0.00 H new ATOM 0 HE1 MET A 19 30.217 -16.713 -16.219 1.00 0.00 H new ATOM 0 HE2 MET A 19 30.955 -16.275 -17.778 1.00 0.00 H new ATOM 0 HE3 MET A 19 31.467 -15.449 -16.288 1.00 0.00 H new ATOM 249 N GLY A 20 33.284 -10.256 -16.015 1.00 0.00 N ATOM 250 CA GLY A 20 34.601 -10.440 -15.344 1.00 0.00 C ATOM 251 C GLY A 20 35.715 -10.214 -16.362 1.00 0.00 C ATOM 252 O GLY A 20 36.764 -10.823 -16.296 1.00 0.00 O ATOM 0 H GLY A 20 32.942 -9.295 -16.045 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.702 -9.740 -14.515 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.673 -11.444 -14.925 1.00 0.00 H new ATOM 256 N GLY A 21 35.492 -9.343 -17.307 1.00 0.00 N ATOM 257 CA GLY A 21 36.529 -9.074 -18.335 1.00 0.00 C ATOM 258 C GLY A 21 37.134 -10.401 -18.799 1.00 0.00 C ATOM 259 O GLY A 21 38.315 -10.496 -19.073 1.00 0.00 O ATOM 0 H GLY A 21 34.631 -8.805 -17.409 1.00 0.00 H new ATOM 0 HA2 GLY A 21 36.091 -8.545 -19.181 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.307 -8.430 -17.924 1.00 0.00 H new ATOM 263 N GLY A 22 36.333 -11.426 -18.884 1.00 0.00 N ATOM 264 CA GLY A 22 36.854 -12.749 -19.325 1.00 0.00 C ATOM 265 C GLY A 22 35.955 -13.310 -20.426 1.00 0.00 C ATOM 266 O GLY A 22 34.831 -13.704 -20.182 1.00 0.00 O ATOM 0 H GLY A 22 35.337 -11.404 -18.666 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.875 -12.646 -19.692 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.887 -13.438 -18.481 1.00 0.00 H new ATOM 270 N ASN A 23 36.438 -13.349 -21.637 1.00 0.00 N ATOM 271 CA ASN A 23 35.607 -13.885 -22.750 1.00 0.00 C ATOM 272 C ASN A 23 34.915 -15.169 -22.292 1.00 0.00 C ATOM 273 O ASN A 23 35.489 -15.979 -21.590 1.00 0.00 O ATOM 274 CB ASN A 23 36.499 -14.189 -23.956 1.00 0.00 C ATOM 275 CG ASN A 23 35.835 -13.658 -25.227 1.00 0.00 C ATOM 276 OD1 ASN A 23 35.334 -14.419 -26.030 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.811 -12.371 -25.447 1.00 0.00 N ATOM 0 H ASN A 23 37.371 -13.033 -21.903 1.00 0.00 H new ATOM 0 HA ASN A 23 34.857 -13.146 -23.032 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.477 -13.727 -23.824 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.662 -15.263 -24.040 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.372 -12.006 -26.292 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.231 -11.731 -24.774 1.00 0.00 H new ATOM 284 N VAL A 24 33.683 -15.363 -22.679 1.00 0.00 N ATOM 285 CA VAL A 24 32.958 -16.592 -22.263 1.00 0.00 C ATOM 286 C VAL A 24 32.809 -17.535 -23.459 1.00 0.00 C ATOM 287 O VAL A 24 32.229 -18.598 -23.356 1.00 0.00 O ATOM 288 CB VAL A 24 31.583 -16.211 -21.743 1.00 0.00 C ATOM 289 CG1 VAL A 24 30.751 -17.474 -21.526 1.00 0.00 C ATOM 290 CG2 VAL A 24 31.726 -15.455 -20.421 1.00 0.00 C ATOM 0 H VAL A 24 33.149 -14.722 -23.266 1.00 0.00 H new ATOM 0 HA VAL A 24 33.521 -17.096 -21.477 1.00 0.00 H new ATOM 0 HB VAL A 24 31.085 -15.571 -22.471 1.00 0.00 H new ATOM 0 HG11 VAL A 24 29.764 -17.200 -21.153 1.00 0.00 H new ATOM 0 HG12 VAL A 24 30.646 -18.008 -22.471 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.248 -18.117 -20.799 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.738 -15.182 -20.049 1.00 0.00 H new ATOM 0 HG22 VAL A 24 32.226 -16.091 -19.690 1.00 0.00 H new ATOM 0 HG23 VAL A 24 32.316 -14.552 -20.580 1.00 0.00 H new ATOM 300 N VAL A 25 33.324 -17.155 -24.598 1.00 0.00 N ATOM 301 CA VAL A 25 33.205 -18.033 -25.798 1.00 0.00 C ATOM 302 C VAL A 25 34.599 -18.455 -26.268 1.00 0.00 C ATOM 303 O VAL A 25 34.868 -19.623 -26.470 1.00 0.00 O ATOM 304 CB VAL A 25 32.502 -17.264 -26.920 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.425 -18.144 -28.169 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.087 -16.886 -26.473 1.00 0.00 C ATOM 0 H VAL A 25 33.821 -16.277 -24.749 1.00 0.00 H new ATOM 0 HA VAL A 25 32.626 -18.920 -25.542 1.00 0.00 H new ATOM 0 HB VAL A 25 33.064 -16.358 -27.147 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.925 -17.598 -28.969 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.432 -18.412 -28.488 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.863 -19.050 -27.942 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.587 -16.339 -27.272 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.523 -17.791 -26.245 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.142 -16.259 -25.583 1.00 0.00 H new ATOM 316 N MET A 26 35.485 -17.514 -26.450 1.00 0.00 N ATOM 317 CA MET A 26 36.859 -17.863 -26.913 1.00 0.00 C ATOM 318 C MET A 26 37.765 -18.127 -25.708 1.00 0.00 C ATOM 319 O MET A 26 37.366 -17.974 -24.571 1.00 0.00 O ATOM 320 CB MET A 26 37.432 -16.701 -27.727 1.00 0.00 C ATOM 321 CG MET A 26 37.134 -16.924 -29.211 1.00 0.00 C ATOM 322 SD MET A 26 38.421 -17.969 -29.937 1.00 0.00 S ATOM 323 CE MET A 26 38.052 -17.610 -31.673 1.00 0.00 C ATOM 0 H MET A 26 35.317 -16.519 -26.298 1.00 0.00 H new ATOM 0 HA MET A 26 36.810 -18.760 -27.531 1.00 0.00 H new ATOM 0 HB2 MET A 26 36.995 -15.759 -27.395 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.508 -16.627 -27.568 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.158 -17.395 -29.330 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.091 -15.967 -29.732 1.00 0.00 H new ATOM 0 HE1 MET A 26 38.071 -18.536 -32.248 1.00 0.00 H new ATOM 0 HE2 MET A 26 37.064 -17.156 -31.749 1.00 0.00 H new ATOM 0 HE3 MET A 26 38.799 -16.922 -32.069 1.00 0.00 H new ATOM 333 N ALA A 27 38.986 -18.519 -25.953 1.00 0.00 N ATOM 334 CA ALA A 27 39.927 -18.789 -24.829 1.00 0.00 C ATOM 335 C ALA A 27 41.145 -17.874 -24.965 1.00 0.00 C ATOM 336 O ALA A 27 42.276 -18.302 -24.843 1.00 0.00 O ATOM 337 CB ALA A 27 40.377 -20.251 -24.879 1.00 0.00 C ATOM 0 H ALA A 27 39.373 -18.664 -26.886 1.00 0.00 H new ATOM 0 HA ALA A 27 39.429 -18.598 -23.879 1.00 0.00 H new ATOM 0 HB1 ALA A 27 41.065 -20.448 -24.057 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.508 -20.903 -24.789 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.879 -20.445 -25.827 1.00 0.00 H new ATOM 343 N ASN A 28 40.921 -16.613 -25.213 1.00 0.00 N ATOM 344 CA ASN A 28 42.052 -15.663 -25.355 1.00 0.00 C ATOM 345 C ASN A 28 41.495 -14.253 -25.555 1.00 0.00 C ATOM 346 O ASN A 28 41.699 -13.373 -24.741 1.00 0.00 O ATOM 347 CB ASN A 28 42.912 -16.057 -26.559 1.00 0.00 C ATOM 348 CG ASN A 28 42.012 -16.582 -27.679 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.468 -17.664 -27.581 1.00 0.00 O ATOM 350 ND2 ASN A 28 41.832 -15.856 -28.748 1.00 0.00 N ATOM 0 H ASN A 28 39.995 -16.200 -25.324 1.00 0.00 H new ATOM 0 HA ASN A 28 42.669 -15.690 -24.457 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.482 -15.197 -26.909 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.634 -16.821 -26.270 1.00 0.00 H new ATOM 0 HD21 ASN A 28 41.235 -16.197 -29.501 1.00 0.00 H new ATOM 0 HD22 ASN A 28 42.289 -14.948 -28.830 1.00 0.00 H new ATOM 357 N LYS A 29 40.780 -14.033 -26.625 1.00 0.00 N ATOM 358 CA LYS A 29 40.197 -12.684 -26.863 1.00 0.00 C ATOM 359 C LYS A 29 39.362 -12.297 -25.643 1.00 0.00 C ATOM 360 O LYS A 29 38.224 -12.702 -25.503 1.00 0.00 O ATOM 361 CB LYS A 29 39.308 -12.731 -28.107 1.00 0.00 C ATOM 362 CG LYS A 29 39.895 -11.832 -29.197 1.00 0.00 C ATOM 363 CD LYS A 29 39.327 -12.250 -30.554 1.00 0.00 C ATOM 364 CE LYS A 29 40.333 -13.150 -31.272 1.00 0.00 C ATOM 365 NZ LYS A 29 39.611 -14.273 -31.935 1.00 0.00 N ATOM 0 H LYS A 29 40.575 -14.728 -27.343 1.00 0.00 H new ATOM 0 HA LYS A 29 40.987 -11.950 -27.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.230 -13.756 -28.471 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.299 -12.403 -27.857 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.653 -10.789 -28.994 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.982 -11.912 -29.204 1.00 0.00 H new ATOM 0 HD2 LYS A 29 38.383 -12.778 -30.418 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.115 -11.368 -31.159 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.889 -12.574 -32.012 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.060 -13.541 -30.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.211 -14.679 -32.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.389 -15.006 -31.