USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 38 GLY H : A 38 GLY N : A 78 ILE O :(H bumps) USER MOD Set 1.1: A 50 THR OG1 : rot 87:sc= 0.129! USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 87 TYR OH : rot 34:sc= 0.0757 USER MOD Set 2.1: A 17 ASN :FLIP amide:sc= -3.2! C(o=-4.8!,f=-3.4!) USER MOD Set 2.2: A 18 ASN : amide:sc= -0.232 X(o=-3.4,f=-3.7) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 8 ASN :FLIP amide:sc= -0.0463 F(o=-0.76,f=-0.046) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0899 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.533 K(o=-0.53,f=-3.7!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot -63:sc= 0.634 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -16.2! C(o=-16!,f=-26!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 31 THR OG1 : rot 135:sc= -1.19 USER MOD Single : A 32 MET CE :methyl -122:sc= -2.53! (180deg=-4.04!) USER MOD Single : A 37 TYR OH : rot -18:sc= -0.339! USER MOD Single : A 40 ASN : amide:sc= -6.98! C(o=-7!,f=-16!) USER MOD Single : A 44 SER OG : rot 80:sc= -4.65! USER MOD Single : A 46 ASN : amide:sc= -4.3! C(o=-4.3!,f=-7.5!) USER MOD Single : A 47 ASN : amide:sc= -3.57 K(o=-3.6,f=-4.3!) USER MOD Single : A 52 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 54 GLN : amide:sc= -1.82 K(o=-1.8,f=-10!) USER MOD Single : A 56 ASN : amide:sc= 0.173 K(o=0.17,f=-9.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.16) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 148:sc= 0.0162 USER MOD Single : A 74 ASN : amide:sc= -1.12 K(o=-1.1,f=-6.1!) USER MOD Single : A 77 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-8.4!) USER MOD Single : A 79 HIS : no HE2:sc= -9.78! C(o=-9.8!,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= -7.54! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.328 13.038 9.536 1.00 0.00 N ATOM 2 CA MET A 1 -2.869 12.481 8.279 1.00 0.00 C ATOM 3 C MET A 1 -2.378 11.057 8.492 1.00 0.00 C ATOM 4 O MET A 1 -2.097 10.656 9.619 1.00 0.00 O ATOM 5 CB MET A 1 -1.756 13.357 7.712 1.00 0.00 C ATOM 6 CG MET A 1 -2.342 14.326 6.688 1.00 0.00 C ATOM 7 SD MET A 1 -2.582 16.005 7.320 1.00 0.00 S ATOM 8 CE MET A 1 -4.081 16.447 6.406 1.00 0.00 C ATOM 0 H1 MET A 1 -2.986 14.016 9.628 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.368 13.031 9.560 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.960 12.467 10.324 1.00 0.00 H new ATOM 0 HA MET A 1 -3.694 12.456 7.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.269 13.910 8.515 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.992 12.736 7.245 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.683 14.366 5.821 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.300 13.938 6.342 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.382 17.461 6.670 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.883 16.394 5.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.881 15.752 6.662 1.00 0.00 H new ATOM 18 N ILE A 2 -2.275 10.291 7.403 1.00 0.00 N ATOM 19 CA ILE A 2 -1.818 8.918 7.472 1.00 0.00 C ATOM 20 C ILE A 2 -0.463 8.861 8.163 1.00 0.00 C ATOM 21 O ILE A 2 0.366 9.750 7.982 1.00 0.00 O ATOM 22 CB ILE A 2 -1.732 8.339 6.062 1.00 0.00 C ATOM 23 CG1 ILE A 2 -1.268 6.887 6.135 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.736 9.151 5.239 1.00 0.00 C ATOM 25 CD1 ILE A 2 -1.262 6.285 4.733 1.00 0.00 C ATOM 0 H ILE A 2 -2.506 10.609 6.462 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.525 8.323 8.051 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.714 8.383 5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.270 6.834 6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.929 6.315 6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.674 8.738 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.068 10.188 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.246 9.108 5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.931 5.248 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.268 6.325 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.583 6.852 4.096 1.00 0.00 H new ATOM 37 N ASN A 3 -0.238 7.810 8.956 1.00 0.00 N ATOM 38 CA ASN A 3 1.014 7.645 9.667 1.00 0.00 C ATOM 39 C ASN A 3 1.431 6.182 9.649 1.00 0.00 C ATOM 40 O ASN A 3 0.584 5.292 9.612 1.00 0.00 O ATOM 41 CB ASN A 3 0.852 8.143 11.100 1.00 0.00 C ATOM 42 CG ASN A 3 1.625 9.437 11.316 1.00 0.00 C ATOM 43 OD1 ASN A 3 2.408 9.843 10.461 1.00 0.00 O ATOM 44 ND2 ASN A 3 1.401 10.084 12.462 1.00 0.00 N ATOM 0 H ASN A 3 -0.914 7.063 9.116 1.00 0.00 H new ATOM 0 HA ASN A 3 1.794 8.229 9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.204 8.305 11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.206 7.382 11.796 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.890 10.957 12.659 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.740 9.705 13.141 1.00 0.00 H new ATOM 51 N ARG A 4 2.743 5.934 9.675 1.00 0.00 N ATOM 52 CA ARG A 4 3.267 4.583 9.661 1.00 0.00 C ATOM 53 C ARG A 4 3.074 3.941 11.028 1.00 0.00 C ATOM 54 O ARG A 4 3.720 4.333 11.997 1.00 0.00 O ATOM 55 CB ARG A 4 4.745 4.616 9.284 1.00 0.00 C ATOM 56 CG ARG A 4 5.089 3.372 8.470 1.00 0.00 C ATOM 57 CD ARG A 4 5.867 2.391 9.343 1.00 0.00 C ATOM 58 NE ARG A 4 7.284 2.751 9.402 1.00 0.00 N ATOM 59 CZ ARG A 4 8.156 2.133 10.210 1.00 0.00 C ATOM 60 NH1 ARG A 4 7.743 1.139 11.009 1.00 0.00 N ATOM 61 NH2 ARG A 4 9.443 2.508 10.220 1.00 0.00 N ATOM 0 H ARG A 4 3.458 6.661 9.706 1.00 0.00 H new ATOM 0 HA ARG A 4 2.730 3.988 8.923 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.964 5.514 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.360 4.657 10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.177 2.903 8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.681 3.648 7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.448 2.383 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.761 1.382 8.945 1.00 0.00 H new ATOM 0 HE ARG A 4 7.622 3.504 8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.764 0.852 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.408 0.669 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.759 3.264 9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.107 2.037 10.835 1.00 0.00 H new ATOM 75 N THR A 5 2.181 2.951 11.104 1.00 0.00 N ATOM 76 CA THR A 5 1.913 2.263 12.351 1.00 0.00 C ATOM 77 C THR A 5 2.358 0.812 12.249 1.00 0.00 C ATOM 78 O THR A 5 2.388 0.243 11.160 1.00 0.00 O ATOM 79 CB THR A 5 0.422 2.350 12.668 1.00 0.00 C ATOM 80 OG1 THR A 5 0.183 1.816 13.950 1.00 0.00 O ATOM 81 CG2 THR A 5 -0.365 1.555 11.630 1.00 0.00 C ATOM 0 H THR A 5 1.635 2.614 10.311 1.00 0.00 H new ATOM 0 HA THR A 5 2.472 2.736 13.158 1.00 0.00 H new ATOM 0 HB THR A 5 0.105 3.393 12.644 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.774 1.873 14.155 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.430 1.616 11.855 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.180 1.968 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.049 0.512 11.654 1.00 0.00 H new ATOM 89 N ASP A 6 2.706 0.212 13.390 1.00 0.00 N ATOM 90 CA ASP A 6 3.149 -1.167 13.424 1.00 0.00 C ATOM 91 C ASP A 6 1.957 -2.085 13.655 1.00 0.00 C ATOM 92 O ASP A 6 2.086 -3.123 14.300 1.00 0.00 O ATOM 93 CB ASP A 6 4.187 -1.340 14.530 1.00 0.00 C ATOM 94 CG ASP A 6 5.381 -2.142 14.033 1.00 0.00 C ATOM 95 OD1 ASP A 6 5.154 -3.035 13.188 1.00 0.00 O ATOM 96 OD2 ASP A 6 6.499 -1.848 14.508 1.00 0.00 O ATOM 0 H ASP A 6 2.686 0.669 14.301 1.00 0.00 H new ATOM 0 HA ASP A 6 3.606 -1.430 12.470 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.520 -0.362 14.878 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.734 -1.845 15.383 1.00 0.00 H new ATOM 101 N CYS A 7 0.793 -1.699 13.126 1.00 0.00 N ATOM 102 CA CYS A 7 -0.414 -2.487 13.277 1.00 0.00 C ATOM 103 C CYS A 7 -0.574 -2.910 14.730 1.00 0.00 C ATOM 104 O CYS A 7 -0.115 -3.981 15.121 1.00 0.00 O ATOM 105 CB CYS A 7 -0.342 -3.706 12.363 1.00 0.00 C ATOM 106 SG CYS A 7 1.343 -4.187 11.908 1.00 0.00 S ATOM 0 H CYS A 7 0.670 -0.841 12.589 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.281 -1.890 12.996 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.828 -4.547 12.857 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.908 -3.500 11.454 1.00 0.00 H new ATOM 111 N ASN A 8 -1.228 -2.066 15.532 1.00 0.00 N ATOM 112 CA ASN A 8 -1.444 -2.358 16.934 1.00 0.00 C ATOM 113 C ASN A 8 -2.832 -2.951 17.133 1.00 0.00 C ATOM 114 O ASN A 8 -3.201 -3.313 18.248 1.00 0.00 O ATOM 115 CB ASN A 8 -1.281 -1.079 17.750 1.00 0.00 C ATOM 116 CG ASN A 8 0.061 -0.420 17.464 1.00 0.00 C ATOM 117 OD1 ASN A 8 0.142 0.313 16.351 1.00 0.00 O flip ATOM 118 ND2 ASN A 8 1.006 -0.571 18.234 1.00 0.00 N flip ATOM 0 H ASN A 8 -1.615 -1.174 15.224 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.709 -3.087 17.273 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.089 -0.386 17.513 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.359 -1.308 18.813 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.895 -1.141 19.072 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.902 -0.126 18.035 1.00 0.00 H new ATOM 125 N GLU A 9 -3.602 -3.050 16.047 1.00 0.00 N ATOM 126 CA GLU A 9 -4.941 -3.599 16.109 1.00 0.00 C ATOM 127 C GLU A 9 -5.326 -4.185 14.758 1.00 0.00 C ATOM 128 O GLU A 9 -5.214 -3.515 13.733 1.00 0.00 O ATOM 129 CB GLU A 9 -5.920 -2.503 16.522 1.00 0.00 C ATOM 130 CG GLU A 9 -7.337 -3.069 16.546 1.00 0.00 C ATOM 131 CD GLU A 9 -8.360 -1.984 16.240 1.00 0.00 C ATOM 132 OE1 GLU A 9 -8.815 -1.343 17.211 1.00 0.00 O ATOM 133 OE2 GLU A 9 -8.666 -1.817 15.039 1.00 0.00 O ATOM 0 H GLU A 9 -3.312 -2.754 15.115 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.975 -4.398 16.850 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.655 -2.116 17.506 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.862 -1.667 15.824 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.424 -3.873 15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.543 -3.503 17.524 1.00 0.00 H new ATOM 140 N ASN A 10 -5.782 -5.440 14.758 1.00 0.00 N ATOM 141 CA ASN A 10 -6.181 -6.106 13.535 1.00 0.00 C ATOM 142 C ASN A 10 -7.096 -5.199 12.724 1.00 0.00 C ATOM 143 O ASN A 10 -7.562 -4.177 13.223 1.00 0.00 O ATOM 144 CB ASN A 10 -6.886 -7.416 13.878 1.00 0.00 C ATOM 145 CG ASN A 10 -5.890 -8.564 13.954 1.00 0.00 C ATOM 146 OD1 ASN