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.728 -13.918 -32.356 1.00 0.00 H new ATOM 379 N THR A 30 39.923 -11.537 -24.742 1.00 0.00 N ATOM 380 CA THR A 30 39.168 -11.152 -23.517 1.00 0.00 C ATOM 381 C THR A 30 38.840 -9.653 -23.540 1.00 0.00 C ATOM 382 O THR A 30 38.970 -8.990 -24.550 1.00 0.00 O ATOM 383 CB THR A 30 40.021 -11.487 -22.288 1.00 0.00 C ATOM 384 OG1 THR A 30 39.187 -11.575 -21.141 1.00 0.00 O ATOM 385 CG2 THR A 30 41.077 -10.402 -22.072 1.00 0.00 C ATOM 0 H THR A 30 40.871 -11.166 -24.802 1.00 0.00 H new ATOM 0 HA THR A 30 38.229 -11.704 -23.478 1.00 0.00 H new ATOM 0 HB THR A 30 40.521 -12.442 -22.450 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.373 -10.821 -20.543 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.678 -10.648 -21.197 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.721 -10.341 -22.949 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.585 -9.442 -21.916 1.00 0.00 H new ATOM 393 N LEU A 31 38.408 -9.123 -22.427 1.00 0.00 N ATOM 394 CA LEU A 31 38.059 -7.674 -22.365 1.00 0.00 C ATOM 395 C LEU A 31 39.122 -6.924 -21.573 1.00 0.00 C ATOM 396 O LEU A 31 39.325 -5.739 -21.754 1.00 0.00 O ATOM 397 CB LEU A 31 36.708 -7.510 -21.656 1.00 0.00 C ATOM 398 CG LEU A 31 35.526 -7.559 -22.655 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.972 -6.152 -22.878 1.00 0.00 C ATOM 400 CD2 LEU A 31 35.950 -8.147 -24.010 1.00 0.00 C ATOM 0 H LEU A 31 38.281 -9.634 -21.554 1.00 0.00 H new ATOM 0 HA LEU A 31 38.004 -7.274 -23.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.589 -8.299 -20.913 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.692 -6.561 -21.119 1.00 0.00 H new ATOM 0 HG LEU A 31 34.760 -8.203 -22.222 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.141 -6.196 -23.582 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.623 -5.744 -21.929 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.756 -5.512 -23.282 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.093 -8.164 -24.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.739 -7.532 -24.443 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.319 -9.162 -23.866 1.00 0.00 H new ATOM 412 N LYS A 32 39.798 -7.594 -20.686 1.00 0.00 N ATOM 413 CA LYS A 32 40.834 -6.903 -19.878 1.00 0.00 C ATOM 414 C LYS A 32 41.695 -6.019 -20.784 1.00 0.00 C ATOM 415 O LYS A 32 41.392 -4.863 -20.999 1.00 0.00 O ATOM 416 CB LYS A 32 41.713 -7.938 -19.169 1.00 0.00 C ATOM 417 CG LYS A 32 41.012 -8.411 -17.895 1.00 0.00 C ATOM 418 CD LYS A 32 41.104 -9.936 -17.797 1.00 0.00 C ATOM 419 CE LYS A 32 42.538 -10.337 -17.448 1.00 0.00 C ATOM 420 NZ LYS A 32 42.835 -11.678 -18.027 1.00 0.00 N ATOM 0 H LYS A 32 39.678 -8.587 -20.486 1.00 0.00 H new ATOM 0 HA LYS A 32 40.347 -6.277 -19.130 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.902 -8.785 -19.829 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.682 -7.502 -18.924 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.474 -7.951 -17.021 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.968 -8.099 -17.905 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.416 -10.305 -17.036 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.807 -10.391 -18.742 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.238 -9.598 -17.837 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.667 -10.360 -16.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.810 -11.950 -17.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.174 -12.379 -17.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.728 -11.641 -19.061 1.00 0.00 H new ATOM 434 N LYS A 33 42.762 -6.540 -21.328 1.00 0.00 N ATOM 435 CA LYS A 33 43.611 -5.690 -22.215 1.00 0.00 C ATOM 436 C LYS A 33 44.796 -6.489 -22.780 1.00 0.00 C ATOM 437 O LYS A 33 45.336 -6.150 -23.814 1.00 0.00 O ATOM 438 CB LYS A 33 44.129 -4.494 -21.393 1.00 0.00 C ATOM 439 CG LYS A 33 45.488 -4.012 -21.924 1.00 0.00 C ATOM 440 CD LYS A 33 46.039 -2.924 -21.002 1.00 0.00 C ATOM 441 CE LYS A 33 46.675 -3.576 -19.774 1.00 0.00 C ATOM 442 NZ LYS A 33 47.495 -2.568 -19.046 1.00 0.00 N ATOM 0 H LYS A 33 43.080 -7.501 -21.201 1.00 0.00 H new ATOM 0 HA LYS A 33 43.013 -5.343 -23.058 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.407 -3.678 -21.436 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.224 -4.781 -20.346 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.187 -4.847 -21.977 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.378 -3.624 -22.937 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.777 -2.322 -21.532 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.238 -2.250 -20.697 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.901 -3.973 -19.118 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.298 -4.417 -20.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.928 -3.011 -18.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 48.242 -2.209 -19.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.888 -1.779 -18.744 1.00 0.00 H new ATOM 456 N GLU A 34 45.234 -7.512 -22.105 1.00 0.00 N ATOM 457 CA GLU A 34 46.406 -8.272 -22.601 1.00 0.00 C ATOM 458 C GLU A 34 46.062 -9.016 -23.892 1.00 0.00 C ATOM 459 O GLU A 34 46.746 -8.889 -24.885 1.00 0.00 O ATOM 460 CB GLU A 34 46.849 -9.273 -21.536 1.00 0.00 C ATOM 461 CG GLU A 34 46.811 -8.609 -20.158 1.00 0.00 C ATOM 462 CD GLU A 34 48.230 -8.538 -19.588 1.00 0.00 C ATOM 463 OE1 GLU A 34 48.963 -7.647 -19.985 1.00 0.00 O ATOM 464 OE2 GLU A 34 48.558 -9.376 -18.764 1.00 0.00 O ATOM 0 H GLU A 34 44.830 -7.853 -21.233 1.00 0.00 H new ATOM 0 HA GLU A 34 47.214 -7.571 -22.810 1.00 0.00 H new ATOM 0 HB2 GLU A 34 46.195 -10.145 -21.548 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.857 -9.627 -21.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.388 -7.607 -20.236 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.166 -9.176 -19.487 1.00 0.00 H new ATOM 471 N ALA A 35 45.026 -9.805 -23.881 1.00 0.00 N ATOM 472 CA ALA A 35 44.661 -10.575 -25.104 1.00 0.00 C ATOM 473 C ALA A 35 43.992 -9.662 -26.135 1.00 0.00 C ATOM 474 O ALA A 35 44.374 -9.631 -27.287 1.00 0.00 O ATOM 475 CB ALA A 35 43.705 -11.710 -24.731 1.00 0.00 C ATOM 0 H ALA A 35 44.415 -9.951 -23.078 1.00 0.00 H new ATOM 0 HA ALA A 35 45.571 -10.988 -25.539 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.440 -12.271 -25.627 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.191 -12.375 -24.017 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.803 -11.293 -24.283 1.00 0.00 H new ATOM 481 N LEU A 36 42.995 -8.925 -25.737 1.00 0.00 N ATOM 482 CA LEU A 36 42.312 -8.023 -26.707 1.00 0.00 C ATOM 483 C LEU A 36 43.333 -7.031 -27.262 1.00 0.00 C ATOM 484 O LEU A 36 43.169 -6.488 -28.337 1.00 0.00 O ATOM 485 CB LEU A 36 41.177 -7.265 -26.017 1.00 0.00 C ATOM 486 CG LEU A 36 41.729 -6.506 -24.819 1.00 0.00 C ATOM 487 CD1 LEU A 36 40.916 -5.231 -24.610 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.619 -7.381 -23.581 1.00 0.00 C ATOM 0 H LEU A 36 42.624 -8.907 -24.787 1.00 0.00 H new ATOM 0 HA LEU A 36 41.890 -8.616 -27.518 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.710 -6.572 -26.717 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.403 -7.962 -25.695 1.00 0.00 H new ATOM 0 HG LEU A 36 42.773 -6.248 -24.996 1.00 0.00 H new ATOM 0 HD11 LEU A 36 41.309 -4.685 -23.752 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.984 -4.606 -25.500 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.873 -5.490 -24.428 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.013 -6.843 -22.719 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.573 -7.632 -23.405 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.192 -8.296 -23.730 1.00 0.00 H new ATOM 500 N GLU A 37 44.400 -6.801 -26.545 1.00 0.00 N ATOM 501 CA GLU A 37 45.435 -5.868 -27.036 1.00 0.00 C ATOM 502 C GLU A 37 46.712 -6.651 -27.355 1.00 0.00 C ATOM 503 O GLU A 37 47.683 -6.104 -27.838 1.00 0.00 O ATOM 504 CB GLU A 37 45.736 -4.803 -25.987 1.00 0.00 C ATOM 505 CG GLU A 37 46.175 -3.530 -26.707 1.00 0.00 C ATOM 506 CD GLU A 37 47.701 -3.411 -26.650 1.00 0.00 C ATOM 507 OE1 GLU A 37 48.242 -3.520 -25.562 1.00 0.00 O ATOM 508 OE2 GLU A 37 48.299 -3.213 -27.693 1.00 0.00 O ATOM 0 H GLU A 37 44.593 -7.225 -25.637 1.00 0.00 H new ATOM 0 HA GLU A 37 45.068 -5.375 -27.936 1.00 0.00 H new ATOM 0 HB2 GLU A 37 44.853 -4.609 -25.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 46.519 -5.146 -25.311 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.840 -3.552 -27.744 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.714 -2.659 -26.241 1.00 0.00 H new ATOM 515 N GLN A 38 46.707 -7.933 -27.107 1.00 0.00 N ATOM 516 CA GLN A 38 47.893 -8.761 -27.408 1.00 0.00 C ATOM 517 C GLN A 38 48.063 -8.762 -28.918 1.00 0.00 C ATOM 518 O GLN A 38 49.135 -8.542 -29.448 1.00 0.00 O ATOM 519 CB GLN A 38 47.635 -10.188 -26.904 1.00 0.00 C ATOM 520 CG GLN A 38 48.402 -11.185 -27.767 1.00 0.00 C ATOM 521 CD GLN A 38 49.854 -10.722 -27.876 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.546 -11.061 -28.815 1.00 0.00 O ATOM 523 NE2 GLN A 38 50.348 -9.952 -26.941 1.00 0.00 N ATOM 0 H GLN A 38 45.919 -8.441 -26.704 1.00 0.00 H new ATOM 0 HA GLN A 38 48.791 -8.375 -26.925 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.946 -10.278 -25.863 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.568 -10.409 -26.938 1.00 0.00 H new ATOM 0 HG2 GLN A 38 48.355 -12.181 -27.326 1.00 0.00 H new ATOM 0 HG3 GLN A 38 47.952 -11.253 -28.757 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.765 -9.668 -26.153 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.316 -9.635 -27.000 1.00 0.00 H new ATOM 532 N PHE A 39 46.987 -8.989 -29.602 1.00 0.00 N ATOM 533 CA PHE A 39 47.031 -8.985 -31.078 1.00 0.00 C ATOM 534 C PHE A 39 46.857 -7.554 -31.584 1.00 0.00 C ATOM 535 O PHE A 39 47.419 -7.169 -32.591 1.00 0.00 O ATOM 536 CB PHE A 39 45.948 -9.897 -31.654 1.00 0.00 C ATOM 537 CG PHE A 39 44.759 -10.006 -30.726 1.00 0.00 C ATOM 538 CD1 PHE A 39 44.000 -8.876 -30.410 1.00 0.00 C ATOM 539 CD2 PHE A 39 44.408 -11.254 -30.191 1.00 0.00 C ATOM 540 CE1 PHE A 39 42.895 -8.991 -29.562 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.303 -11.367 -29.342 1.00 0.00 C ATOM 542 CZ PHE A 39 42.547 -10.236 -29.028 1.00 0.00 C ATOM 0 H PHE A 39 46.070 -9.179 -29.197 1.00 0.00 H new ATOM 0 HA PHE A 39 47.997 -9.367 -31.408 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.622 -9.510 -32.620 1.00 0.00 H new ATOM 0 HB3 PHE A 39 46.364 -10.889 -31.831 1.00 0.00 H new ATOM 0 HD1 PHE A 39 44.267 -7.914 -30.821 1.00 0.00 H new ATOM 0 HD2 PHE A 39 44.992 -12.129 -30.435 1.00 0.00 H new ATOM 0 HE1 PHE A 39 42.309 -8.117 -29.319 1.00 0.00 H new ATOM 0 HE2 PHE A 39 43.034 -12.328 -28.929 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.693 -10.323 -28.372 1.00 0.00 H new ATOM 552 N GLY A 40 46.114 -6.754 -30.880 1.00 0.00 N ATOM 553 CA GLY A 40 45.942 -5.333 -31.309 1.00 0.00 C ATOM 554 C GLY A 40 44.468 -4.993 -31.560 1.00 0.00 C ATOM 555 O GLY A 40 43.919 -5.315 -32.593 1.00 0.00 O ATOM 0 H GLY A 40 45.618 -7.016 -30.028 1.00 0.00 H new ATOM 0 HA2 GLY A 40 46.343 -4.670 -30.543 1.00 0.00 H new ATOM 0 HA3 GLY A 40 46.517 -5.155 -32.218 1.00 0.00 H new ATOM 559 N MET A 41 43.840 -4.315 -30.627 1.00 0.00 N ATOM 560 CA MET A 41 42.405 -3.913 -30.806 1.00 0.00 C ATOM 561 C MET A 41 41.745 -3.626 -29.449 1.00 0.00 C ATOM 562 O MET A 41 40.554 -3.802 -29.282 1.00 0.00 O ATOM 563 CB MET A 41 41.625 -5.023 -31.508 1.00 0.00 C ATOM 564 CG MET A 41 41.986 -6.373 -30.893 1.00 0.00 C ATOM 565 SD MET A 41 42.017 -7.628 -32.199 1.00 0.00 S ATOM 566 CE MET A 41 40.567 -7.052 -33.116 1.00 0.00 C ATOM 0 H MET A 41 44.261 -4.021 -29.745 1.00 0.00 H new ATOM 0 HA MET A 41 42.387 -3.009 -31.414 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.554 -4.844 -31.413 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.855 -5.025 -32.573 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.958 -6.316 -30.403 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.259 -6.644 -30.128 1.00 0.00 H new ATOM 0 HE1 MET A 41 40.105 -7.894 -33.632 1.00 0.00 H new ATOM 0 HE2 MET A 41 39.849 -6.612 -32.423 1.00 0.00 H new ATOM 0 HE3 MET A 41 40.872 -6.302 -33.846 1.00 0.00 H new ATOM 576 N TYR A 42 42.497 -3.176 -28.485 1.00 0.00 N ATOM 577 CA TYR A 42 41.915 -2.869 -27.151 1.00 0.00 C ATOM 578 C TYR A 42 41.627 -1.360 -27.092 1.00 0.00 C ATOM 579 O TYR A 42 41.664 -0.731 -26.054 1.00 0.00 O ATOM 580 CB TYR A 42 42.942 -3.291 -26.092 1.00 0.00 C ATOM 581 CG TYR A 42 42.673 -2.637 -24.756 1.00 0.00 C ATOM 582 CD1 TYR A 42 41.365 -2.502 -24.273 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.750 -2.168 -23.997 1.00 0.00 C ATOM 584 CE1 TYR A 42 41.138 -1.897 -23.031 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.524 -1.563 -22.755 1.00 0.00 C ATOM 586 CZ TYR A 42 42.216 -1.427 -22.272 1.00 0.00 C ATOM 587 OH TYR A 42 41.988 -0.829 -21.049 1.00 0.00 O ATOM 0 H TYR A 42 43.500 -3.006 -28.566 1.00 0.00 H new ATOM 0 HA TYR A 42 40.982 -3.403 -26.971 1.00 0.00 H new ATOM 0 HB2 TYR A 42 42.921 -4.375 -25.977 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.943 -3.026 -26.431 1.00 0.00 H new ATOM 0 HD1 TYR A 42 40.533 -2.864 -24.858 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.758 -2.273 -24.370 1.00 0.00 H new ATOM 0 HE1 TYR A 42 40.130 -1.793 -22.658 1.00 0.00 H new ATOM 0 HE2 TYR A 42 44.357 -1.202 -22.170 1.00 0.00 H new ATOM 0 HH TYR A 42 42.843 -0.560 -20.652 1.00 0.00 H new ATOM 597 N SER A 43 41.367 -0.772 -28.227 1.00 0.00 N ATOM 598 CA SER A 43 41.104 0.694 -28.269 1.00 0.00 C ATOM 599 C SER A 43 39.616 0.961 -28.508 1.00 0.00 C ATOM 600 O SER A 43 38.901 0.134 -29.037 1.00 0.00 O ATOM 601 CB SER A 43 41.906 1.308 -29.418 1.00 0.00 C ATOM 602 OG SER A 43 41.163 1.197 -30.623 1.00 0.00 O ATOM 0 H SER A 43 41.325 -1.245 -29.130 1.00 0.00 H new ATOM 0 HA SER A 43 41.398 1.136 -27.317 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.122 2.355 -29.206 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.864 0.799 -29.520 1.00 0.00 H new ATOM 0 HG SER A 43 41.674 1.591 -31.360 1.00 0.00 H new ATOM 608 N GLU A 44 39.151 2.122 -28.134 1.00 0.00 N ATOM 609 CA GLU A 44 37.720 2.468 -28.348 1.00 0.00 C ATOM 610 C GLU A 44 37.305 2.087 -29.767 1.00 0.00 C ATOM 611 O GLU A 44 36.450 1.260 -29.958 1.00 0.00 O ATOM 612 CB GLU A 44 37.533 3.974 -28.151 1.00 0.00 C ATOM 613 CG GLU A 44 36.646 4.223 -26.930 1.00 0.00 C ATOM 614 CD GLU A 44 35.601 5.288 -27.269 1.00 0.00 C ATOM 615 OE1 GLU A 44 35.990 6.423 -27.483 1.00 0.00 O ATOM 616 OE2 GLU A 44 34.429 4.949 -27.307 1.00 0.00 O ATOM 0 H GLU A 44 39.707 2.850 -27.686 1.00 0.00 H new ATOM 0 HA GLU A 44 37.103 1.922 -27.634 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.501 4.457 -28.015 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.079 4.414 -29.039 1.00 0.00 H new ATOM 0 HG2 GLU A 44 36.154 3.298 -26.630 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.254 4.550 -26.086 1.00 0.00 H new ATOM 623 N ASP A 45 37.893 2.684 -30.763 1.00 0.00 N ATOM 624 CA ASP A 45 37.507 2.349 -32.158 1.00 0.00 C ATOM 625 C ASP A 45 37.625 0.839 -32.404 1.00 0.00 C ATOM 626 O ASP A 45 36.924 0.280 -33.224 1.00 0.00 O ATOM 627 CB ASP A 45 38.413 3.097 -33.120 1.00 0.00 C ATOM 628 CG ASP A 45 37.799 3.086 -34.522 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.751 2.483 -34.684 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.387 3.682 -35.411 1.00 0.00 O ATOM 0 H ASP A 45 38.624 3.389 -30.671 1.00 0.00 H new ATOM 0 HA ASP A 45 36.470 2.644 -32.319 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.551 4.124 -32.781 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.399 2.633 -33.141 1.00 0.00 H new ATOM 635 N ALA A 46 38.509 0.175 -31.709 1.00 0.00 N ATOM 636 CA ALA A 46 38.670 -1.297 -31.915 1.00 0.00 C ATOM 637 C ALA A 46 37.409 -2.035 -31.466 1.00 0.00 C ATOM 638 O ALA A 46 36.610 -2.474 -32.271 1.00 0.00 O ATOM 639 CB ALA A 46 39.870 -1.792 -31.107 1.00 0.00 C ATOM 0 H ALA A 46 39.126 0.585 -31.008 1.00 0.00 H new ATOM 0 HA ALA A 46 38.833 -1.494 -32.975 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.990 -2.865 -31.255 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.771 -1.276 -31.440 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.706 -1.588 -30.049 1.00 0.00 H new ATOM 645 N ILE A 47 37.236 -2.185 -30.191 1.00 0.00 N ATOM 646 CA ILE A 47 36.044 -2.898 -29.667 1.00 0.00 C ATOM 647 C ILE A 47 34.771 -2.184 -30.110 1.00 0.00 C ATOM 648 O ILE A 47 33.700 -2.755 -30.144 1.00 0.00 O ATOM 649 CB ILE A 47 36.138 -2.893 -28.156 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.958 -3.632 -27.542 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.120 -1.459 -27.647 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.057 -3.496 -26.024 1.00 0.00 C ATOM 0 H ILE A 47 37.878 -1.840 -29.477 1.00 0.00 H new ATOM 0 HA ILE A 47 36.011 -3.919 -30.047 1.00 0.00 H new ATOM 0 HB ILE A 47 37.066 -3.389 -27.872 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.018 -3.215 -27.902 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.973 -4.682 -27.833 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.188 -1.458 -26.559 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.967 -0.914 -28.064 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.192 -0.976 -27.953 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.222 -4.018 -25.557 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.995 -3.932 -25.680 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.025 -2.441 -25.750 1.00 0.00 H new ATOM 664 N ILE A 48 34.885 -0.941 -30.458 1.00 0.00 N ATOM 665 CA ILE A 48 33.691 -0.177 -30.912 1.00 0.00 C ATOM 666 C ILE A 48 33.185 -0.810 -32.214 1.00 0.00 C ATOM 667 O ILE A 48 31.997 -0.899 -32.453 1.00 0.00 O ATOM 668 CB ILE A 48 34.083 1.293 -31.121 1.00 0.00 C ATOM 669 CG1 ILE A 48 34.059 2.030 -29.779 1.00 0.00 C ATOM 670 CG2 ILE A 48 33.094 1.973 -32.054 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.783 3.371 -29.921 1.00 0.00 C ATOM 0 H ILE A 48 35.758 -0.414 -30.449 1.00 0.00 H new ATOM 0 HA ILE A 48 32.895 -0.211 -30.168 1.00 0.00 H new ATOM 0 HB ILE A 48 35.083 1.324 -31.554 1.00 0.00 H new ATOM 0 HG12 ILE A 48 33.030 2.192 -29.459 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.540 1.424 -29.011 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.383 3.015 -32.194 1.00 0.00 H new ATOM 0 HG22 ILE A 48 33.094 1.464 -33.018 1.00 0.00 H new ATOM 0 HG23 ILE A 48 32.095 1.929 -31.620 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.766 3.896 -28.966 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.816 3.197 -30.221 1.00 0.00 H new ATOM 0 HD13 ILE A 48 34.283 3.976 -30.677 1.00 0.00 H new ATOM 683 N TYR A 49 34.082 -1.285 -33.038 1.00 0.00 N ATOM 684 CA TYR A 49 33.667 -1.956 -34.304 1.00 0.00 C ATOM 685 C TYR A 49 33.422 -3.432 -34.002 1.00 0.00 C ATOM 686 O TYR A 49 32.761 -4.134 -34.735 1.00 0.00 O ATOM 687 CB TYR A 49 34.769 -1.828 -35.350 1.00 0.00 C ATOM 688 CG TYR A 49 34.327 -2.545 -36.597 1.00 0.00 C ATOM 689 CD1 TYR A 49 34.427 -3.938 -36.675 1.00 0.00 C ATOM 690 CD2 TYR A 49 33.805 -1.818 -37.670 1.00 0.00 C ATOM 691 CE1 TYR A 49 34.002 -4.605 -37.829 1.00 0.00 C ATOM 692 CE2 TYR A 49 33.382 -2.482 -38.824 1.00 0.00 C ATOM 693 CZ TYR A 49 33.479 -3.877 -38.905 1.00 0.00 C ATOM 694 OH TYR A 49 33.059 -4.533 -40.043 1.00 0.00 O ATOM 0 H TYR A 49 35.090 -1.236 -32.887 1.00 0.00 H new ATOM 0 HA TYR A 49 32.762 -1.489 -34.692 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.966 -0.778 -35.566 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.699 -2.257 -34.976 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.832 -4.498 -35.845 1.00 0.00 H new ATOM 0 HD2 TYR A 49 33.729 -0.743 -37.607 1.00 0.00 H new ATOM 0 HE1 TYR A 49 34.077 -5.681 -37.890 1.00 0.00 H new ATOM 0 HE2 TYR A 49 32.980 -1.920 -39.654 1.00 0.00 H new ATOM 0 HH TYR A 49 32.722 -3.880 -40.692 1.00 0.00 H new ATOM 704 N GLN A 50 33.936 -3.901 -32.907 1.00 0.00 N ATOM 705 CA GLN A 50 33.709 -5.316 -32.528 1.00 0.00 C ATOM 706 C GLN A 50 32.434 -5.355 -31.668 1.00 0.00 C ATOM 707 O GLN A 50 31.974 -6.398 -31.248 1.00 0.00 O ATOM 708 CB GLN A 50 34.959 -5.823 -31.780 1.00 0.00 C ATOM 709 CG GLN A 50 34.614 -6.804 -30.658 1.00 0.00 C ATOM 710 CD GLN A 50 34.532 -8.217 -31.239 1.00 0.00 C ATOM 711 OE1 GLN A 50 33.566 -8.920 -31.031 1.00 0.00 O ATOM 712 NE2 GLN A 50 35.518 -8.665 -31.967 1.00 0.00 N ATOM 0 H GLN A 50 34.506 -3.363 -32.255 1.00 0.00 H new ATOM 0 HA GLN A 50 33.562 -5.970 -33.387 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.630 -6.308 -32.489 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.498 -4.973 -31.362 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.371 -6.762 -29.875 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.665 -6.531 -30.198 1.00 0.00 H new ATOM 0 HE21 GLN A 50 36.331 -8.075 -32.143 1.00 0.00 H new ATOM 0 HE22 GLN A 50 35.475 -9.605 -32.360 1.00 0.00 H new ATOM 721 N VAL A 51 31.847 -4.201 -31.426 1.00 0.00 N ATOM 722 CA VAL A 51 30.598 -4.126 -30.616 1.00 0.00 C ATOM 723 C VAL A 51 29.413 -3.759 -31.509 1.00 0.00 C ATOM 724 O VAL A 51 28.324 -4.266 -31.352 1.00 0.00 O ATOM 725 CB VAL A 51 30.747 -3.026 -29.571 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.411 -2.817 -28.859 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.812 -3.423 -28.550 1.00 0.00 C ATOM 0 H VAL A 51 32.190 -3.301 -31.763 1.00 0.00 H new ATOM 0 HA VAL A 51 30.427 -5.095 -30.146 1.00 0.00 H new ATOM 0 HB VAL A 51 31.048 -2.101 -30.062 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.516 -2.031 -28.111 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.653 -2.527 -29.586 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.110 -3.744 -28.371 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.915 -2.633 -27.806 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.517 -4.350 -28.058 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.766 -3.569 -29.057 1.00 0.00 H new ATOM 737 N GLN A 52 29.618 -2.876 -32.448 1.00 0.00 N ATOM 738 CA GLN A 52 28.513 -2.465 -33.342 1.00 0.00 C ATOM 739 C GLN A 52 28.195 -3.598 -34.282 1.00 0.00 C ATOM 740 O GLN A 52 27.279 -3.527 -35.077 1.00 0.00 O ATOM 741 CB GLN A 52 28.961 -1.280 -34.166 1.00 0.00 C ATOM 742 CG GLN A 52 28.039 -0.087 -33.907 1.00 0.00 C ATOM 743 CD GLN A 52 28.859 1.204 -33.940 1.00 0.00 C ATOM 744 OE1 GLN A 52 28.474 2.167 -34.572 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.982 1.264 -33.279 1.00 0.00 N ATOM 0 H GLN A 52 30.513 -2.422 -32.631 1.00 0.00 H new ATOM 0 HA GLN A 52 27.637 -2.206 -32.747 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.989 -1.018 -33.914 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.949 -1.537 -35.225 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.252 -0.051 -34.661 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.549 -0.195 -32.939 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.305 0.455 -32.748 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.537 2.120 -33.293 1.00 0.00 H new ATOM 754 N HIS A 53 28.965 -4.637 -34.227 1.00 0.00 N ATOM 755 CA HIS A 53 28.729 -5.745 -35.134 1.00 0.00 C ATOM 756 C HIS A 53 29.436 -6.956 -34.583 1.00 0.00 C ATOM 757 O HIS A 53 29.827 -7.846 -35.313 1.00 0.00 O ATOM 758 CB HIS A 53 29.277 -5.416 -36.513 1.00 0.00 C ATOM 759 CG HIS A 53 29.945 -4.054 -36.594 1.00 0.00 C ATOM 760 ND1 HIS A 53 29.966 -3.343 -37.785 1.00 0.00 N ATOM 761 CD2 HIS A 53 30.606 -3.258 -35.681 1.00 0.00 C ATOM 762 CE1 HIS A 53 30.612 -2.186 -37.561 1.00 0.00 C ATOM 763 NE2 HIS A 53 31.023 -2.083 -36.298 1.00 0.00 N ATOM 0 H HIS A 53 29.748 -4.754 -33.584 1.00 0.00 H new ATOM 0 HA HIS A 53 27.659 -5.935 -35.224 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.997 -6.182 -36.801 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.463 -5.456 -37.237 1.00 0.00 H new ATOM 0 HD1 HIS A 53 29.563 -3.644 -38.672 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.774 -3.509 -34.644 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.778 -1.430 -38.315 1.00 0.00 H new ATOM 771 N GLY A 54 29.617 -6.994 -33.292 1.00 0.00 N ATOM 772 CA GLY A 54 30.318 -8.142 -32.693 1.00 0.00 C ATOM 773 C GLY A 54 31.535 -8.445 -33.543 1.00 0.00 C ATOM 774 O GLY A 54 32.276 -7.571 -33.947 1.00 0.00 O ATOM 0 H GLY A 54 29.308 -6.278 -32.635 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.616 -7.915 -31.669 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.659 -9.009 -32.648 1.00 0.00 H new ATOM 778 N LYS A 55 31.701 -9.675 -33.832 1.00 0.00 N ATOM 779 CA LYS A 55 32.834 -10.116 -34.689 1.00 0.00 C ATOM 780 C LYS A 55 33.077 -11.607 -34.490 1.00 0.00 C ATOM 781 O LYS A 55 33.230 -12.078 -33.383 1.00 0.00 O ATOM 782 CB LYS A 55 34.092 -9.323 -34.352 1.00 0.00 C ATOM 783 CG LYS A 55 34.404 -8.400 -35.533 1.00 0.00 C ATOM 784 CD LYS A 55 35.086 -7.130 -35.033 1.00 0.00 C ATOM 785 CE LYS A 55 36.282 -6.808 -35.934 1.00 0.00 C ATOM 786 NZ LYS A 55 37.379 -6.219 -35.114 1.00 0.00 N ATOM 0 H LYS A 55 31.092 -10.427 -33.510 1.00 0.00 H new ATOM 0 HA LYS A 55 32.583 -9.934 -35.734 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.942 -8.740 -33.443 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.928 -9.997 -34.165 1.00 0.00 H new ATOM 0 HG2 LYS A 55 35.049 -8.913 -36.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 33.484 -8.146 -36.060 1.00 0.00 H new ATOM 0 HD2 LYS A 55 34.380 -6.299 -35.036 1.00 0.00 H new ATOM 0 HD3 LYS A 55 35.418 -7.263 -34.003 1.00 0.00 H new ATOM 0 HE2 LYS A 55 36.631 -7.714 -36.430 1.00 0.00 H new ATOM 0 HE3 LYS A 55 35.984 -6.110 -36.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 38.191 -6.000 -35.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 37.043 -5.346 -34.