A 10 -5.106 -8.647 14.897 1.00 0.00 O ATOM 147 ND2 ASN A 10 -5.923 -9.452 12.958 1.00 0.00 N ATOM 0 H ASN A 10 -5.881 -6.009 15.599 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.299 -6.327 12.934 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.405 -7.316 14.831 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.643 -7.635 13.124 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.279 -10.243 12.958 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.593 -9.340 12.197 1.00 0.00 H new ATOM 154 N SER A 11 -7.352 -5.575 11.469 1.00 0.00 N ATOM 155 CA SER A 11 -8.209 -4.796 10.599 1.00 0.00 C ATOM 156 C SER A 11 -7.509 -3.502 10.208 1.00 0.00 C ATOM 157 O SER A 11 -7.861 -2.431 10.698 1.00 0.00 O ATOM 158 CB SER A 11 -9.527 -4.505 11.311 1.00 0.00 C ATOM 159 OG SER A 11 -9.906 -3.169 11.068 1.00 0.00 O ATOM 0 H SER A 11 -6.972 -6.419 11.040 1.00 0.00 H new ATOM 0 HA SER A 11 -8.420 -5.360 9.690 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.302 -5.185 10.957 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.419 -4.675 12.382 1.00 0.00 H new ATOM 0 HG SER A 11 -9.239 -2.564 11.455 1.00 0.00 H new ATOM 165 N TYR A 12 -6.517 -3.602 9.321 1.00 0.00 N ATOM 166 CA TYR A 12 -5.775 -2.441 8.872 1.00 0.00 C ATOM 167 C TYR A 12 -5.004 -2.780 7.604 1.00 0.00 C ATOM 168 O TYR A 12 -4.947 -3.940 7.201 1.00 0.00 O ATOM 169 CB TYR A 12 -4.826 -1.987 9.977 1.00 0.00 C ATOM 170 CG TYR A 12 -5.420 -0.938 10.887 1.00 0.00 C ATOM 171 CD1 TYR A 12 -6.335 -0.008 10.381 1.00 0.00 C ATOM 172 CD2 TYR A 12 -5.054 -0.896 12.238 1.00 0.00 C ATOM 173 CE1 TYR A 12 -6.886 0.963 11.225 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.604 0.076 13.082 1.00 0.00 C ATOM 175 CZ TYR A 12 -6.521 1.006 12.576 1.00 0.00 C ATOM 176 OH TYR A 12 -7.057 1.952 13.398 1.00 0.00 O ATOM 0 H TYR A 12 -6.214 -4.482 8.903 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.465 -1.628 8.647 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.535 -2.852 10.573 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.917 -1.592 9.524 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.616 -0.040 9.339 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.348 -1.613 12.629 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.593 1.680 10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.321 0.109 14.124 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.698 1.840 14.303 1.00 0.00 H new ATOM 186 N LEU A 13 -4.409 -1.764 6.975 1.00 0.00 N ATOM 187 CA LEU A 13 -3.646 -1.958 5.759 1.00 0.00 C ATOM 188 C LEU A 13 -2.179 -2.183 6.100 1.00 0.00 C ATOM 189 O LEU A 13 -1.607 -1.449 6.903 1.00 0.00 O ATOM 190 CB LEU A 13 -3.809 -0.739 4.856 1.00 0.00 C ATOM 191 CG LEU A 13 -2.668 -0.699 3.844 1.00 0.00 C ATOM 192 CD1 LEU A 13 -3.094 -1.416 2.566 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.324 0.753 3.523 1.00 0.00 C ATOM 0 H LEU A 13 -4.447 -0.797 7.297 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.015 -2.837 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.767 -0.782 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.811 0.172 5.454 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.793 -1.196 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.278 -1.387 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.339 -2.453 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.969 -0.921 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.509 0.783 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.199 1.250 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.018 1.265 4.436 1.00 0.00 H new ATOM 205 N GLU A 14 -1.571 -3.201 5.487 1.00 0.00 N ATOM 206 CA GLU A 14 -0.177 -3.513 5.729 1.00 0.00 C ATOM 207 C GLU A 14 0.493 -3.940 4.431 1.00 0.00 C ATOM 208 O GLU A 14 0.067 -4.903 3.797 1.00 0.00 O ATOM 209 CB GLU A 14 -0.079 -4.618 6.777 1.00 0.00 C ATOM 210 CG GLU A 14 -0.897 -4.229 8.005 1.00 0.00 C ATOM 211 CD GLU A 14 -2.289 -4.839 7.946 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.429 -5.868 7.250 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.188 -4.267 8.599 1.00 0.00 O ATOM 0 H GLU A 14 -2.031 -3.820 4.819 1.00 0.00 H new ATOM 0 HA GLU A 14 0.337 -2.627 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.446 -5.558 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.962 -4.778 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.387 -4.564 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.974 -3.143 8.067 1.00 0.00 H new ATOM 220 N ILE A 15 1.546 -3.220 4.037 1.00 0.00 N ATOM 221 CA ILE A 15 2.272 -3.526 2.820 1.00 0.00 C ATOM 222 C ILE A 15 3.653 -4.066 3.166 1.00 0.00 C ATOM 223 O ILE A 15 4.429 -3.398 3.845 1.00 0.00 O ATOM 224 CB ILE A 15 2.381 -2.268 1.963 1.00 0.00 C ATOM 225 CG1 ILE A 15 1.004 -1.624 1.827 1.00 0.00 C ATOM 226 CG2 ILE A 15 2.908 -2.639 0.580 1.00 0.00 C ATOM 227 CD1 ILE A 15 1.166 -0.137 1.524 1.00 0.00 C ATOM 0 H ILE A 15 1.910 -2.418 4.552 1.00 0.00 H new ATOM 0 HA ILE A 15 1.737 -4.289 2.254 1.00 0.00 H new ATOM 0 HB ILE A 15 3.066 -1.564 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.441 -2.109 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.435 -1.759 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.986 -1.741 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.891 -3.099 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.223 -3.343 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.183 0.324 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.713 0.342 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.718 -0.014 0.592 1.00 0.00 H new ATOM 239 N HIS A 16 3.957 -5.278 2.697 1.00 0.00 N ATOM 240 CA HIS A 16 5.239 -5.901 2.959 1.00 0.00 C ATOM 241 C HIS A 16 5.972 -6.144 1.646 1.00 0.00 C ATOM 242 O HIS A 16 5.659 -7.088 0.925 1.00 0.00 O ATOM 243 CB HIS A 16 5.023 -7.212 3.708 1.00 0.00 C ATOM 244 CG HIS A 16 4.126 -8.164 2.966 1.00 0.00 C ATOM 245 ND1 HIS A 16 4.533 -9.292 2.279 1.00 0.00 N ATOM 246 CD2 HIS A 16 2.767 -8.062 2.854 1.00 0.00 C ATOM 247 CE1 HIS A 16 3.434 -9.867 1.757 1.00 0.00 C ATOM 248 NE2 HIS A 16 2.353 -9.137 2.093 1.00 0.00 N ATOM 0 H HIS A 16 3.323 -5.843 2.132 1.00 0.00 H new ATOM 0 HA HIS A 16 5.849 -5.242 3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.987 -7.689 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.591 -7.000 4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.140 -7.291 3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.421 -10.769 1.164 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.390 -9.344 1.829 1.00 0.00 H new ATOM 257 N ASN A 17 6.950 -5.289 1.339 1.00 0.00 N ATOM 258 CA ASN A 17 7.720 -5.418 0.118 1.00 0.00 C ATOM 259 C ASN A 17 9.073 -6.045 0.421 1.00 0.00 C ATOM 260 O ASN A 17 9.310 -6.507 1.535 1.00 0.00 O ATOM 261 CB ASN A 17 7.893 -4.042 -0.520 1.00 0.00 C ATOM 262 CG ASN A 17 8.513 -3.061 0.465 1.00 0.00 C ATOM 263 OD1 ASN A 17 7.668 -2.345 1.209 1.00 0.00 O flip ATOM 264 ND2 ASN A 17 9.734 -2.952 0.548 1.00 0.00 N flip ATOM 0 H ASN A 17 7.222 -4.501 1.926 1.00 0.00 H new ATOM 0 HA ASN A 17 7.192 -6.066 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.525 -4.124 -1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.925 -3.667 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.338 -3.523 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.143 -2.291 1.208 1.00 0.00 H new ATOM 271 N ASN A 18 9.961 -6.061 -0.575 1.00 0.00 N ATOM 272 CA ASN A 18 11.284 -6.630 -0.409 1.00 0.00 C ATOM 273 C ASN A 18 11.172 -8.089 0.010 1.00 0.00 C ATOM 274 O ASN A 18 12.129 -8.667 0.521 1.00 0.00 O ATOM 275 CB ASN A 18 12.054 -5.826 0.635 1.00 0.00 C ATOM 276 CG ASN A 18 12.804 -4.671 -0.014 1.00 0.00 C ATOM 277 OD1 ASN A 18 13.456 -4.851 -1.040 1.00 0.00 O ATOM 278 ND2 ASN A 18 12.708 -3.483 0.587 1.00 0.00 N ATOM 0 H ASN A 18 9.779 -5.683 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 18 11.823 -6.586 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.363 -5.441 1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.758 -6.476 1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.189 -2.673 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.154 -3.385 1.438 1.00 0.00 H new ATOM 285 N GLU A 19 9.998 -8.686 -0.209 1.00 0.00 N ATOM 286 CA GLU A 19 9.770 -10.073 0.145 1.00 0.00 C ATOM 287 C GLU A 19 9.706 -10.219 1.659 1.00 0.00 C ATOM 288 O GLU A 19 10.623 -10.761 2.272 1.00 0.00 O ATOM 289 CB GLU A 19 10.889 -10.934 -0.434 1.00 0.00 C ATOM 290 CG GLU A 19 10.958 -10.730 -1.945 1.00 0.00 C ATOM 291 CD GLU A 19 12.184 -11.415 -2.530 1.00 0.00 C ATOM 292 OE1 GLU A 19 12.133 -12.657 -2.663 1.00 0.00 O ATOM 293 OE2 GLU A 19 13.151 -10.683 -2.835 1.00 0.00 O ATOM 0 H GLU A 19 9.194 -8.222 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 19 8.819 -10.406 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.842 -10.667 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.709 -11.985 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.057 -11.128 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.989 -9.664 -2.171 1.00 0.00 H new ATOM 300 N GLY A 20 8.618 -9.734 2.262 1.00 0.00 N ATOM 301 CA GLY A 20 8.445 -9.815 3.698 1.00 0.00 C ATOM 302 C GLY A 20 9.693 -9.313 4.410 1.00 0.00 C ATOM 303 O GLY A 20 10.089 -9.862 5.436 1.00 0.00 O ATOM 0 H GLY A 20 7.848 -9.282 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.582 -9.222 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.242 -10.846 3.989 1.00 0.00 H new ATOM 307 N ARG A 21 10.313 -8.266 3.862 1.00 0.00 N ATOM 308 CA ARG A 21 11.511 -7.696 4.443 1.00 0.00 C ATOM 309 C ARG A 21 11.147 -6.487 5.294 1.00 0.00 C ATOM 310 O ARG A 21 11.561 -6.391 6.447 1.00 0.00 O ATOM 311 CB ARG A 21 12.478 -7.302 3.330 1.00 0.00 C ATOM 312 CG ARG A 21 13.910 -7.375 3.850 1.00 0.00 C ATOM 313 CD ARG A 21 14.192 -6.165 4.738 1.00 0.00 C ATOM 314 NE ARG A 21 15.603 -5.786 4.677 1.00 0.00 N ATOM 315 CZ ARG A 21 16.579 -6.533 5.211 1.00 0.00 C ATOM 316 NH1 ARG A 21 16.280 -7.682 5.833 1.00 0.00 N ATOM 317 NH2 ARG A 21 17.855 -6.131 5.124 1.00 0.00 N ATOM 0 H ARG A 21 9.996 -7.800 3.012 1.00 0.00 H new ATOM 0 HA ARG A 21 11.995 -8.433 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.356 -7.967 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.257 -6.293 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.057 -8.296 4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.611 -7.398 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.573 -5.326 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.918 -6.394 5.768 1.00 0.00 H new ATOM 0 HE ARG A 21 15.855 -4.916 4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.309 -7.988 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.023 -8.250 6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.083 -5.256 4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.598 -6.700 5.531 1.00 0.00 H new ATOM 331 N ASP A 22 10.371 -5.564 4.722 1.00 0.00 N ATOM 332 CA ASP A 22 9.957 -4.369 5.429 1.00 0.00 C ATOM 333 C ASP A 22 8.453 -4.183 5.289 1.00 0.00 C ATOM 334 O ASP A 22 7.953 -3.963 4.188 1.00 0.00 O ATOM 335 CB ASP A 22 10.705 -3.163 4.869 1.00 0.00 C ATOM 336 CG ASP A 22 12.193 -3.254 5.180 1.00 0.00 C ATOM 337 OD1 ASP A 22 12.542 -4.089 6.042 1.00 0.00 O ATOM 338 OD2 ASP A 22 12.952 -2.486 4.550 1.00 0.00 O ATOM 0 H ASP A 22 10.020 -5.630 3.767 1.00 0.00 H new ATOM 0 HA ASP A 22 10.194 -4.467 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.558 -3.107 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.296 -2.247 5.294 1.00 0.00 H new ATOM 343 N THR A 23 7.730 -4.273 6.408 1.00 0.00 N ATOM 344 CA THR A 23 6.290 -4.113 6.399 1.00 0.00 C ATOM 345 C THR A 23 5.920 -2.720 6.887 1.00 0.00 C ATOM 346 O THR A 23 6.644 -2.124 7.681 1.00 0.00 O ATOM 347 CB THR A 23 5.656 -5.182 7.284 1.00 0.00 C ATOM 348 OG1 THR A 23 5.972 -6.459 6.779 1.00 0.00 O ATOM 349 CG2 THR A 23 4.141 -5.000 7.295 1.00 0.00 C ATOM 0 H THR A 23 8.128 -4.456 7.329 1.00 0.00 H new ATOM 0 HA THR A 23 5.914 -4.230 5.382 1.00 0.00 H new ATOM 0 HB THR A 23 6.041 -5.088 8.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.566 -7.146 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.687 -5.763 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.896 -4.013 7.686 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.756 -5.094 6.280 1.00 0.00 H new ATOM 357 N LEU A 24 4.787 -2.200 6.408 1.00 0.00 N ATOM 358 CA LEU A 24 4.325 -0.883 6.796 1.00 0.00 C ATOM 359 C LEU A 24 2.825 -0.916 7.054 1.00 0.00 C ATOM 360 O LEU A 24 2.037 -1.073 6.125 1.00 0.00 O ATOM 361 CB LEU A 24 4.662 0.118 5.695 1.00 0.00 C ATOM 362 CG LEU A 24 6.033 -0.210 5.111 1.00 0.00 C ATOM 363 CD1 LEU A 24 5.883 -0.590 3.641 1.00 0.00 C ATOM 364 CD2 LEU A 24 6.943 1.009 5.232 1.00 0.00 C ATOM 0 H LEU A 24 4.176 -2.681 5.748 1.00 0.00 H new ATOM 0 HA LEU A 24 4.824 -0.575 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.904 0.083 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.659 1.131 6.097 1.00 0.00 H new ATOM 0 HG LEU A 24 6.470 -1.045 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.862 -0.824 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.234 -1.462 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.445 0.244 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.922 0.775 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.506 1.845 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.051 1.279 6.282 1.00 0.00 H new ATOM 376 N CYS A 25 2.433 -0.767 8.321 1.00 0.00 N ATOM 377 CA CYS A 25 1.033 -0.780 8.696 1.00 0.00 C ATOM 378 C CYS A 25 0.510 0.647 8.783 1.00 0.00 C ATOM 379 O CYS A 25 0.999 1.440 9.584 1.00 0.00 O ATOM 380 CB CYS A 25 0.871 -1.498 10.032 1.00 0.00 C ATOM 381 SG CYS A 25 1.945 -2.943 10.225 1.00 0.00 S ATOM 0 H CYS A 25 3.075 -0.636 9.102 1.00 0.00 H new ATOM 0 HA CYS A 25 0.455 -1.313 7.941 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.077 -0.794 10.839 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.167 -1.812 10.141 1.00 0.00 H new ATOM 386 N PHE A 26 -0.485 0.972 7.955 1.00 0.00 N ATOM 387 CA PHE A 26 -1.066 2.300 7.946 1.00 0.00 C ATOM 388 C PHE A 26 -2.457 2.260 8.563 1.00 0.00 C ATOM 389 O PHE A 26 -3.140 1.241 8.493 1.00 0.00 O ATOM 390 CB PHE A 26 -1.125 2.817 6.511 1.00 0.00 C ATOM 391 CG PHE A 26 0.234 3.039 5.894 1.00 0.00 C ATOM 392 CD1 PHE A 26 0.906 4.251 6.097 1.00 0.00 C ATOM 393 CD2 PHE A 26 0.825 2.033 5.120 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.168 4.456 5.527 1.00 0.00 C ATOM 395 CE2 PHE A 26 2.087 2.238 4.549 1.00 0.00 C ATOM 396 CZ PHE A 26 2.758 3.450 4.753 1.00 0.00 C ATOM 0 H PHE A 26 -0.900 0.326 7.284 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.448 2.976 8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.681 2.106 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.680 3.755 6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.450 5.028 6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.307 1.098 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.686 5.390 5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.542 1.462 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.731 3.609 4.313 1.00 0.00 H new ATOM 406 N ALA A 27 -2.874 3.373 9.170 1.00 0.00 N ATOM 407 CA ALA A 27 -4.178 3.460 9.796 1.00 0.00 C ATOM 408 C ALA A 27 -4.779 4.836 9.548 1.00 0.00 C ATOM 409 O ALA A 27 -4.125 5.708 8.980 1.00 0.00 O ATOM 410 CB ALA A 27 -4.041 3.191 11.292 1.00 0.00 C ATOM 0 H ALA A 27 -2.318 4.226 9.237 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.844 2.712 9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.021 3.256 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.629 2.194 11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.375 3.931 11.735 1.00 0.00 H new ATOM 416 N ASN A 28 -6.030 5.029 9.974 1.00 0.00 N ATOM 417 CA ASN A 28 -6.709 6.297 9.795 1.00 0.00 C ATOM 418 C ASN A 28 -6.985 6.533 8.317 1.00 0.00 C ATOM 419 O ASN A 28 -6.176 6.172 7.466 1.00 0.00 O ATOM 420 CB ASN A 28 -5.849 7.418 10.370 1.00 0.00 C ATOM 421 CG ASN A 28 -5.957 7.462 11.888 1.00 0.00 C ATOM 422 OD1 ASN A 28 -7.046 7.640 12.429 1.00 0.00 O ATOM 423 ND2 ASN A 28 -4.824 7.298 12.574 1.00 0.00 N ATOM 0 H ASN A 28 -6.587 4.316 10.445 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.663 6.280 10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.809 7.269 10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.163 8.374 9.951 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.838 7.317 13.594 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.944 7.153 12.079 1.00 0.00 H new ATOM 430 N ALA A 29 -8.134 7.143 8.014 1.00 0.00 N ATOM 431 CA ALA A 29 -8.512 7.424 6.643 1.00 0.00 C ATOM 432 C ALA A 29 -7.523 8.403 6.027 1.00 0.00 C ATOM 433 O ALA A 29 -7.613 8.715 4.841 1.00 0.00 O ATOM 434 CB ALA A 29 -9.927 7.993 6.614 1.00 0.00 C ATOM 0 H ALA A 29 -8.815 7.449 8.709 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.493 6.504 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.213 8.205 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.620 7.268 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.961 8.914 7.197 1.00 0.00 H new ATOM 440 N GLY A 30 -6.577 8.888 6.834 1.00 0.00 N ATOM 441 CA GLY A 30 -5.581 9.828 6.359 1.00 0.00 C ATOM 442 C GLY A 30 -5.008 9.362 5.028 1.00 0.00 C ATOM 443 O GLY A 30 -5.062 8.177 4.706 1.00 0.00 O ATOM 0 H GLY A 30 -6.487 8.640 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.028 10.815 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.781 9.923 7.094 1.00 0.00 H new ATOM 447 N THR A 31 -4.459 10.300 4.252 1.00 0.00 N ATOM 448 CA THR A 31 -3.881 9.978 2.963 1.00 0.00 C ATOM 449 C THR A 31 -2.593 10.764 2.761 1.00 0.00 C ATOM 450 O THR A 31 -2.605 11.993 2.767 1.00 0.00 O ATOM 451 CB THR A 31 -4.888 10.298 1.861 1.00 0.00 C ATOM 452 OG1 THR A 31 -5.962 9.387 1.928 1.00 0.00 O ATOM 453 CG2 THR A 31 -4.207 10.182 0.500 1.00 0.00 C ATOM 0 H THR A 31 -4.407 11.287 4.502 1.00 0.00 H new ATOM 0 HA THR A 31 -3.643 8.915 2.924 1.00 0.00 H new ATOM 0 HB THR A 31 -5.263 11.313 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.809 9.872 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.926 10.410 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.376 10.885 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.832 9.167 0.366 1.00 0.00 H new ATOM 461 N MET A 32 -1.479 10.050 2.580 1.00 0.00 N ATOM 462 CA MET A 32 -0.192 10.685 2.379 1.00 0.00 C ATOM 463 C MET A 32 0.611 9.911 1.344 1.00 0.00 C ATOM 464 O MET A 32 0.352 8.732 1.108 1.00 0.00 O ATOM 465 CB MET A 32 0.557 10.745 3.707 1.00 0.00 C ATOM 466 CG MET A 32 1.204 9.392 3.989 1.00 0.00 C ATOM 467 SD MET A 32 2.096 9.317 5.562 1.00 0.00 S ATOM 468 CE MET A 32 2.517 7.557 5.572 1.00 0.00 C ATOM 0 H MET A 32 -1.452 9.030 2.570 1.00 0.00 H new ATOM 0 HA MET A 32 -0.338 11.701 2.011 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.319 11.524 3.672 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.130 11.006 4.512 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.431 8.623 3.984 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.895 9.155 3.180 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.107 7.090 6.467 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.097 7.077 4.688 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.601 7.442 5.567 1.00 0.00 H new ATOM 478 N PRO A 33 1.588 10.577 0.725 1.00 0.00 N ATOM 479 CA PRO A 33 2.454 10.005 -0.284 1.00 0.00 C ATOM 480 C PRO A 33 3.431 9.038 0.370 1.00 0.00 C ATOM 481 O PRO A 33 4.032 9.358 1.393 1.00 0.00 O ATOM 482 CB PRO A 33 3.188 11.198 -0.891 1.00 0.00 C ATOM 483 CG PRO A 33 3.256 12.183 0.275 1.00 0.00 C ATOM 484 CD PRO A 33 1.919 11.963 0.978 1.00 0.00 C ATOM 0 HA PRO A 33 1.909 9.442 -1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.181 10.923 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.648 11.615 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.099 11.974 0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.368 13.211 -0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.997 12.162 2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.152 12.630 0.585 1.00 0.00 H new ATOM 492 N VAL A 34 3.587 7.853 -0.223 1.00 0.00 N ATOM 493 CA VAL A 34 4.486 6.846 0.303 1.00 0.00 C ATOM 494 C VAL A 34 5.299 6.238 -0.831 1.00 0.00 C ATOM 495 O VAL A 34 4.918 6.341 -1.994 1.00 0.00 O ATOM 496 CB VAL A 34 3.679 5.772 1.027 1.00 0.00 C ATOM 497 CG1 VAL A 34 2.670 6.436 1.960 1.00 0.00 C ATOM 498 CG2 VAL A 34 2.939 4.916 0.003 1.00 0.00 C ATOM 0 H VAL A 34 3.096 7.574 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 34 5.175 7.303 1.013 1.00 0.00 H new ATOM 0 HB VAL A 34 4.352 5.142 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.093 