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 37.670 -6.899 -34.383 1.00 0.00 H new ATOM 800 N ASN A 56 33.096 -12.349 -35.565 1.00 0.00 N ATOM 801 CA ASN A 56 33.310 -13.819 -35.473 1.00 0.00 C ATOM 802 C ASN A 56 32.090 -14.475 -34.821 1.00 0.00 C ATOM 803 O ASN A 56 31.228 -15.002 -35.496 1.00 0.00 O ATOM 804 CB ASN A 56 34.567 -14.118 -34.653 1.00 0.00 C ATOM 805 CG ASN A 56 35.783 -13.503 -35.351 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.420 -14.145 -36.161 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.131 -12.276 -35.073 1.00 0.00 N ATOM 0 H ASN A 56 32.971 -11.993 -36.513 1.00 0.00 H new ATOM 0 HA ASN A 56 33.443 -14.224 -36.476 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.465 -13.710 -33.647 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.699 -15.195 -34.548 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.938 -11.857 -35.536 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.596 -11.736 -34.393 1.00 0.00 H new ATOM 814 N ALA A 57 32.004 -14.455 -33.517 1.00 0.00 N ATOM 815 CA ALA A 57 30.833 -15.087 -32.847 1.00 0.00 C ATOM 816 C ALA A 57 30.180 -14.107 -31.867 1.00 0.00 C ATOM 817 O ALA A 57 29.351 -14.488 -31.067 1.00 0.00 O ATOM 818 CB ALA A 57 31.295 -16.330 -32.082 1.00 0.00 C ATOM 0 H ALA A 57 32.689 -14.031 -32.892 1.00 0.00 H new ATOM 0 HA ALA A 57 30.103 -15.365 -33.608 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.440 -16.794 -31.591 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.743 -17.040 -32.778 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.032 -16.043 -31.332 1.00 0.00 H new ATOM 824 N MET A 58 30.535 -12.849 -31.912 1.00 0.00 N ATOM 825 CA MET A 58 29.904 -11.885 -30.965 1.00 0.00 C ATOM 826 C MET A 58 28.713 -11.195 -31.649 1.00 0.00 C ATOM 827 O MET A 58 28.785 -10.849 -32.810 1.00 0.00 O ATOM 828 CB MET A 58 30.936 -10.844 -30.510 1.00 0.00 C ATOM 829 CG MET A 58 30.230 -9.624 -29.901 1.00 0.00 C ATOM 830 SD MET A 58 31.454 -8.386 -29.408 1.00 0.00 S ATOM 831 CE MET A 58 30.275 -7.124 -28.873 1.00 0.00 C ATOM 0 H MET A 58 31.223 -12.453 -32.553 1.00 0.00 H new ATOM 0 HA MET A 58 29.545 -12.423 -30.088 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.610 -11.287 -29.776 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.547 -10.533 -31.357 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.537 -9.195 -30.625 1.00 0.00 H new ATOM 0 HG3 MET A 58 29.640 -9.929 -29.037 1.00 0.00 H new ATOM 0 HE1 MET A 58 30.797 -6.360 -28.297 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.811 -6.666 -29.746 1.00 0.00 H new ATOM 0 HE3 MET A 58 29.506 -7.584 -28.253 1.00 0.00 H new ATOM 841 N PRO A 59 27.646 -11.030 -30.905 1.00 0.00 N ATOM 842 CA PRO A 59 26.409 -10.392 -31.403 1.00 0.00 C ATOM 843 C PRO A 59 26.527 -8.873 -31.564 1.00 0.00 C ATOM 844 O PRO A 59 26.695 -8.146 -30.607 1.00 0.00 O ATOM 845 CB PRO A 59 25.375 -10.727 -30.326 1.00 0.00 C ATOM 846 CG PRO A 59 26.163 -11.064 -29.044 1.00 0.00 C ATOM 847 CD PRO A 59 27.569 -11.476 -29.495 1.00 0.00 C ATOM 0 HA PRO A 59 26.156 -10.755 -32.399 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.705 -9.884 -30.158 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.756 -11.570 -30.633 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.206 -10.203 -28.377 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.680 -11.871 -28.492 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.338 -11.001 -28.885 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.715 -12.553 -29.410 1.00 0.00 H new ATOM 855 N ALA A 60 26.395 -8.391 -32.777 1.00 0.00 N ATOM 856 CA ALA A 60 26.445 -6.928 -33.025 1.00 0.00 C ATOM 857 C ALA A 60 25.694 -6.183 -31.919 1.00 0.00 C ATOM 858 O ALA A 60 24.926 -6.758 -31.173 1.00 0.00 O ATOM 859 CB ALA A 60 25.741 -6.643 -34.352 1.00 0.00 C ATOM 0 H ALA A 60 26.253 -8.961 -33.611 1.00 0.00 H new ATOM 0 HA ALA A 60 27.484 -6.599 -33.048 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.766 -5.572 -34.554 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.249 -7.176 -35.155 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.705 -6.977 -34.293 1.00 0.00 H new ATOM 865 N PHE A 61 25.892 -4.899 -31.835 1.00 0.00 N ATOM 866 CA PHE A 61 25.189 -4.091 -30.824 1.00 0.00 C ATOM 867 C PHE A 61 24.924 -2.705 -31.409 1.00 0.00 C ATOM 868 O PHE A 61 24.606 -1.768 -30.705 1.00 0.00 O ATOM 869 CB PHE A 61 26.046 -3.972 -29.565 1.00 0.00 C ATOM 870 CG PHE A 61 25.935 -5.250 -28.773 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.848 -5.442 -27.920 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.918 -6.238 -28.891 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.740 -6.626 -27.180 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.814 -7.421 -28.152 1.00 0.00 C ATOM 875 CZ PHE A 61 25.725 -7.616 -27.296 1.00 0.00 C ATOM 0 H PHE A 61 26.524 -4.373 -32.439 1.00 0.00 H new ATOM 0 HA PHE A 61 24.246 -4.567 -30.556 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.086 -3.785 -29.834 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.715 -3.126 -28.963 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.090 -4.678 -27.830 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.758 -6.087 -29.553 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.898 -6.776 -26.520 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.574 -8.183 -28.242 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.643 -8.529 -26.725 1.00 0.00 H new ATOM 885 N ALA A 62 25.045 -2.571 -32.705 1.00 0.00 N ATOM 886 CA ALA A 62 24.797 -1.258 -33.345 1.00 0.00 C ATOM 887 C ALA A 62 23.421 -0.742 -32.927 1.00 0.00 C ATOM 888 O ALA A 62 23.127 0.431 -33.048 1.00 0.00 O ATOM 889 CB ALA A 62 24.848 -1.409 -34.867 1.00 0.00 C ATOM 0 H ALA A 62 25.306 -3.322 -33.344 1.00 0.00 H new ATOM 0 HA ALA A 62 25.563 -0.550 -33.029 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.665 -0.442 -35.335 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.831 -1.776 -35.164 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.084 -2.117 -35.188 1.00 0.00 H new ATOM 895 N GLY A 63 22.574 -1.603 -32.426 1.00 0.00 N ATOM 896 CA GLY A 63 21.236 -1.148 -31.999 1.00 0.00 C ATOM 897 C GLY A 63 20.658 -2.206 -31.087 1.00 0.00 C ATOM 898 O GLY A 63 19.459 -2.367 -30.969 1.00 0.00 O ATOM 0 H GLY A 63 22.759 -2.598 -32.298 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.305 -0.192 -31.480 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.590 -0.995 -32.864 1.00 0.00 H new ATOM 902 N ARG A 64 21.514 -2.904 -30.406 1.00 0.00 N ATOM 903 CA ARG A 64 21.038 -3.924 -29.462 1.00 0.00 C ATOM 904 C ARG A 64 21.092 -3.258 -28.101 1.00 0.00 C ATOM 905 O ARG A 64 20.179 -3.342 -27.305 1.00 0.00 O ATOM 906 CB ARG A 64 21.937 -5.160 -29.509 1.00 0.00 C ATOM 907 CG ARG A 64 21.073 -6.421 -29.474 1.00 0.00 C ATOM 908 CD ARG A 64 20.057 -6.301 -28.340 1.00 0.00 C ATOM 909 NE ARG A 64 18.948 -7.274 -28.553 1.00 0.00 N ATOM 910 CZ ARG A 64 18.993 -8.448 -27.988 1.00 0.00 C ATOM 911 NH1 ARG A 64 19.663 -9.415 -28.548 1.00 0.00 N ATOM 912 NH2 ARG A 64 18.366 -8.655 -26.862 1.00 0.00 N ATOM 0 H ARG A 64 22.527 -2.806 -30.468 1.00 0.00 H new ATOM 0 HA ARG A 64 20.032 -4.269 -29.700 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.544 -5.147 -30.414 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.625 -5.154 -28.664 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.559 -6.551 -30.427 1.00 0.00 H new ATOM 0 HG3 ARG A 64 21.699 -7.301 -29.326 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.542 -6.492 -27.383 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.661 -5.286 -28.300 1.00 0.00 H new ATOM 0 HE ARG A 64 18.154 -7.021 -29.141 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.152 -9.253 -29.428 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.698 -10.334 -28.106 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.841 -7.898 -26.424 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.401 -9.574 -26.420 1.00 0.00 H new ATOM 926 N LEU A 65 22.150 -2.526 -27.873 1.00 0.00 N ATOM 927 CA LEU A 65 22.268 -1.760 -26.605 1.00 0.00 C ATOM 928 C LEU A 65 21.477 -0.468 -26.779 1.00 0.00 C ATOM 929 O LEU A 65 20.417 -0.450 -27.373 1.00 0.00 O ATOM 930 CB LEU A 65 23.734 -1.432 -26.326 1.00 0.00 C ATOM 931 CG LEU A 65 24.588 -2.670 -26.561 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.038 -2.358 -26.200 1.00 0.00 C ATOM 933 CD2 LEU A 65 24.081 -3.816 -25.682 1.00 0.00 C ATOM 0 H LEU A 65 22.938 -2.427 -28.514 1.00 0.00 H new ATOM 0 HA LEU A 65 21.883 -2.343 -25.768 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.065 -0.621 -26.974 1.00 0.00 H new ATOM 0 HB3 LEU A 65 23.851 -1.087 -25.299 1.00 0.00 H new ATOM 0 HG LEU A 65 24.525 -2.962 -27.609 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.653 -3.242 -26.367 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.401 -1.541 -26.824 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.097 -2.068 -25.151 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.693 -4.702 -25.851 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.144 -3.526 -24.633 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.044 -4.037 -25.935 1.00 0.00 H new ATOM 945 N THR A 66 21.981 0.607 -26.277 1.00 0.00 N ATOM 946 CA THR A 66 21.263 1.907 -26.420 1.00 0.00 C ATOM 947 C THR A 66 21.868 2.702 -27.587 1.00 0.00 C ATOM 948 O THR A 66 21.184 3.077 -28.517 1.00 0.00 O ATOM 949 CB THR A 66 21.396 2.716 -25.124 1.00 0.00 C ATOM 950 OG1 THR A 66 20.548 2.153 -24.133 1.00 0.00 O ATOM 951 CG2 THR A 66 20.985 4.165 -25.384 1.00 0.00 C ATOM 0 H THR A 66 22.864 0.653 -25.769 1.00 0.00 H new ATOM 0 HA THR A 66 20.208 1.717 -26.619 1.00 0.00 H new ATOM 0 HB THR A 66 22.430 2.690 -24.779 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.631 2.666 -23.302 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.079 4.741 -24.463 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.632 4.595 -26.149 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.950 4.194 -25.726 1.00 0.00 H new ATOM 959 N ASP A 67 23.147 2.960 -27.520 1.00 0.00 N ATOM 960 CA ASP A 67 23.854 3.740 -28.584 1.00 0.00 C ATOM 961 C ASP A 67 25.054 4.405 -27.918 1.00 0.00 C ATOM 962 O ASP A 67 26.198 4.208 -28.296 1.00 0.00 O ATOM 963 CB ASP A 67 22.922 4.809 -29.163 1.00 0.00 C ATOM 964 CG ASP A 67 23.743 5.842 -29.938 1.00 0.00 C ATOM 965 OD1 ASP A 67 24.190 5.518 -31.024 1.00 0.00 O ATOM 966 OD2 ASP A 67 23.908 6.938 -29.430 1.00 0.00 O ATOM 0 H ASP A 67 23.748 2.656 -26.754 1.00 0.00 H new ATOM 0 HA ASP A 67 24.166 3.089 -29.401 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.186 4.347 -29.821 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.369 5.297 -28.360 1.00 0.00 H new ATOM 971 N GLU A 68 24.788 5.144 -26.873 1.00 0.00 N ATOM 972 CA GLU A 68 25.875 5.798 -26.092 1.00 0.00 C ATOM 973 C GLU A 68 26.647 4.721 -25.324 1.00 0.00 C ATOM 974 O GLU A 68 27.554 5.007 -24.573 1.00 0.00 O ATOM 975 CB GLU A 68 25.241 6.754 -25.086 1.00 0.00 C ATOM 976 CG GLU A 68 24.522 7.871 -25.836 1.00 0.00 C ATOM 977 CD GLU A 68 24.484 9.129 -24.965 1.00 0.00 C ATOM 978 OE1 GLU A 68 25.546 9.634 -24.640 1.00 0.00 O ATOM 979 OE2 GLU A 68 23.393 9.565 -24.636 1.00 0.00 O ATOM 0 H GLU A 68 23.847 5.324 -26.523 1.00 0.00 H new ATOM 0 HA GLU A 68 26.547 6.338 -26.759 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.538 6.217 -24.449 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.006 7.173 -24.433 1.00 0.00 H new ATOM 0 HG2 GLU A 68 25.034 8.081 -26.775 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.508 7.560 -26.089 1.00 0.00 H new ATOM 986 N GLN A 69 26.277 3.486 -25.516 1.00 0.00 N ATOM 987 CA GLN A 69 26.948 2.359 -24.830 1.00 0.00 C ATOM 988 C GLN A 69 27.640 1.531 -25.898 1.00 0.00 C ATOM 989 O GLN A 69 28.679 0.959 -25.681 1.00 0.00 O ATOM 990 CB GLN A 69 25.938 1.526 -24.061 1.00 0.00 C ATOM 991 CG GLN A 69 24.587 2.249 -24.003 1.00 0.00 C ATOM 992 CD GLN A 69 24.739 3.632 -23.344 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.812 4.417 -23.361 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.863 3.977 -22.762 1.00 0.00 N ATOM 0 H GLN A 69 25.517 3.209 -26.137 1.00 0.00 H new ATOM 0 HA GLN A 69 27.675 2.724 -24.105 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.818 0.554 -24.540 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.303 1.341 -23.051 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.186 2.362 -25.010 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.871 1.649 -23.441 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.648 3.326 -22.742 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.952 4.897 -22.330 1.00 0.00 H new ATOM 1003 N ILE A 70 27.143 1.543 -27.103 1.00 0.00 N ATOM 1004 CA ILE A 70 27.912 0.846 -28.158 1.00 0.00 C ATOM 1005 C ILE A 70 29.267 1.560 -28.147 1.00 0.00 C ATOM 1006 O ILE A 70 30.287 1.046 -28.563 1.00 0.00 O ATOM 1007 CB ILE A 70 27.236 1.023 -29.522 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.772 0.580 -29.439 1.00 0.00 C ATOM 1009 CG2 ILE A 70 27.963 0.173 -30.566 1.00 0.00 C ATOM 1010 CD1 ILE A 70 25.673 -0.709 -28.625 1.00 0.00 C ATOM 0 H ILE A 70 26.272 1.988 -27.392 1.00 0.00 H new ATOM 0 HA ILE A 70 27.990 -0.227 -27.985 1.00 0.00 H new ATOM 0 HB ILE A 70 27.279 2.074 -29.809 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.170 1.362 -28.976 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.372 0.421 -30.440 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.482 0.299 -31.536 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.004 0.490 -30.633 1.00 0.00 H new ATOM 0 HG23 ILE A 70 27.922 -0.876 -30.274 1.00 0.00 H new ATOM 0 HD11 ILE A 70 24.631 -1.023 -28.567 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.261 -1.490 -29.107 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.056 -0.535 -27.620 1.00 0.00 H new ATOM 1022 N GLN A 71 29.233 2.772 -27.638 1.00 0.00 N ATOM 1023 CA GLN A 71 30.416 3.633 -27.515 1.00 0.00 C ATOM 1024 C GLN A 71 30.988 3.537 -26.099 1.00 0.00 C ATOM 1025 O GLN A 71 32.091 3.084 -25.876 1.00 0.00 O ATOM 1026 CB GLN A 71 29.919 5.052 -27.719 1.00 0.00 C ATOM 1027 CG GLN A 71 29.693 5.310 -29.208 1.00 0.00 C ATOM 1028 CD GLN A 71 30.531 6.509 -29.638 1.00 0.00 C ATOM 1029 OE1 GLN A 71 31.076 6.531 -30.724 1.00 0.00 O ATOM 1030 NE2 GLN A 71 30.660 7.515 -28.821 1.00 0.00 N ATOM 0 H GLN A 71 28.377 3.204 -27.290 1.00 0.00 H new ATOM 0 HA GLN A 71 31.185 3.343 -28.231 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.991 5.205 -27.169 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.645 5.762 -27.323 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.970 4.430 -29.789 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.637 5.500 -29.401 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.202 7.494 -27.910 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.219 8.324 -29.092 1.00 0.00 H new ATOM 1039 N ASP A 72 30.226 4.004 -25.151 1.00 0.00 N ATOM 1040 CA ASP A 72 30.643 4.004 -23.726 1.00 0.00 C ATOM 1041 C ASP A 72 31.057 2.596 -23.294 1.00 0.00 C ATOM 1042 O ASP A 72 31.993 2.432 -22.558 1.00 0.00 O ATOM 1043 CB ASP A 72 29.449 4.480 -22.897 1.00 0.00 C ATOM 1044 CG ASP A 72 29.734 4.334 -21.400 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.686 3.658 -21.051 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.986 4.906 -20.627 1.00 0.00 O ATOM 0 H ASP A 72 29.300 4.399 -25.314 1.00 0.00 H new ATOM 0 HA ASP A 72 31.499 4.663 -23.580 1.00 0.00 H new ATOM 0 HB2 ASP A 72 29.231 5.522 -23.130 1.00 0.00 H new ATOM 0 HB3 ASP A 72 28.563 3.902 -23.161 1.00 0.00 H new ATOM 1051 N VAL A 73 30.353 1.591 -23.727 1.00 0.00 N ATOM 1052 CA VAL A 73 30.695 0.187 -23.341 1.00 0.00 C ATOM 1053 C VAL A 73 32.112 -0.148 -23.840 1.00 0.00 C ATOM 1054 O VAL A 73 32.810 -0.969 -23.274 1.00 0.00 O ATOM 1055 CB VAL A 73 29.672 -0.774 -23.972 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.084 -1.130 -25.406 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.601 -2.052 -23.145 1.00 0.00 C ATOM 0 H VAL A 73 29.543 1.679 -24.341 1.00 0.00 H new ATOM 0 HA VAL A 73 30.665 0.081 -22.257 1.00 0.00 H new ATOM 0 HB VAL A 73 28.698 -0.284 -23.992 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.350 -1.810 -25.837 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.134 -0.222 -26.006 1.00 0.00 H new ATOM 0 HG13 VAL A 73 31.062 -1.611 -25.395 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.877 -2.734 -23.591 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.582 -2.527 -23.124 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.294 -1.810 -22.128 1.00 0.00 H new ATOM 1067 N ALA A 74 32.552 0.496 -24.881 1.00 0.00 N ATOM 1068 CA ALA A 74 33.927 0.237 -25.379 1.00 0.00 C ATOM 1069 C ALA A 74 34.873 1.049 -24.501 1.00 0.00 C ATOM 1070 O ALA A 74 35.654 0.517 -23.751 1.00 0.00 O ATOM 1071 CB ALA A 74 34.049 0.681 -26.841 1.00 0.00 C ATOM 0 H ALA A 74 32.020 1.189 -25.407 1.00 0.00 H new ATOM 0 HA ALA A 74 34.168 -0.825 -25.