5.669 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.198 7.048 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.997 7.066 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.362 4.148 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.266 5.546 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.659 4.442 -0.663 1.00 0.00 H new ATOM 508 N ALA A 35 6.422 5.602 -0.488 1.00 0.00 N ATOM 509 CA ALA A 35 7.281 4.982 -1.476 1.00 0.00 C ATOM 510 C ALA A 35 7.587 3.549 -1.067 1.00 0.00 C ATOM 511 O ALA A 35 8.291 3.318 -0.086 1.00 0.00 O ATOM 512 CB ALA A 35 8.567 5.793 -1.611 1.00 0.00 C ATOM 0 H ALA A 35 6.751 5.508 0.473 1.00 0.00 H new ATOM 0 HA ALA A 35 6.776 4.963 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.214 5.328 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.326 6.808 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.081 5.823 -0.650 1.00 0.00 H new ATOM 518 N ILE A 36 7.056 2.584 -1.822 1.00 0.00 N ATOM 519 CA ILE A 36 7.275 1.180 -1.537 1.00 0.00 C ATOM 520 C ILE A 36 7.686 0.454 -2.811 1.00 0.00 C ATOM 521 O ILE A 36 6.888 0.320 -3.736 1.00 0.00 O ATOM 522 CB ILE A 36 5.999 0.575 -0.957 1.00 0.00 C ATOM 523 CG1 ILE A 36 5.816 1.056 0.480 1.00 0.00 C ATOM 524 CG2 ILE A 36 6.105 -0.947 -0.975 1.00 0.00 C ATOM 525 CD1 ILE A 36 4.400 1.596 0.658 1.00 0.00 C ATOM 0 H ILE A 36 6.469 2.760 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 36 8.077 1.073 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 36 5.143 0.887 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.994 0.235 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.545 1.833 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.194 -1.380 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.236 -1.290 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.960 -1.259 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.268 1.940 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.239 2.428 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.680 0.806 0.445 1.00 0.00 H new ATOM 537 N TYR A 37 8.935 -0.014 -2.857 1.00 0.00 N ATOM 538 CA TYR A 37 9.443 -0.721 -4.016 1.00 0.00 C ATOM 539 C TYR A 37 9.438 -2.219 -3.750 1.00 0.00 C ATOM 540 O TYR A 37 9.863 -2.665 -2.686 1.00 0.00 O ATOM 541 CB TYR A 37 10.854 -0.232 -4.329 1.00 0.00 C ATOM 542 CG TYR A 37 10.939 1.259 -4.558 1.00 0.00 C ATOM 543 CD1 TYR A 37 10.870 2.138 -3.471 1.00 0.00 C ATOM 544 CD2 TYR A 37 11.086 1.760 -5.857 1.00 0.00 C ATOM 545 CE1 TYR A 37 10.949 3.520 -3.683 1.00 0.00 C ATOM 546 CE2 TYR A 37 11.166 3.142 -6.068 1.00 0.00 C ATOM 547 CZ TYR A 37 11.097 4.022 -4.982 1.00 0.00 C ATOM 548 OH TYR A 37 11.175 5.368 -5.188 1.00 0.00 O ATOM 0 H TYR A 37 9.609 0.089 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 37 8.804 -0.524 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.515 -0.503 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.221 -0.749 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.756 1.751 -2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.138 1.081 -6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.896 4.199 -2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.281 3.529 -7.070 1.00 0.00 H new ATOM 0 HH TYR A 37 10.828 5.840 -4.402 1.00 0.00 H new ATOM 558 N GLY A 38 8.954 -2.999 -4.720 1.00 0.00 N ATOM 559 CA GLY A 38 8.899 -4.440 -4.582 1.00 0.00 C ATOM 560 C GLY A 38 7.731 -4.840 -3.690 1.00 0.00 C ATOM 561 O GLY A 38 7.933 -5.316 -2.575 1.00 0.00 O ATOM 0 HA2 GLY A 38 8.791 -4.903 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.833 -4.808 -4.157 1.00 0.00 H new ATOM 565 N VAL A 39 6.507 -4.644 -4.185 1.00 0.00 N ATOM 566 CA VAL A 39 5.315 -4.983 -3.433 1.00 0.00 C ATOM 567 C VAL A 39 5.033 -6.473 -3.561 1.00 0.00 C ATOM 568 O VAL A 39 4.911 -6.990 -4.669 1.00 0.00 O ATOM 569 CB VAL A 39 4.138 -4.162 -3.952 1.00 0.00 C ATOM 570 CG1 VAL A 39 2.918 -4.407 -3.067 1.00 0.00 C ATOM 571 CG2 VAL A 39 4.498 -2.680 -3.921 1.00 0.00 C ATOM 0 H VAL A 39 6.324 -4.250 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 39 5.465 -4.751 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 39 3.911 -4.459 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.077 -3.821 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.660 -5.466 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.145 -4.109 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.657 -2.094 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.725 -2.382 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.369 -2.504 -4.552 1.00 0.00 H new ATOM 581 N ASN A 40 4.928 -7.162 -2.422 1.00 0.00 N ATOM 582 CA ASN A 40 4.660 -8.586 -2.415 1.00 0.00 C ATOM 583 C ASN A 40 3.196 -8.837 -2.085 1.00 0.00 C ATOM 584 O ASN A 40 2.528 -9.615 -2.762 1.00 0.00 O ATOM 585 CB ASN A 40 5.568 -9.268 -1.395 1.00 0.00 C ATOM 586 CG ASN A 40 6.970 -8.677 -1.436 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.354 -7.924 -0.543 1.00 0.00 O ATOM 588 ND2 ASN A 40 7.735 -9.020 -2.474 1.00 0.00 N ATOM 0 H ASN A 40 5.026 -6.748 -1.495 1.00 0.00 H new ATOM 0 HA ASN A 40 4.864 -9.002 -3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.149 -9.153 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.614 -10.338 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.684 -8.654 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.371 -9.649 -3.190 1.00 0.00 H new ATOM 595 N TRP A 41 2.695 -8.173 -1.040 1.00 0.00 N ATOM 596 CA TRP A 41 1.314 -8.328 -0.631 1.00 0.00 C ATOM 597 C TRP A 41 0.905 -7.167 0.265 1.00 0.00 C ATOM 598 O TRP A 41 1.740 -6.594 0.962 1.00 0.00 O ATOM 599 CB TRP A 41 1.147 -9.658 0.098 1.00 0.00 C ATOM 600 CG TRP A 41 -0.118 -9.790 0.886 1.00 0.00 C ATOM 601 CD1 TRP A 41 -0.559 -8.906 1.807 1.00 0.00 C ATOM 602 CD2 TRP A 41 -1.117 -10.854 0.843 1.00 0.00 C ATOM 603 NE1 TRP A 41 -1.755 -9.346 2.334 1.00 0.00 N ATOM 604 CE2 TRP A 41 -2.146 -10.545 1.774 1.00 0.00 C ATOM 605 CE3 TRP A 41 -1.260 -12.047 0.113 1.00 0.00 C ATOM 606 CZ2 TRP A 41 -3.254 -11.374 1.970 1.00 0.00 C ATOM 607 CZ3 TRP A 41 -2.368 -12.886 0.303 1.00 0.00 C ATOM 608 CH2 TRP A 41 -3.364 -12.553 1.228 1.00 0.00 C ATOM 0 H TRP A 41 3.234 -7.524 -0.467 1.00 0.00 H new ATOM 0 HA TRP A 41 0.669 -8.326 -1.510 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.188 -10.465 -0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.993 -9.795 0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.053 -7.994 2.088 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.285 -8.847 3.049 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.503 -12.322 -0.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.016 -11.106 2.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.453 -13.798 -0.270 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.214 -13.204 1.368 1.00 0.00 H new ATOM 619 N VAL A 42 -0.384 -6.821 0.244 1.00 0.00 N ATOM 620 CA VAL A 42 -0.897 -5.733 1.051 1.00 0.00 C ATOM 621 C VAL A 42 -2.109 -6.205 1.841 1.00 0.00 C ATOM 622 O VAL A 42 -2.872 -7.044 1.368 1.00 0.00 O ATOM 623 CB VAL A 42 -1.264 -4.559 0.147 1.00 0.00 C ATOM 624 CG1 VAL A 42 -2.039 -3.520 0.951 1.00 0.00 C ATOM 625 CG2 VAL A 42 0.010 -3.927 -0.407 1.00 0.00 C ATOM 0 H VAL A 42 -1.088 -7.287 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.133 -5.406 1.756 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.882 -4.915 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.301 -2.682 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.949 -3.971 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.422 -3.164 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.251 -3.089 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.628 -3.572 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.564 -4.669 -0.982 1.00 0.00 H new ATOM 635 N GLU A 43 -2.286 -5.663 3.048 1.00 0.00 N ATOM 636 CA GLU A 43 -3.404 -6.032 3.893 1.00 0.00 C ATOM 637 C GLU A 43 -4.446 -4.923 3.889 1.00 0.00 C ATOM 638 O GLU A 43 -4.126 -3.768 3.617 1.00 0.00 O ATOM 639 CB GLU A 43 -2.904 -6.298 5.310 1.00 0.00 C ATOM 640 CG GLU A 43 -2.294 -7.696 5.380 1.00 0.00 C ATOM 641 CD GLU A 43 -1.974 -8.077 6.818 1.00 0.00 C ATOM 642 OE1 GLU A 43 -2.901 -8.574 7.493 1.00 0.00 O ATOM 643 OE2 GLU A 43 -0.808 -7.865 7.215 1.00 0.00 O ATOM 0 H GLU A 43 -1.663 -4.966 3.455 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.869 -6.940 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.162 -5.551 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.727 -6.213 6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.987 -8.421 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.385 -7.731 4.779 1.00 0.00 H new ATOM 650 N SER A 44 -5.697 -5.277 4.192 1.00 0.00 N ATOM 651 CA SER A 44 -6.777 -4.311 4.224 1.00 0.00 C ATOM 652 C SER A 44 -7.900 -4.820 5.117 1.00 0.00 C ATOM 653 O SER A 44 -8.863 -5.409 4.633 1.00 0.00 O ATOM 654 CB SER A 44 -7.284 -4.069 2.805 1.00 0.00 C ATOM 655 OG SER A 44 -6.192 -4.060 1.912 1.00 0.00 O ATOM 0 H SER A 44 -5.979 -6.231 4.418 1.00 0.00 H new ATOM 0 HA SER A 44 -6.414 -3.368 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.992 -4.848 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.817 -3.120 2.754 1.00 0.00 H new ATOM 0 HG SER A 44 -5.928 -4.982 1.709 1.00 0.00 H new ATOM 661 N GLY A 45 -7.774 -4.592 6.427 1.00 0.00 N ATOM 662 CA GLY A 45 -8.779 -5.028 7.375 1.00 0.00 C ATOM 663 C GLY A 45 -10.169 -4.656 6.880 1.00 0.00 C ATOM 664 O GLY A 45 -10.349 -4.343 5.705 1.00 0.00 O ATOM 0 H GLY A 45 -6.981 -4.106 6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.712 -6.107 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.596 -4.568 8.346 1.00 0.00 H new ATOM 668 N ASN A 46 -11.154 -4.690 7.781 1.00 0.00 N ATOM 669 CA ASN A 46 -12.520 -4.356 7.431 1.00 0.00 C ATOM 670 C ASN A 46 -12.622 -2.875 7.095 1.00 0.00 C ATOM 671 O ASN A 46 -13.443 -2.161 7.667 1.00 0.00 O ATOM 672 CB ASN A 46 -13.443 -4.712 8.593 1.00 0.00 C ATOM 673 CG ASN A 46 -14.903 -4.583 8.186 1.00 0.00 C ATOM 674 OD1 ASN A 46 -15.279 -3.628 7.510 1.00 0.00 O ATOM 675 ND2 ASN A 46 -15.728 -5.549 8.598 1.00 0.00 N ATOM 0 H ASN A 46 -11.021 -4.947 8.759 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.824 -4.927 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.242 -5.731 8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.238 -4.057 9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.717 -5.514 8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.369 -6.322 9.158 1.00 0.00 H new ATOM 682 N ASN A 47 -11.786 -2.414 6.163 1.00 0.00 N ATOM 683 CA ASN A 47 -11.788 -1.023 5.756 1.00 0.00 C ATOM 684 C ASN A 47 -11.293 -0.900 4.322 1.00 0.00 C ATOM 685 O ASN A 47 -10.477 -1.702 3.874 1.00 0.00 O ATOM 686 CB ASN A 47 -10.904 -0.216 6.704 1.00 0.00 C ATOM 687 CG ASN A 47 -9.433 -0.388 6.353 1.00 0.00 C ATOM 688 OD1 ASN A 47 -8.739 0.590 6.086 1.00 0.00 O ATOM 689 ND2 ASN A 47 -8.959 -1.636 6.356 1.00 0.00 N ATOM 0 H ASN A 47 -11.099 -2.993 5.679 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.804 -0.630 5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.174 0.839 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.077 -0.537 7.731 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.980 -1.810 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.576 -2.415 6.585 1.00 0.00 H new ATOM 696 N VAL A 48 -11.790 0.109 3.603 1.00 0.00 N ATOM 697 CA VAL A 48 -11.397 0.332 2.226 1.00 0.00 C ATOM 698 C VAL A 48 -10.196 1.266 2.178 1.00 0.00 C ATOM 699 O VAL A 48 -10.221 2.343 2.769 1.00 0.00 O ATOM 700 CB VAL A 48 -12.572 0.923 1.452 1.00 0.00 C ATOM 701 CG1 VAL A 48 -12.251 0.924 -0.039 1.00 0.00 C ATOM 702 CG2 VAL A 48 -13.820 0.081 1.703 1.00 0.00 C ATOM 0 H VAL A 48 -12.467 0.782 3.961 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.115 -0.615 1.766 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.749 1.945 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.090 1.346 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.359 1.525 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.074 -0.098 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.660 0.502 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.642 -0.941 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.050 0.080 2.768 1.00 0.00 H new ATOM 712 N VAL A 49 -9.142 0.849 1.472 1.00 0.00 N ATOM 713 CA VAL A 49 -7.939 1.648 1.351 1.00 0.00 C ATOM 714 C VAL A 49 -7.446 1.620 -0.089 1.00 0.00 C ATOM 715 O VAL A 49 -7.366 0.556 -0.699 1.00 0.00 O ATOM 716 CB VAL A 49 -6.873 1.107 2.298 1.00 0.00 C ATOM 717 CG1 VAL A 49 -5.763 2.142 2.460 1.00 0.00 C ATOM 718 CG2 VAL A 49 -7.501 0.818 3.659 1.00 0.00 C ATOM 0 H VAL A 49 -9.106 -0.042 0.977 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.155 2.682 1.621 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.455 0.188 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.001 1.755 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.314 2.349 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.180 3.062 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.740 0.431 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.919 1.737 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.294 0.079 3.544 1.00 0.00 H new ATOM 728 N THR A 50 -7.114 2.794 -0.632 1.00 0.00 N ATOM 729 CA THR A 50 -6.630 2.892 -1.994 1.00 0.00 C ATOM 730 C THR A 50 -5.110 2.957 -2.002 1.00 0.00 C ATOM 731 O THR A 50 -4.515 3.734 -1.258 1.00 0.00 O ATOM 732 CB THR A 50 -7.227 4.131 -2.656 1.00 0.00 C ATOM 733 OG1 THR A 50 -8.500 3.819 -3.176 1.00 0.00 O ATOM 734 CG2 THR A 50 -6.315 4.593 -3.788 1.00 0.00 C ATOM 0 H THR A 50 -7.175 3.686 -0.141 1.00 0.00 H new ATOM 0 HA THR A 50 -6.937 2.010 -2.556 1.00 0.00 H new ATOM 0 HB THR A 50 -7.321 4.927 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.177 3.939 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.741 5.478 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.331 4.835 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.220 3.797 -4.527 1.00 0.00 H new ATOM 742 N LEU A 51 -4.481 2.136 -2.846 1.00 0.00 N ATOM 743 CA LEU A 51 -3.036 2.104 -2.948 1.00 0.00 C ATOM 744 C LEU A 51 -2.597 2.702 -4.277 1.00 0.00 C ATOM 745 O LEU A 51 -3.054 2.272 -5.334 1.00 0.00 O ATOM 746 CB LEU A 51 -2.550 0.663 -2.817 1.00 0.00 C ATOM 747 CG LEU A 51 -2.526 0.266 -1.344 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.602 -0.933 -1.155 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.016 1.438 -0.510 1.00 0.00 C ATOM 0 H LEU A 51 -4.960 1.485 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.599 2.697 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.206 -0.005 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.554 0.563 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.533 0.002 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.585 -1.217 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.966 -1.770 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.594 -0.670 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.999 1.155 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.009 1.702 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.676 2.295 -0.645 1.00 0.00 H new ATOM 761 N GLN A 52 -1.709 3.697 -4.221 1.00 0.00 N ATOM 762 CA GLN A 52 -1.215 4.348 -5.418 1.00 0.00 C ATOM 763 C GLN A 52 0.261 4.028 -5.609 1.00 0.00 C ATOM 764 O GLN A 52 1.106 4.519 -4.864 1.00 0.00 O ATOM 765 CB GLN A 52 -1.431 5.854 -5.302 1.00 0.00 C ATOM 766 CG GLN A 52 -2.877 6.190 -5.656 1.00 0.00 C ATOM 767 CD GLN A 52 -2.943 7.407 -6.567 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.438 8.459 -6.167 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.443 7.262 -7.797 1.00 0.00 N ATOM 0 H GLN A 52 -1.321 4.065 -3.352 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.761 3.981 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.207 6.187 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.750 6.382 -5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.343 5.336 -6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.444 6.381 -4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.042 6.368 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.462 8.045 -8.451 1.00 0.00 H new ATOM 778 N PHE A 53 0.570 3.202 -6.612 1.00 0.00 N ATOM 779 CA PHE A 53 1.940 2.824 -6.893 1.00 0.00 C ATOM 780 C PHE A 53 2.196 2.891 -8.392 1.00 0.00 C ATOM 781 O PHE A 53 1.266 2.792 -9.189 1.00 0.00 O ATOM 782 CB PHE A 53 2.197 1.416 -6.363 1.00 0.00 C ATOM 783 CG PHE A 53 1.350 0.357 -7.027 1.00 0.00 C ATOM 784 CD1 PHE A 53 0.064 0.086 -6.545 1.00 0.00 C ATOM 785 CD2 PHE A 53 1.851 -0.355 -8.123 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.721 -0.897 -7.159 1.00 0.00 C ATOM 787 CE2 PHE A 53 1.066 -1.338 -8.737 1.00 0.00 C ATOM 788 CZ PHE A 53 -0.220 -1.609 -8.255 1.00 0.00 C ATOM 0 H PHE A 53 -0.118 2.786 -7.239 1.00 0.00 H new ATOM 0 HA PHE A 53 2.621 3.515 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.249 1.170 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.008 1.401 -5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.323 0.635 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.843 -0.146 -8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.713 -1.106 -6.787 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.453 -1.887 -9.583 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.826 -2.367 -8.729 1.00 0.00 H new ATOM 798 N GLN A 54 3.464 3.059 -8.776 1.00 0.00 N ATOM 799 CA GLN A 54 3.835 3.139 -10.174 1.00 0.00 C ATOM 800 C GLN A 54 4.414 1.808 -10.632 1.00 0.00 C ATOM 801 O GLN A 54 5.487 1.409 -10.186 1.00 0.00 O ATOM 802 CB GLN A 54 4.848 4.264 -10.367 1.00 0.00 C ATOM 803 CG GLN A 54 4.629 4.920 -11.727 1.00 0.00 C ATOM 804 CD GLN A 54 5.325 6.272 -11.796 1.00 0.00 C ATOM 805 OE1 GLN A 54 4.787 7.273 -11.329 1.00 0.00 O ATOM 806 NE2 GLN A 54 6.524 6.298 -12.382 1.00 0.00 N ATOM 0 H GLN A 54 4.248 3.142 -8.128 1.00 0.00 H new ATOM 0 HA GLN A 54 2.952 3.355 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.741 5.004 -9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.862 3.870 -10.301 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.010 4.270 -12.514 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.561 5.046 -11.907 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.928 5.439 -12.754 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.036 7.177 -12.457 1.00 0.00 H new ATOM 815 N ARG A 55 3.700 1.121 -11.527 1.00 0.00 N ATOM 816 CA ARG A 55 4.144 -0.159 -12.040 1.00 0.00 C ATOM 817 C ARG A 55 5.568 -0.039 -12.563 1.00 0.00 C ATOM 818 O ARG A 55 6.447 -0.797 -12.157 1.00 0.00 O ATOM 819 CB ARG A 55 3.199 -0.618 -13.146 1.00 0.00 C ATOM 820 CG ARG A 55 3.068 -2.138 -13.105 1.00 0.00 C ATOM 821 CD ARG A 55 1.982 -2.529 -12.107 1.00 0.00 C ATOM 822 NE ARG A 55 1.056 -3.500 -12.691 1.00 0.00 N ATOM 823 CZ ARG A 55 1.316 -4.814 -12.736 1.00 0.00 C ATOM 824 NH1 ARG A 55 2.463 -5.288 -12.231 1.00 0.00 N ATOM 825 NH2 ARG A 55 0.428 -5.654 -13.286 1.00 0.00 N ATOM 0 H ARG A 55 2.809 1.439 -11.907 1.00 0.00 H new ATOM 0 HA ARG A 55 4.133 -0.899 -11.240 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.221 -0.154 -13.019 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.578 -0.301 -14.118 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.820 -2.519 -14.096 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.019 -2.588 -12.819 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.440 -2.951 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.433 -1.640 -11.795 1.00 0.00 H new ATOM 0 HE ARG A 55 0.176 -3.163 -13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.139 -4.649 -11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.661 -6.288 -12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.445 -5.293 -13.670 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.626 -6.654 -13.320 1.00 0.00 H new ATOM 839 N ASN A 56 5.796 0.918 -13.466 1.00 0.00 N ATOM 840 CA ASN A 56 7.111 1.131 -14.036 1.00 0.00 C ATOM 841 C ASN A 56 7.637 2.501 -13.632 1.00 0.00 C ATOM 842 O ASN A 56 6.867 3.449 -13.498 1.00 0.00 O ATOM 843 CB ASN A 56 7.030 1.010 -15.556 1.00 0.00 C ATOM 844 CG ASN A 56 6.944 -0.448 -15.981 1.00 0.00 C ATOM 845 OD1 ASN A 56 5.900 -0.901 -16.446 1.00 0.00 O ATOM 846 ND2 ASN A 56 8.047 -1.184 -15.823 1.00 0.00 N ATOM 0 H ASN A 56 5.079 1.555 -13.813 1.00 0.00 H new ATOM 0 HA ASN A 56 7.800 0.376 -13.659 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.158 1.552 -15.922 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.906 1.474 -16.009 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.047 -2.168 -16.093 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.890 -0.763 -15.432 1.00 0.00 H new ATOM 853 N LEU A 57 8.954 2.602 -13.436 1.00 0.00 N ATOM 854 CA LEU A 57 9.576 3.852 -13.049 1.00 0.00 C ATOM 855 C LEU A 57 9.851 4.697 -14.285 1.00 0.00 C ATOM 856 O LEU A 57 9.355 5.816 -14.398 1.00 0.00 O ATOM 857 CB LEU A 57 10.869 3.563 -12.293 1.00 0.00 C ATOM 858 CG LEU A 57 11.575 4.878 -11.972 1.00 0.00 C ATOM 859 CD1 LEU A 57 10.675 5.736 -11.089 1.00 0.00 C ATOM 860 CD2 LEU A 57 12.881 4.588 -11.239 1.00 0.00 C ATOM 0 H LEU A 57 9.605 1.824 -13.542 1.00 0.00 H new ATOM 0 HA LEU A 57 8.905 4.409 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.651 3.021 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.519 2.926 -12.893 1.00 0.00 H new ATOM 0 HG LEU A 57 11.789 5.411 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.179 6.675 -10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.742 5.943 -11.613 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.460 5.204 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.386 5.527 -11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.668 4.055 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.524 3.975 -11.870 1.00 0.00 H new ATOM 872 N SER A 58 10.643 4.158 -15.214 1.00 0.00 N ATOM 873 CA SER A 58 10.978 4.863 -16.435 1.00 0.00 C ATOM 874 C SER A 58 9.722 5.476 -17.038 1.00 0.00 C ATOM 875 O SER A 58 9.744 6.615 -17.500 1.00 0.00 O ATOM 876 CB SER A 58 11.633 3.895 -17.417 1.00 0.00 C ATOM 877 OG SER A 58 12.321 4.626 -18.407 1.00 0.00 O ATOM 0 H SER A 58 11.062 3.231 -15.136 1.00 0.00 H new ATOM 0 HA SER A 58 11.680 5.667 -16.215 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.323 3.237 -16.890 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.876 3.260 -17.878 1.00 0.00 H new ATOM 0 HG SER A 58 12.743 4.006 -19.037 1.00 0.00 H new ATOM 883 N ASP A 59 8.624 4.717 -17.033 1.00 0.00 N ATOM 884 CA ASP A 59 7.366 5.188 -17.578 1.00 0.00 C ATOM 885 C ASP A 59 6.423 5.566 -16.445 1.00 0.00 C ATOM 886 O ASP A 59 6.357 4.871 -15.433 1.00 0.00 O ATOM 887 CB ASP A 59 6.752 4.098 -18.453 1.00 0.00 C ATOM 888 CG ASP A 59 5.418 4.551 -19.029 1.00 0.00 C ATOM 889 OD1 ASP A 59 4.539 4.906 -18.214 1.00 0.00 O ATOM 890 OD2 ASP A 59 5.303 4.534 -20.273 1.00 0.00 O ATOM 0 H ASP A 59 8.589 3.771 -16.654 1.00 0.00 H new ATOM 0 HA ASP A 59 7.538 6.073 -18.191 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.437 3.848 -19.264 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.610 3.191 -17.865 1.00 0.00 H new ATOM 895 N PRO A 60 5.693 6.670 -16.617 1.00 0.00 N ATOM 896 CA PRO A 60 4.745 7.179 -15.649 1.00 0.00 C ATOM 897 C PRO A 60 3.514 6.284 -15.620 1.00 0.00 C ATOM 898 O PRO A 60 2.388 6.775 -15.592 1.00 0.00 O ATOM 899 CB PRO A 60 4.392 8.579 -16.147 1.00 0.00 C ATOM 900 CG PRO A 60 4.550 8.450 -17.662 1.00 0.00 C ATOM 901 CD PRO A 60 5.746 7.509 -17.794 1.00 0.00 C ATOM 0 HA PRO A 60 5.145 7.203 -14.635 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.377 8.863 -15.869 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.059 9.335 -15.734 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.656 8.037 -18.129 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.739 9.414 -18.133 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.682 6.915 -18.706 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.682 8.065 -17.841 1.00 0.00 H new ATOM 909 N ARG A 61 3.732 4.967 -15.628 1.00 0.00 N ATOM 910 CA ARG A 61 2.643 4.012 -15.605 1.00 0.00 C ATOM 911 C ARG A 61 2.040 3.951 -14.209 1.00 0.00 C ATOM 912 O ARG A 61 2.380 3.070 -13.422 1.00 0.00 O ATOM 913 CB ARG A 61 3.161 2.641 -16.031 1.00 0.00 C ATOM 914 CG ARG A 61 2.153 1.569 -15.626 1.00 0.00 C ATOM 915 CD ARG A 61 1.994 0.564 -16.764 1.00 0.00 C ATOM 916 NE ARG A 61 3.046 -0.451 -16.719 1.00 0.00 N ATOM 917 CZ ARG A 61 3.083 -1.496 -17.558 1.00 0.00 C ATOM 918 NH1 ARG A 61 2.131 -1.641 -18.489 1.00 0.00 N ATOM 919 NH2 ARG A 61 4.073 -2.394 -17.466 1.00 0.00 N ATOM 0 H ARG A 61 4.660 4.545 -15.650 1.00 0.00 H new ATOM 0 HA ARG A 61 1.865 4.324 -16.302 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.318 2.619 -17.109 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.126 2.443 -15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.490 1.061 -14.722 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.192 2.028 -15.395 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.018 0.084 -16.696 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.027 1.085 -17.721 1.00 0.00 H new ATOM 0 HE ARG A 61 3.783 -0.360 -16.020 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.378 -0.956 -18.560 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.159 -2.436 -19.127 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.798 -2.283 -16.758 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.101 -3.189 -18.104 1.00 0.00 H new ATOM 933 N LEU A 62 1.141 4.889 -13.903 1.00 0.00 N ATOM 934 CA LEU A 62 0.496 4.937 -12.606 1.00 0.00 C ATOM 935 C LEU A 62 -0.591 3.875 -12.531 1.00 0.00 C ATOM 936 O LEU A 62 -1.343 3.683 -13.484 1.00 0.00 O ATOM 937 CB LEU A 62 -0.091 6.328 -12.382 1.00 0.00 C ATOM 938 CG LEU A 62 0.591 6.980 -11.183 1.00 0.00 C ATOM 939 CD1 LEU A 62 0.005 6.412 -9.893 1.00 0.00 C ATOM 940 CD2 LEU A 62 2.089 6.693 -11.231 1.00 0.00 C ATOM 0 H LEU A 62 0.848 5.625 -14.545 1.00 0.00 H new ATOM 0 HA LEU A 62 1.228 4.735 -11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.050 6.941 -13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.165 6.258 -12.209 1.00 0.00 H new ATOM 0 HG LEU A 62 0.427 8.057 -11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.492 6.878 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.065 6.617 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.169 5.335 -9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.576 7.159 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.254 5.616 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.508 7.099 -12.152 1.00 0.00 H new ATOM 952 N GLU A 63 -0.674 3.182 -11.392 1.00 0.00 N ATOM 953 CA GLU A 63 -1.668 2.146 -11.201 1.00 0.00 C ATOM 954 C GLU A 63 -2.337 2.312 -9.844 1.00 0.00 C ATOM 955 O GLU A 63 -1.668 2.575 -8.847 1.00 0.00 O ATOM 956 CB GLU A 63 -1.003 0.777 -11.312 1.00 0.00 C ATOM 957 CG GLU A 63 -0.249 0.684 -12.635 1.00 0.00 C ATOM 958 CD GLU A 63 -1.215 0.528 -13.801 1.00 0.00 C ATOM 959 OE1 GLU A 63 -2.017 1.465 -14.002 1.00 0.00 O ATOM 960 OE2 GLU A 63 -1.133 -0.525 -14.469 1.00 0.00 O ATOM 0 H GLU A 63 -0.059 3.327 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.434 2.228 -11.972 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.317 0.625 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.755 -0.010 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.357 1.579 -12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.436 -0.164 -12.609 1.00 0.00 H new ATOM 967 N THR A 64 -3.663 2.157 -9.807 1.00 0.00 N ATOM 968 CA THR A 64 -4.410 2.289 -8.572 1.00 0.00 C ATOM 969 C THR A 64 -5.055 0.959 -8.212 1.00 0.00 C ATOM 970 O THR A 64 -5.515 0.231 -9.088 1.00 0.00 O ATOM 971 CB THR A 64 -5.468 3.377 -8.734 1.00 0.00 C ATOM 972 OG1 THR A 64 -6.025 3.302 -10.027 1.00 0.00 O ATOM 973 CG2 THR A 64 -4.825 4.747 -8.536 1.00 0.00 C ATOM 0 H THR A 64 -4.234 1.940 -10.624 1.00 0.00 H new ATOM 0 HA THR A 64 -3.736 2.572 -7.764 1.00 0.00 H new ATOM 0 HB THR A 64 -6.253 3.234 -7.991 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.706 3.999 -10.131 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.581 5.524 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.394 4.806 -7.536 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.040 4.891 -9.278 1.00 0.00 H new ATOM 981 N ILE A 65 -5.089 0.644 -6.915 1.00 0.00 N ATOM 982 CA ILE A 65 -5.677 -0.593 -6.441 1.00 0.00 C ATOM 983 C ILE A 65 -6.504 -0.325 -5.192 1.00 0.00 C ATOM 984 O ILE A 65 -5.999 0.231 -4.219 1.00 0.00 O ATOM 985 CB ILE A 65 -4.571 -1.604 -6.153 1.00 0.00 C ATOM 986 CG1 ILE A 65 -5.185 -2.987 -5.953 1.00 0.00 C ATOM 987 CG2 ILE A 65 -3.823 -1.192 -4.888 1.00 0.00 C ATOM 988 CD1 ILE A 65 -4.073 -4.027 -5.852 1.00 0.00 C ATOM 0 H ILE A 65 -4.711 1.238 -6.177 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.335 -1.005 -7.206 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.877 -1.633 -6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.793 -3.000 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.847 -3.227 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.033 -1.914 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.384 -0.204 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.517 -1.163 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.511 -5.015 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.484 -4.020 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.429 -3.790 -5.005 1.00 0.00 H new ATOM 1000 N THR A 66 -7.779 -0.721 -5.219 1.00 0.00 N ATOM 1001 CA THR A 66 -8.663 -0.521 -4.089 1.00 0.00 C ATOM 1002 C THR A 66 -8.846 -1.830 -3.335 1.00 0.00 C ATOM 1003 O THR A 66 -9.284 -2.824 -3.909 1.00 0.00 O ATOM 1004 CB THR A 66 -10.005 0.011 -4.582 1.00 0.00 C ATOM 1005 OG1 THR A 66 -9.839 1.323 -5.072 1.00 0.00 O ATOM 1006 CG2 THR A 66 -11.004 0.021 -3.428 1.00 0.00 C ATOM 0 H THR A 66 -8.215 -1.182 -6.018 1.00 0.00 H new ATOM 0 HA THR A 66 -8.226 0.208 -3.407 1.00 0.00 H new ATOM 0 HB THR A 66 -10.379 -0.630 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.701 1.665 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.963 0.401 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.133 -0.993 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.631 0.662 -2.629 1.00 0.00 H new ATOM 1014 N LEU A 67 -8.509 -1.828 -2.043 1.00 0.00 N ATOM 1015 CA LEU A 67 -8.638 -3.011 -1.217 1.00 0.00 C ATOM 1016 C LEU A 67 -9.955 -2.970 -0.456 1.00 0.00 C ATOM 1017 O LEU A 67 -10.249 -1.992 0.228 1.00 0.00 O ATOM 1018 CB LEU A 67 -7.458 -3.088 -0.251 1.00 0.00 C ATOM 1019 CG LEU A 67 -6.161 -2.825 -1.011 1.00 0.00 C ATOM 1020 CD1 LEU A 67 -5.164 -2.128 -0.090 1.00 0.00 C ATOM 1021 CD2 LEU A 67 -5.574 -4.151 -1.487 1.00 0.00 C ATOM 0 H LEU A 67 -8.144 -1.012 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.634 -3.900 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.579 -2.356 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.423 -4.070 0.220 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.366 -2.188 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.237 -1.940 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.584 -1.181 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.958 -2.764 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.647 -3.965 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.368 -4.788 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.286 -4.649 -2.145 1.00 0.00 H new ATOM 1033 N GLN A 68 -10.749 -4.036 -0.576 1.00 0.00 N ATOM 1034 CA GLN A 68 -12.029 -4.115 0.099 1.00 0.00 C ATOM 1035 C GLN A 68 -11.828 -4.575 1.536 1.00 0.00 C ATOM 1036 O GLN A 68 -10.698 -4.779 1.973 1.00 0.00 O ATOM 1037 CB GLN A 68 -12.941 -5.080 -0.655 1.00 0.00 C ATOM 1038 CG GLN A 68 -13.224 -4.529 -2.049 1.00 0.00 C ATOM 1039 CD GLN A 68 -14.234 -3.392 -1.989 1.00 0.00 C ATOM 1040 OE1 GLN A 68 -15.434 -3.617 -2.133 1.00 0.00 O ATOM 1041 NE2 GLN A 68 -13.745 -2.168 -1.776 1.00 0.00 N ATOM 0 H GLN A 68 -10.519 -4.855 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.497 -3.131 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.470 -6.060 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.875 -5.216 -0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.297 -4.174 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.604 -5.325 -2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.740 -2.033 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.376 -1.368 -1.727 1.00 0.00 H new ATOM 1050 N LYS A 69 -12.930 -4.739 2.272 1.00 0.00 N ATOM 1051 CA LYS A 69 -12.868 -5.173 3.653 1.00 0.00 C ATOM 1052 C LYS A 69 -12.069 -6.465 3.754 1.00 0.00 C ATOM 1053 O LYS A 69 -12.339 -7.423 3.033 1.00 0.00 O ATOM 1054 CB LYS A 69 -14.283 -5.370 4.188 1.00 0.00 C ATOM 1055 CG LYS A 69 -15.179 -4.242 3.684 1.00 0.00 C ATOM 1056 CD LYS A 69 -15.991 -3.678 4.846 1.00 0.00 C ATOM 1057 CE LYS A 69 -17.317 -3.133 4.323 1.00 0.00 C ATOM 1058 NZ LYS A 69 -18.417 -4.071 4.595 1.00 0.00 N ATOM 0 H LYS A 69 -13.875 -4.575 1.925 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.369 -4.413 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.675 -6.333 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.273 -5.381 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.573 -3.455 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.847 -4.614 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.173 -4.456 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.431 -2.886 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.529 -2.172 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.243 -2.955 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.307 -3.677 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.222 -4.979 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.500 -4.221 5.621 1.00 0.00 H new ATOM 1072 N TRP A 70 -11.081 -6.490 4.653 1.00 0.00 N ATOM 1073 CA TRP A 70 -10.253 -7.664 4.841 1.00 0.00 C ATOM 1074 C TRP A 70 -9.579 -8.038 3.529 1.00 0.00 C ATOM 1075 O TRP A 70 -9.274 -9.206 3.296 1.00 0.00 O ATOM 1076 CB TRP A 70 -11.113 -8.814 5.355 1.00 0.00 C ATOM 1077 CG TRP A 70 -11.899 -8.510 6.591 1.00 0.00 C ATOM 1078 CD1 TRP A 70 -13.244 -8.410 6.655 1.00 0.00 C ATOM 1079 CD2 TRP A 70 -11.415 -8.263 7.946 1.00 0.00 C ATOM 1080 NE1 TRP A 70 -13.624 -8.119 7.948 1.00 0.00 N ATOM 1081 CE2 TRP A 70 -12.534 -8.017 8.788 1.00 0.00 C ATOM 1082 CE3 TRP A 70 -10.146 -8.221 8.551 1.00 0.00 C ATOM 1083 CZ2 TRP A 70 -12.402 -7.745 10.152 1.00 0.00 C ATOM 1084 CZ3 TRP A 70 -10.003 -7.949 9.919 1.00 0.00 C ATOM 1085 CH2 TRP A 70 -11.126 -7.711 10.721 1.00 0.00 C ATOM 0 H TRP A 70 -10.842 -5.705 5.258 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.476 -7.451 5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.804 -9.112 4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.468 -9.670 5.554 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.919 -8.538 5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -14.591 -7.995 8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.266 -8.401 7.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.276 -7.563 10.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.017 -7.923 10.359 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.007 -7.502 11.774 1.00 0.00 H new ATOM 1096 N GLY A 71 -9.347 -7.044 2.669 1.00 0.00 N ATOM 1097 CA GLY A 71 -8.711 -7.278 1.388 1.00 0.00 C ATOM 1098 C GLY A 71 -7.198 -7.298 1.546 1.00 0.00 C ATOM 1099 O GLY A 71 -6.656 -6.654 2.441 1.00 0.00 O ATOM 0 H GLY A 71 -9.594 -6.070 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.053 -8.226 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.000 -6.498 0.683 1.00 0.00 H new ATOM 1103 N SER A 72 -6.515 -8.042 0.673 1.00 0.00 N ATOM 1104 CA SER A 72 -5.070 -8.142 0.720 1.00 0.00 C ATOM 1105 C SER A 72 -4.503 -8.094 -0.692 1.00 0.00 C ATOM 1106 O SER A 72 -5.215 -8.358 -1.659 1.00 0.00 O ATOM 1107 CB SER A 72 -4.673 -9.439 1.418 1.00 0.00 C ATOM 1108 OG SER A 72 -5.804 -10.000 2.045 1.00 0.00 O ATOM 0 H SER A 72 -6.949 -8.583 -0.075 1.00 0.00 H new ATOM 0 HA SER A 72 -4.662 -7.302 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.259 -10.142 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.894 -9.244 2.155 1.00 0.00 H new ATOM 0 HG SER A 72 -5.731 -10.977 2.039 1.00 0.00 H new ATOM 1114 N TRP A 73 -3.217 -7.756 -0.810 1.00 0.00 N ATOM 1115 CA TRP A 73 -2.566 -7.679 -2.102 1.00 0.00 C ATOM 1116 C TRP A 73 -1.364 -8.613 -2.133 1.00 0.00 C ATOM 1117 O TRP A 73 -0.702 -8.810 -1.117 1.00 0.00 O ATOM 1118 CB TRP A 73 -2.139 -6.239 -2.371 1.00 0.00 C ATOM 1119 CG TRP A 73 -1.788 -5.941 -3.793 1.00 0.00 C ATOM 1120 CD1 TRP A 73 -2.237 -6.626 -4.868 1.00 0.00 C ATOM 1121 CD2 TRP A 73 -0.921 -4.892 -4.323 1.00 0.00 C ATOM 1122 NE1 TRP A 73 -1.710 -6.077 -6.018 1.00 0.00 N ATOM 1123 CE2 TRP A 73 -0.890 -5.003 -5.739 1.00 0.00 C ATOM 1124 CE3 TRP A 73 -0.158 -3.859 -3.752 1.00 0.00 C ATOM 1125 CZ2 TRP A 73 -0.145 -4.138 -6.545 1.00 0.00 C ATOM 1126 CZ3 TRP A 73 0.594 -2.985 -4.551 1.00 0.00 C ATOM 1127 CH2 TRP A 73 0.603 -3.122 -5.944 1.00 0.00 C ATOM 0 H TRP A 73 -2.612 -7.532 -0.020 1.00 0.00 H new ATOM 0 HA TRP A 73 -3.261 -7.990 -2.882 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.945 -5.573 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -1.278 -6.008 -1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -2.906 -7.473 -4.832 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -1.903 -6.422 -6.958 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.151 -3.736 -2.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -0.147 -4.253 -7.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.171 -2.199 -4.087 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.186 -2.445 -6.552 1.00 0.00 H new ATOM 1138 N ASN A 74 -1.083 -9.188 -3.305 1.00 0.00 N ATOM 1139 CA ASN A 74 0.036 -10.095 -3.461 1.00 0.00 C ATOM 1140 C ASN A 74 0.417 -10.201 -4.931 1.00 0.00 C ATOM 1141 O ASN A 74 0.174 -11.226 -5.565 1.00 0.00 O ATOM 1142 CB ASN A 74 -0.339 -11.463 -2.899 1.00 0.00 C ATOM 1143 CG ASN A 74 -1.635 -11.968 -3.517 1.00 0.00 C ATOM 1144 OD1 ASN A 74 -2.243 -11.281 -4.335 1.00 0.00 O ATOM 1145 ND2 ASN A 74 -2.056 -13.173 -3.125 1.00 0.00 N ATOM 0 H ASN A 74 -1.622 -9.035 -4.157 1.00 0.00 H new ATOM 0 HA ASN A 74 0.897 -9.714 -2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.464 -12.174 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.449 -11.398 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.918 -13.561 -3.508 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.516 -13.705 -2.443 1.00 0.00 H new ATOM 1152 N PRO A 75 1.016 -9.138 -5.471 1.00 0.00 N ATOM 1153 CA PRO A 75 1.450 -9.060 -6.850 1.00 0.00 C ATOM 1154 C PRO A 75 2.675 -9.941 -7.050 1.00 0.00 C ATOM 1155 O PRO A 75 2.548 -11.124 -7.356 1.00 0.00 O ATOM 1156 CB PRO A 75 1.793 -7.588 -7.069 1.00 0.00 C ATOM 1157 CG PRO A 75 2.245 -7.135 -5.681 1.00 0.00 C ATOM 1158 CD PRO A 75 1.317 -7.918 -4.755 1.00 0.00 C ATOM 0 HA PRO A 75 0.692 -9.404 -7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.581 -7.463 -7.812 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.931 -7.020 -7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.293 -7.372 -5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.134 -6.059 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.799 -8.129 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.410 -7.354 -4.537 1.00 0.00 H new ATOM 1166 N GLY A 76 3.866 -9.361 -6.879 1.00 0.00 N ATOM 1167 CA GLY A 76 5.102 -10.098 -7.045 1.00 0.00 C ATOM 1168 C GLY A 76 6.287 -9.142 -7.074 1.00 0.00 C ATOM 1169 O GLY A 76 6.989 -9.051 -8.078 1.00 0.00 O ATOM 0 H GLY A 76 3.991 -8.381 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.221 -10.811 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.068 -10.675 -7.969 1.00 0.00 H new ATOM 1173 N HIS A 77 6.506 -8.429 -5.967 1.00 0.00 N ATOM 1174 CA HIS A 77 7.601 -7.485 -5.870 1.00 0.00 C ATOM 1175 C HIS A 77 7.352 -6.308 -6.803 1.00 0.00 C ATOM 1176 O HIS A 77 7.664 -6.379 -7.990 1.00 0.00 O ATOM 1177 CB HIS A 77 8.910 -8.186 -6.221 1.00 0.00 C ATOM 1178 CG HIS A 77 10.096 -7.264 -6.167 1.00 0.00 C ATOM 1179 ND1 HIS A 77 10.178 -6.015 -6.753 1.00 0.00 N ATOM 1180 CD2 HIS A 77 11.279 -7.516 -5.529 1.00 0.00 C ATOM 1181 CE1 HIS A 77 11.396 -5.516 -6.474 1.00 0.00 C ATOM 1182 NE2 HIS A 77 12.080 -6.410 -5.733 1.00 0.00 N ATOM 0 H HIS A 77 5.932 -8.494 -5.126 1.00 0.00 H new ATOM 0 HA HIS A 77 7.670 -7.106 -4.850 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.069 -9.016 -5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.832 -8.612 -7.221 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.536 -8.406 -4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.766 -4.553 -6.793 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.030 -6.290 -5.382 1.00 0.00 H new ATOM 1191 N ILE A 78 6.789 -5.225 -6.264 1.00 0.00 N ATOM 1192 CA ILE A 78 6.503 -4.039 -7.048 1.00 0.00 C ATOM 1193 C ILE A 78 7.691 -3.090 -6.998 1.00 0.00 C ATOM 1194 O ILE A 78 8.443 -3.084 -6.025 1.00 0.00 O ATOM 1195 CB ILE A 78 5.246 -3.364 -6.507 1.00 0.00 C ATOM 1196 CG1 ILE A 78 4.073 -4.336 -6.581 1.00 0.00 C ATOM 1197 CG2 ILE A 78 4.935 -2.125 -7.343 1.00 0.00 C ATOM 1198 CD1 ILE A 78 3.191 -3.980 -7.775 1.00 0.00 C ATOM 0 H ILE A 78 6.524 -5.153 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 78 6.330 -4.317 -8.088 1.00 0.00 H new ATOM 0 HB ILE A 78 5.409 -3.071 