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 35.061 0.487 -27.197 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.337 0.125 -27.451 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.836 1.747 -26.916 1.00 0.00 H new ATOM 1077 N ALA A 75 34.766 2.340 -24.528 1.00 0.00 N ATOM 1078 CA ALA A 75 35.623 3.150 -23.629 1.00 0.00 C ATOM 1079 C ALA A 75 35.472 2.572 -22.213 1.00 0.00 C ATOM 1080 O ALA A 75 36.331 2.699 -21.364 1.00 0.00 O ATOM 1081 CB ALA A 75 35.125 4.598 -23.649 1.00 0.00 C ATOM 0 H ALA A 75 34.130 2.867 -25.126 1.00 0.00 H new ATOM 0 HA ALA A 75 36.666 3.126 -23.944 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.747 5.206 -22.992 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.182 4.988 -24.665 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.091 4.632 -23.305 1.00 0.00 H new ATOM 1087 N TYR A 76 34.362 1.925 -21.988 1.00 0.00 N ATOM 1088 CA TYR A 76 34.048 1.303 -20.671 1.00 0.00 C ATOM 1089 C TYR A 76 35.045 0.198 -20.365 1.00 0.00 C ATOM 1090 O TYR A 76 35.583 0.120 -19.284 1.00 0.00 O ATOM 1091 CB TYR A 76 32.640 0.710 -20.769 1.00 0.00 C ATOM 1092 CG TYR A 76 32.377 -0.242 -19.648 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.965 0.255 -18.450 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.527 -1.610 -19.820 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.691 -0.590 -17.393 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.252 -2.482 -18.759 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.832 -1.967 -17.538 1.00 0.00 C ATOM 1098 OH TYR A 76 31.558 -2.811 -16.481 1.00 0.00 O ATOM 0 H TYR A 76 33.633 1.798 -22.690 1.00 0.00 H new ATOM 0 HA TYR A 76 34.104 2.046 -19.875 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.902 1.512 -20.749 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.525 0.194 -21.722 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.851 1.322 -18.325 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.855 -2.002 -20.771 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.365 -0.180 -16.448 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.366 -3.548 -18.889 1.00 0.00 H new ATOM 0 HH TYR A 76 32.395 -3.061 -16.037 1.00 0.00 H new ATOM 1108 N VAL A 77 35.288 -0.661 -21.305 1.00 0.00 N ATOM 1109 CA VAL A 77 36.256 -1.760 -21.070 1.00 0.00 C ATOM 1110 C VAL A 77 37.648 -1.156 -20.928 1.00 0.00 C ATOM 1111 O VAL A 77 38.531 -1.730 -20.324 1.00 0.00 O ATOM 1112 CB VAL A 77 36.224 -2.713 -22.259 1.00 0.00 C ATOM 1113 CG1 VAL A 77 36.184 -1.904 -23.532 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.472 -3.603 -22.269 1.00 0.00 C ATOM 0 H VAL A 77 34.857 -0.651 -22.230 1.00 0.00 H new ATOM 0 HA VAL A 77 35.999 -2.309 -20.164 1.00 0.00 H new ATOM 0 HB VAL A 77 35.341 -3.347 -22.182 1.00 0.00 H new ATOM 0 HG11 VAL A 77 36.161 -2.576 -24.390 1.00 0.00 H new ATOM 0 HG12 VAL A 77 35.292 -1.278 -23.537 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.071 -1.272 -23.590 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.432 -4.277 -23.125 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.363 -2.979 -22.340 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.510 -4.187 -21.349 1.00 0.00 H new ATOM 1124 N LEU A 78 37.841 0.011 -21.471 1.00 0.00 N ATOM 1125 CA LEU A 78 39.173 0.664 -21.358 1.00 0.00 C ATOM 1126 C LEU A 78 39.291 1.293 -19.966 1.00 0.00 C ATOM 1127 O LEU A 78 40.348 1.726 -19.553 1.00 0.00 O ATOM 1128 CB LEU A 78 39.320 1.764 -22.419 1.00 0.00 C ATOM 1129 CG LEU A 78 38.644 1.348 -23.735 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.119 2.276 -24.855 1.00 0.00 C ATOM 1131 CD2 LEU A 78 39.018 -0.093 -24.090 1.00 0.00 C ATOM 0 H LEU A 78 37.137 0.540 -21.986 1.00 0.00 H new ATOM 0 HA LEU A 78 39.955 -0.080 -21.511 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.875 2.690 -22.053 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.376 1.966 -22.596 1.00 0.00 H new ATOM 0 HG LEU A 78 37.563 1.418 -23.618 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.644 1.988 -25.793 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.851 3.305 -24.614 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.201 2.198 -24.958 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.533 -0.375 -25.024 1.00 0.00 H new ATOM 0 HD22 LEU A 78 40.099 -0.171 -24.205 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.689 -0.761 -23.294 1.00 0.00 H new ATOM 1143 N ASP A 79 38.198 1.364 -19.256 1.00 0.00 N ATOM 1144 CA ASP A 79 38.195 1.971 -17.915 1.00 0.00 C ATOM 1145 C ASP A 79 38.226 0.876 -16.855 1.00 0.00 C ATOM 1146 O ASP A 79 38.799 1.023 -15.794 1.00 0.00 O ATOM 1147 CB ASP A 79 36.890 2.741 -17.772 1.00 0.00 C ATOM 1148 CG ASP A 79 37.132 4.041 -17.003 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.815 4.902 -17.531 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.631 4.152 -15.896 1.00 0.00 O ATOM 0 H ASP A 79 37.291 1.015 -19.566 1.00 0.00 H new ATOM 0 HA ASP A 79 39.062 2.620 -17.789 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.479 2.962 -18.757 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.154 2.131 -17.249 1.00 0.00 H new ATOM 1155 N GLN A 80 37.576 -0.212 -17.141 1.00 0.00 N ATOM 1156 CA GLN A 80 37.500 -1.337 -16.178 1.00 0.00 C ATOM 1157 C GLN A 80 38.807 -2.123 -16.179 1.00 0.00 C ATOM 1158 O GLN A 80 39.318 -2.500 -15.143 1.00 0.00 O ATOM 1159 CB GLN A 80 36.370 -2.264 -16.610 1.00 0.00 C ATOM 1160 CG GLN A 80 35.130 -1.450 -16.972 1.00 0.00 C ATOM 1161 CD GLN A 80 34.169 -1.445 -15.783 1.00 0.00 C ATOM 1162 OE1 GLN A 80 33.779 -2.489 -15.297 1.00 0.00 O ATOM 1163 NE2 GLN A 80 33.768 -0.305 -15.289 1.00 0.00 N ATOM 0 H GLN A 80 37.084 -0.371 -18.020 1.00 0.00 H new ATOM 0 HA GLN A 80 37.321 -0.946 -15.177 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.686 -2.860 -17.466 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.134 -2.961 -15.806 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.413 -0.430 -17.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.642 -1.878 -17.848 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.095 0.571 -15.697 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.128 -0.290 -14.495 1.00 0.00 H new ATOM 1172 N ALA A 81 39.343 -2.387 -17.333 1.00 0.00 N ATOM 1173 CA ALA A 81 40.611 -3.165 -17.396 1.00 0.00 C ATOM 1174 C ALA A 81 41.777 -2.263 -17.006 1.00 0.00 C ATOM 1175 O ALA A 81 42.829 -2.722 -16.608 1.00 0.00 O ATOM 1176 CB ALA A 81 40.820 -3.679 -18.818 1.00 0.00 C ATOM 0 H ALA A 81 38.961 -2.100 -18.234 1.00 0.00 H new ATOM 0 HA ALA A 81 40.557 -4.009 -16.708 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.748 -4.249 -18.866 1.00 0.00 H new ATOM 0 HB2 ALA A 81 39.985 -4.321 -19.099 1.00 0.00 H new ATOM 0 HB3 ALA A 81 40.877 -2.835 -19.505 1.00 0.00 H new ATOM 1182 N ALA A 82 41.599 -0.982 -17.134 1.00 0.00 N ATOM 1183 CA ALA A 82 42.687 -0.044 -16.792 1.00 0.00 C ATOM 1184 C ALA A 82 42.727 0.205 -15.282 1.00 0.00 C ATOM 1185 O ALA A 82 43.505 1.012 -14.811 1.00 0.00 O ATOM 1186 CB ALA A 82 42.461 1.282 -17.520 1.00 0.00 C ATOM 0 H ALA A 82 40.738 -0.545 -17.464 1.00 0.00 H new ATOM 0 HA ALA A 82 43.637 -0.480 -17.100 1.00 0.00 H new ATOM 0 HB1 ALA A 82 43.263 1.976 -17.269 1.00 0.00 H new ATOM 0 HB2 ALA A 82 42.454 1.110 -18.596 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.505 1.707 -17.214 1.00 0.00 H new ATOM 1192 N LYS A 83 41.909 -0.463 -14.507 1.00 0.00 N ATOM 1193 CA LYS A 83 41.956 -0.209 -13.037 1.00 0.00 C ATOM 1194 C LYS A 83 41.118 -1.215 -12.247 1.00 0.00 C ATOM 1195 O LYS A 83 40.481 -0.860 -11.275 1.00 0.00 O ATOM 1196 CB LYS A 83 41.435 1.197 -12.756 1.00 0.00 C ATOM 1197 CG LYS A 83 39.909 1.224 -12.894 1.00 0.00 C ATOM 1198 CD LYS A 83 39.437 2.664 -13.100 1.00 0.00 C ATOM 1199 CE LYS A 83 39.096 3.289 -11.745 1.00 0.00 C ATOM 1200 NZ LYS A 83 39.885 4.542 -11.561 1.00 0.00 N ATOM 0 H LYS A 83 41.228 -1.155 -14.819 1.00 0.00 H new ATOM 0 HA LYS A 83 42.993 -0.314 -12.717 1.00 0.00 H new ATOM 0 HB2 LYS A 83 41.724 1.507 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 83 41.884 1.907 -13.451 1.00 0.00 H new ATOM 0 HG2 LYS A 83 39.599 0.605 -13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.446 0.803 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 83 40.215 3.245 -13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 83 38.563 2.682 -13.751 1.00 0.00 H new ATOM 0 HE2 LYS A 83 38.029 3.507 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 83 39.318 2.586 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 