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.439 -5.358 -6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.492 -4.292 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.037 -1.642 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.773 -1.430 -7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.773 -2.417 -8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.353 -4.675 -7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.814 -2.964 -7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.776 -4.047 -8.692 1.00 0.00 H new ATOM 1210 N HIS A 79 7.861 -2.286 -8.050 1.00 0.00 N ATOM 1211 CA HIS A 79 8.955 -1.338 -8.122 1.00 0.00 C ATOM 1212 C HIS A 79 9.035 -0.544 -6.826 1.00 0.00 C ATOM 1213 O HIS A 79 9.887 -0.814 -5.982 1.00 0.00 O ATOM 1214 CB HIS A 79 8.744 -0.409 -9.314 1.00 0.00 C ATOM 1215 CG HIS A 79 9.526 0.871 -9.197 1.00 0.00 C ATOM 1216 ND1 HIS A 79 10.859 0.977 -8.851 1.00 0.00 N ATOM 1217 CD2 HIS A 79 9.038 2.130 -9.414 1.00 0.00 C ATOM 1218 CE1 HIS A 79 11.178 2.284 -8.859 1.00 0.00 C ATOM 1219 NE2 HIS A 79 10.088 3.001 -9.197 1.00 0.00 N ATOM 0 H HIS A 79 7.246 -2.279 -8.864 1.00 0.00 H new ATOM 0 HA HIS A 79 9.896 -1.871 -8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.035 -0.926 -10.228 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.683 -0.175 -9.404 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.487 0.205 -8.630 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.030 2.392 -9.699 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.151 2.693 -8.631 1.00 0.00 H new ATOM 1228 N GLU A 80 8.144 0.438 -6.669 1.00 0.00 N ATOM 1229 CA GLU A 80 8.121 1.262 -5.476 1.00 0.00 C ATOM 1230 C GLU A 80 6.761 1.932 -5.335 1.00 0.00 C ATOM 1231 O GLU A 80 6.099 2.215 -6.331 1.00 0.00 O ATOM 1232 CB GLU A 80 9.232 2.304 -5.558 1.00 0.00 C ATOM 1233 CG GLU A 80 9.314 3.065 -4.238 1.00 0.00 C ATOM 1234 CD GLU A 80 9.086 4.554 -4.454 1.00 0.00 C ATOM 1235 OE1 GLU A 80 8.413 4.886 -5.454 1.00 0.00 O ATOM 1236 OE2 GLU A 80 9.588 5.333 -3.615 1.00 0.00 O ATOM 0 H GLU A 80 7.431 0.676 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 80 8.288 0.640 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.185 1.819 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.037 2.996 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.570 2.676 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.291 2.905 -3.782 1.00 0.00 H new ATOM 1243 N ILE A 81 6.347 2.186 -4.091 1.00 0.00 N ATOM 1244 CA ILE A 81 5.073 2.823 -3.823 1.00 0.00 C ATOM 1245 C ILE A 81 5.204 4.330 -3.993 1.00 0.00 C ATOM 1246 O ILE A 81 6.205 4.917 -3.588 1.00 0.00 O ATOM 1247 CB ILE A 81 4.619 2.474 -2.408 1.00 0.00 C ATOM 1248 CG1 ILE A 81 4.430 0.965 -2.291 1.00 0.00 C ATOM 1249 CG2 ILE A 81 3.297 3.177 -2.111 1.00 0.00 C ATOM 1250 CD1 ILE A 81 3.210 0.540 -3.103 1.00 0.00 C ATOM 0 H ILE A 81 6.885 1.956 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 81 4.325 2.462 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 81 5.374 2.801 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.319 0.447 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.300 0.684 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.972 2.929 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.432 4.255 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.542 2.850 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.075 -0.538 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.324 1.047 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.358 0.807 -4.149 1.00 0.00 H new ATOM 1262 N LEU A 82 4.190 4.956 -4.594 1.00 0.00 N ATOM 1263 CA LEU A 82 4.197 6.388 -4.814 1.00 0.00 C ATOM 1264 C LEU A 82 3.552 7.096 -3.631 1.00 0.00 C ATOM 1265 O LEU A 82 4.212 7.853 -2.923 1.00 0.00 O ATOM 1266 CB LEU A 82 3.451 6.707 -6.106 1.00 0.00 C ATOM 1267 CG LEU A 82 3.999 5.841 -7.237 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.959 6.625 -8.545 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.439 5.446 -6.923 1.00 0.00 C ATOM 0 H LEU A 82 3.353 4.483 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 82 5.225 6.740 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.384 6.524 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.565 7.762 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 82 3.389 4.943 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.350 6.006 -9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.930 6.906 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.568 7.524 -8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.831 4.827 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.049 6.344 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.467 4.884 -5.989 1.00 0.00 H new ATOM 1281 N SER A 83 2.258 6.847 -3.418 1.00 0.00 N ATOM 1282 CA SER A 83 1.533 7.459 -2.322 1.00 0.00 C ATOM 1283 C SER A 83 0.497 6.485 -1.780 1.00 0.00 C ATOM 1284 O SER A 83 0.254 5.438 -2.376 1.00 0.00 O ATOM 1285 CB SER A 83 0.867 8.742 -2.809 1.00 0.00 C ATOM 1286 OG SER A 83 0.571 9.567 -1.704 1.00 0.00 O ATOM 0 H SER A 83 1.696 6.222 -3.997 1.00 0.00 H new ATOM 0 HA SER A 83 2.224 7.707 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.526 9.266 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.046 8.506 -3.355 1.00 0.00 H new ATOM 0 HG SER A 83 0.144 10.392 -2.017 1.00 0.00 H new ATOM 1292 N ILE A 84 -0.115 6.833 -0.646 1.00 0.00 N ATOM 1293 CA ILE A 84 -1.122 5.993 -0.029 1.00 0.00 C ATOM 1294 C ILE A 84 -2.332 6.835 0.351 1.00 0.00 C ATOM 1295 O ILE A 84 -2.192 7.865 1.008 1.00 0.00 O ATOM 1296 CB ILE A 84 -0.531 5.309 1.200 1.00 0.00 C ATOM 1297 CG1 ILE A 84 0.335 4.131 0.760 1.00 0.00 C ATOM 1298 CG2 ILE A 84 -1.660 4.804 2.094 1.00 0.00 C ATOM 1299 CD1 ILE A 84 0.975 3.484 1.985 1.00 0.00 C ATOM 0 H ILE A 84 0.077 7.698 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.444 5.227 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 84 0.080 6.022 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.271 3.400 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.107 4.471 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.238 4.315 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.279 5.645 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.271 4.091 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.593 2.643 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.595 4.217 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.195 3.129 2.659 1.00 0.00 H new ATOM 1311 N ARG A 85 -3.522 6.395 -0.063 1.00 0.00 N ATOM 1312 CA ARG A 85 -4.748 7.108 0.234 1.00 0.00 C ATOM 1313 C ARG A 85 -5.718 6.187 0.961 1.00 0.00 C ATOM 1314 O ARG A 85 -5.969 5.070 0.513 1.00 0.00 O ATOM 1315 CB ARG A 85 -5.362 7.625 -1.063 1.00 0.00 C ATOM 1316 CG ARG A 85 -6.794 8.084 -0.801 1.00 0.00 C ATOM 1317 CD ARG A 85 -7.387 8.660 -2.084 1.00 0.00 C ATOM 1318 NE ARG A 85 -8.604 9.421 -1.804 1.00 0.00 N ATOM 1319 CZ ARG A 85 -8.586 10.649 -1.267 1.00 0.00 C ATOM 1320 NH1 ARG A 85 -7.417 11.230 -0.965 1.00 0.00 N ATOM 1321 NH2 ARG A 85 -9.736 11.296 -1.033 1.00 0.00 N ATOM 0 H ARG A 85 -3.654 5.543 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.531 7.958 0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.769 8.452 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.353 6.841 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.398 7.246 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.808 8.836 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.655 9.305 -2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.611 7.852 -2.780 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.505 8.999 -2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.542 10.738 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.402 12.164 -0.556 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.626 10.854 -1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.721 12.230 -0.624 1.00 0.00 H new ATOM 1335 N ILE A 86 -6.263 6.658 2.085 1.00 0.00 N ATOM 1336 CA ILE A 86 -7.202 5.879 2.866 1.00 0.00 C ATOM 1337 C ILE A 86 -8.587 6.507 2.783 1.00 0.00 C ATOM 1338 O ILE A 86 -8.728 7.722 2.907 1.00 0.00 O ATOM 1339 CB ILE A 86 -6.725 5.811 4.314 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -5.258 5.393 4.347 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -7.562 4.789 5.077 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -4.811 5.217 5.796 1.00 0.00 C ATOM 0 H ILE A 86 -6.063 7.582 2.469 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.259 4.866 2.469 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.834 6.791 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.122 4.461 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.643 6.146 3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.222 4.740 6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.610 5.087 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.453 3.809 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.763 4.918 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.932 6.159 6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.418 4.448 6.273 1.00 0.00 H new ATOM 1354 N TYR A 87 -9.610 5.676 2.573 1.00 0.00 N ATOM 1355 CA TYR A 87 -10.974 6.155 2.473 1.00 0.00 C ATOM 1356 C TYR A 87 -11.579 6.285 3.864 1.00 0.00 C ATOM 1357 O TYR A 87 -12.492 7.080 4.074 1.00 0.00 O ATOM 1358 CB TYR A 87 -11.789 5.190 1.616 1.00 0.00 C ATOM 1359 CG TYR A 87 -11.521 5.324 0.136 1.00 0.00 C ATOM 1360 CD1 TYR A 87 -10.205 5.300 -0.342 1.00 0.00 C ATOM 1361 CD2 TYR A 87 -12.588 5.473 -0.758 1.00 0.00 C ATOM 1362 CE1 TYR A 87 -9.957 5.424 -1.714 1.00 0.00 C ATOM 1363 CE2 TYR A 87 -12.340 5.597 -2.130 1.00 0.00 C ATOM 1364 CZ TYR A 87 -11.024 5.573 -2.608 1.00 0.00 C ATOM 1365 OH TYR A 87 -10.782 5.695 -3.945 1.00 0.00 O ATOM 0 H TYR A 87 -9.510 4.666 2.470 1.00 0.00 H new ATOM 0 HA TYR A 87 -10.985 7.138 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -11.570 4.168 1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -12.850 5.359 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.382 5.186 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -13.603 5.492 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.942 5.405 -2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.163 5.711 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.995 5.163 -4.185 1.00 0.00 H new TER 1375 TYR A 87