39.653 4.966 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 40.901 4.321 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 39.652 5.214 -12.320 1.00 0.00 H new ATOM 1214 N GLY A 84 41.124 -2.460 -12.616 1.00 0.00 N ATOM 1215 CA GLY A 84 40.336 -3.444 -11.831 1.00 0.00 C ATOM 1216 C GLY A 84 38.987 -3.684 -12.493 1.00 0.00 C ATOM 1217 O GLY A 84 37.974 -3.209 -12.035 1.00 0.00 O ATOM 0 H GLY A 84 41.633 -2.837 -13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 84 40.884 -4.383 -11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.191 -3.077 -10.815 1.00 0.00 H new ATOM 1221 N TRP A 85 38.990 -4.414 -13.570 1.00 0.00 N ATOM 1222 CA TRP A 85 37.725 -4.730 -14.306 1.00 0.00 C ATOM 1223 C TRP A 85 36.585 -5.029 -13.324 1.00 0.00 C ATOM 1224 O TRP A 85 36.300 -6.170 -13.020 1.00 0.00 O ATOM 1225 CB TRP A 85 37.943 -5.973 -15.172 1.00 0.00 C ATOM 1226 CG TRP A 85 37.774 -5.628 -16.612 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.735 -5.725 -17.556 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.589 -5.135 -17.284 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.207 -5.322 -18.770 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.887 -4.948 -18.649 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.298 -4.835 -16.841 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 35.930 -4.477 -19.546 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.332 -4.352 -17.744 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.649 -4.176 -19.092 1.00 0.00 C ATOM 0 H TRP A 85 39.831 -4.816 -13.984 1.00 0.00 H new ATOM 0 HA TRP A 85 37.461 -3.868 -14.919 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.942 -6.375 -15.001 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.234 -6.751 -14.890 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.748 -6.061 -17.391 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.730 -5.304 -19.645 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.040 -4.974 -15.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.181 -4.346 -20.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.339 -4.116 -17.391 1.00 0.00 H new ATOM 0 HH2 TRP A 85 33.903 -3.808 -19.780 1.00 0.00 H new ATOM 1245 N ALA A 86 35.930 -4.019 -12.831 1.00 0.00 N ATOM 1246 CA ALA A 86 34.809 -4.245 -11.874 1.00 0.00 C ATOM 1247 C ALA A 86 35.242 -5.257 -10.813 1.00 0.00 C ATOM 1248 O ALA A 86 34.427 -5.927 -10.209 1.00 0.00 O ATOM 1249 CB ALA A 86 33.595 -4.788 -12.629 1.00 0.00 C ATOM 0 H ALA A 86 36.122 -3.041 -13.049 1.00 0.00 H new ATOM 0 HA ALA A 86 34.546 -3.303 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 86 32.776 -4.953 -11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.286 -4.068 -13.387 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.857 -5.730 -13.110 1.00 0.00 H new ATOM 1255 N GLY A 87 36.519 -5.375 -10.584 1.00 0.00 N ATOM 1256 CA GLY A 87 37.010 -6.341 -9.567 1.00 0.00 C ATOM 1257 C GLY A 87 36.128 -6.260 -8.320 1.00 0.00 C ATOM 1258 O GLY A 87 35.515 -5.224 -8.120 1.00 0.00 O ATOM 1259 OXT GLY A 87 36.079 -7.234 -7.588 1.00 0.00 O ATOM 0 H GLY A 87 37.246 -4.841 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 87 36.993 -7.353 -9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.045 -6.119 -9.308 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.314 -9.824 -27.195 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.335 -10.611 -28.469 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.499 -6.819 -26.201 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.226 -8.998 -26.114 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.194 -12.907 -27.947 1.00 0.00 C HETATM 1269 NA HEC A 88 34.039 -8.918 -27.303 1.00 0.00 N HETATM 1270 C1A HEC A 88 35.197 -9.380 -27.879 1.00 0.00 C HETATM 1271 C2A HEC A 88 36.268 -8.429 -27.747 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.764 -7.373 -27.074 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.377 -7.679 -26.817 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.508 -6.162 -26.622 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.651 -8.581 -28.267 1.00 0.00 C HETATM 1276 CBA HEC A 88 37.782 -8.037 -29.687 1.00 0.00 C HETATM 1277 CGA HEC A 88 39.048 -8.611 -30.316 1.00 0.00 C HETATM 1278 O1A HEC A 88 40.139 -8.472 -29.698 1.00 0.00 O HETATM 1279 O2A HEC A 88 38.940 -9.194 -31.427 1.00 0.00 O HETATM 1280 NB HEC A 88 31.529 -8.246 -26.356 1.00 0.00 N HETATM 1281 C1B HEC A 88 32.160 -7.083 -25.981 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.235 -6.164 -25.357 1.00 0.00 C HETATM 1283 C3B HEC A 88 30.019 -6.761 -25.386 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.217 -8.052 -25.988 1.00 0.00 C HETATM 1285 CMB HEC A 88 31.573 -4.870 -24.700 1.00 0.00 C HETATM 1286 CAB HEC A 88 28.707 -6.073 -25.257 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.521 -5.070 -26.395 1.00 0.00 C HETATM 1288 NC HEC A 88 30.599 -10.744 -27.069 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.407 -10.260 -26.608 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.380 -11.267 -26.656 1.00 0.00 C HETATM 1291 C3C HEC A 88 28.956 -12.384 -27.154 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.315 -12.037 -27.405 1.00 0.00 C HETATM 1293 CMC HEC A 88 26.967 -11.115 -26.205 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.504 -13.773 -26.902 1.00 0.00 C HETATM 1295 CBC HEC A 88 28.610 -14.639 -28.158 1.00 0.00 C HETATM 1296 ND HEC A 88 33.095 -11.415 -28.019 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.495 -12.627 -28.250 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.376 -13.540 -28.923 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.530 -12.870 -29.126 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.352 -11.564 -28.541 1.00 0.00 C HETATM 1301 CMD HEC A 88 33.062 -14.945 -29.315 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.687 -13.314 -29.943 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.470 -12.970 -31.419 1.00 0.00 C HETATM 1304 CGD HEC A 88 36.604 -12.058 -31.873 1.00 0.00 C HETATM 1305 O1D HEC A 88 36.773 -10.970 -31.258 1.00 0.00 O HETATM 1306 O2D HEC A 88 37.317 -12.439 -32.840 1.00 0.00 O HETATM 0 HMD3 HEC A 88 32.818 -15.525 -28.425 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 32.212 -14.951 -29.997 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 33.927 -15.387 -29.810 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 26.949 -10.866 -25.144 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.487 -10.318 -26.773 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.431 -12.050 -26.368 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.257 -5.051 -23.871 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 32.047 -4.207 -25.424 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 30.662 -4.404 -24.324 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.308 -6.459 -25.944 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 36.935 -5.654 -27.486 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 35.825 -5.488 -26.105 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.450 -13.878 -32.021 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.508 -12.476 -31.556 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 27.989 -14.214 -28.946 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 29.647 -14.671 -28.491 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 28.270 -15.650 -27.933 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.318 -4.327 -26.359 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.556 -5.593 -27.351 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.557 -4.574 -26.288 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 36.908 -8.311 -30.279 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 37.828 -6.948 -29.672 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.598 -12.836 -29.583 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 35.826 -14.389 -29.832 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 38.346 -8.057 -27.611 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 37.931 -9.634 -28.253 1.00 0.00 H new HETATM 0 HHD HEC A 88 30.836 -13.914 -28.160 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.221 -8.721 -25.796 1.00 0.00 H new HETATM 0 HHB HEC A 88 33.887 -5.859 -25.861 1.00 0.00 H new HETATM 0 HHA HEC A 88 36.301 -10.850 -28.915 1.00 0.00 H new HETATM 0 H2D HEC A 88 37.837 -11.682 -33.181 1.00 0.00 H new HETATM 0 H2A HEC A 88 38.101 -9.700 -31.451 1.00 0.00 H new