USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 ASN : amide:sc= -1.54 K(o=-1.8,f=-3.7!) USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= -0.227 USER MOD Set 2.1: A 13 LYS NZ :NH3+ -152:sc= 1.06 (180deg=0) USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 1.05 USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0502) USER MOD Single : A 14 ASN : amide:sc= 0.623 K(o=0.62,f=-0.46) USER MOD Single : A 16 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.91 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -2.96! K(o=-3!,f=-0.63) USER MOD Single : A 36 TYR OH : rot 150:sc= -0.0025 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-0.96) USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= -0.0147 (180deg=-0.364) USER MOD Single : A 62 ASN : amide:sc= -3.79! C(o=-3.8!,f=-2.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -6.93! C(o=-6.9!,f=-5.3!) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0.271 (180deg=0.124) USER MOD Single : A 73 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.7!) USER MOD Single : A 77 THR OG1 : rot -2:sc= -3.36 USER MOD Single : A 80 ASN : amide:sc= -2.16 K(o=-2.2,f=-8.2!) USER MOD Single : A 81 THR OG1 : rot -89:sc= -0.697 USER MOD Single : A 83 GLN : amide:sc= -0.591 K(o=-0.59,f=-3) USER MOD Single : A 86 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.65) USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= 0.176 (180deg=-0.273) USER MOD Single : A 93 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.926 2.221 -5.206 1.00 15.00 N ATOM 2 CA PRO A 1 -22.072 2.838 -3.860 1.00 15.00 C ATOM 3 C PRO A 1 -21.820 1.827 -2.741 1.00 15.00 C ATOM 4 O PRO A 1 -22.642 1.663 -1.839 1.00 15.00 O ATOM 5 CB PRO A 1 -23.487 3.401 -3.763 1.00 15.00 C ATOM 6 CG PRO A 1 -24.035 3.258 -5.142 1.00 15.00 C ATOM 7 CD PRO A 1 -23.277 2.123 -5.785 1.00 15.00 C ATOM 0 H2 PRO A 1 -21.496 1.299 -5.135 1.00 15.00 H new ATOM 0 H3 PRO A 1 -21.320 2.788 -5.799 1.00 15.00 H new ATOM 0 HA PRO A 1 -21.330 3.627 -3.738 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -24.086 2.850 -3.038 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -23.480 4.443 -3.444 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -25.104 3.046 -5.115 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -23.907 4.181 -5.708 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -23.737 1.160 -5.563 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -23.254 2.223 -6.870 1.00 15.00 H new ATOM 17 N LYS A 2 -20.677 1.153 -2.807 1.00 15.00 N ATOM 18 CA LYS A 2 -20.315 0.159 -1.802 1.00 15.00 C ATOM 19 C LYS A 2 -18.800 -0.014 -1.732 1.00 15.00 C ATOM 20 O LYS A 2 -18.108 0.096 -2.744 1.00 15.00 O ATOM 21 CB LYS A 2 -20.979 -1.182 -2.120 1.00 15.00 C ATOM 22 CG LYS A 2 -22.251 -1.435 -1.327 1.00 15.00 C ATOM 23 CD LYS A 2 -22.035 -2.478 -0.242 1.00 15.00 C ATOM 24 CE LYS A 2 -23.246 -3.384 -0.092 1.00 15.00 C ATOM 25 NZ LYS A 2 -24.473 -2.619 0.263 1.00 15.00 N ATOM 0 H LYS A 2 -19.985 1.277 -3.546 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.669 0.511 -0.833 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -21.211 -1.220 -3.184 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -20.270 -1.985 -1.920 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -22.590 -0.503 -0.875 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -23.041 -1.768 -2.001 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -21.158 -3.078 -0.482 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -21.831 -1.981 0.707 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -23.412 -3.924 -1.024 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -23.048 -4.130 0.678 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -25.256 -3.281 0.439 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -24.296 -2.057 1.120 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -24.726 -1.985 -0.521 1.00 15.00 H new ATOM 39 N PRO A 3 -18.262 -0.291 -0.531 1.00 15.00 N ATOM 40 CA PRO A 3 -16.821 -0.481 -0.340 1.00 15.00 C ATOM 41 C PRO A 3 -16.319 -1.763 -0.992 1.00 15.00 C ATOM 42 O PRO A 3 -17.018 -2.374 -1.799 1.00 15.00 O ATOM 43 CB PRO A 3 -16.667 -0.562 1.179 1.00 15.00 C ATOM 44 CG PRO A 3 -17.995 -1.024 1.672 1.00 15.00 C ATOM 45 CD PRO A 3 -19.013 -0.443 0.729 1.00 15.00 C ATOM 0 HA PRO A 3 -16.241 0.321 -0.796 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -15.877 -1.258 1.460 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -16.403 0.407 1.602 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -18.050 -2.113 1.683 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -18.171 -0.686 2.693 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -19.872 -1.103 0.608 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -19.394 0.513 1.088 1.00 15.00 H new ATOM 53 N GLY A 4 -15.098 -2.162 -0.649 1.00 15.00 N ATOM 54 CA GLY A 4 -14.530 -3.367 -1.223 1.00 15.00 C ATOM 55 C GLY A 4 -13.874 -3.112 -2.565 1.00 15.00 C ATOM 56 O GLY A 4 -13.106 -3.939 -3.054 1.00 15.00 O ATOM 0 H GLY A 4 -14.495 -1.674 0.013 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -13.794 -3.782 -0.535 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.314 -4.115 -1.341 1.00 15.00 H new ATOM 60 N ASP A 5 -14.174 -1.960 -3.160 1.00 15.00 N ATOM 61 CA ASP A 5 -13.602 -1.600 -4.451 1.00 15.00 C ATOM 62 C ASP A 5 -12.091 -1.492 -4.352 1.00 15.00 C ATOM 63 O ASP A 5 -11.543 -1.189 -3.292 1.00 15.00 O ATOM 64 CB ASP A 5 -14.194 -0.280 -4.948 1.00 15.00 C ATOM 65 CG ASP A 5 -15.657 -0.408 -5.327 1.00 15.00 C ATOM 66 OD1 ASP A 5 -16.059 -1.501 -5.780 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.400 0.584 -5.172 1.00 15.00 O ATOM 0 H ASP A 5 -14.808 -1.263 -2.769 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.848 -2.385 -5.166 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.088 0.478 -4.172 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.627 0.067 -5.812 1.00 15.00 H new ATOM 72 N ILE A 6 -11.424 -1.757 -5.462 1.00 15.00 N ATOM 73 CA ILE A 6 -9.975 -1.710 -5.512 1.00 15.00 C ATOM 74 C ILE A 6 -9.485 -0.452 -6.222 1.00 15.00 C ATOM 75 O ILE A 6 -10.109 0.024 -7.171 1.00 15.00 O ATOM 76 CB ILE A 6 -9.421 -2.962 -6.229 1.00 15.00 C ATOM 77 CG1 ILE A 6 -8.856 -3.953 -5.210 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.354 -2.589 -7.256 1.00 15.00 C ATOM 79 CD1 ILE A 6 -9.921 -4.651 -4.393 1.00 15.00 C ATOM 0 H ILE A 6 -11.867 -2.008 -6.346 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.609 -1.690 -4.486 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.246 -3.435 -6.761 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.262 -4.702 -5.734 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.181 -3.425 -4.537 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.985 -3.492 -7.742 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.786 -1.925 -8.004 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.528 -2.083 -6.755 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.449 -5.339 -3.691 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.500 -3.910 -3.841 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.582 -5.208 -5.057 1.00 15.00 H new ATOM 91 N PHE A 7 -8.352 0.066 -5.767 1.00 15.00 N ATOM 92 CA PHE A 7 -7.760 1.252 -6.367 1.00 15.00 C ATOM 93 C PHE A 7 -6.243 1.105 -6.438 1.00 15.00 C ATOM 94 O PHE A 7 -5.643 0.397 -5.631 1.00 15.00 O ATOM 95 CB PHE A 7 -8.144 2.509 -5.577 1.00 15.00 C ATOM 96 CG PHE A 7 -7.352 2.702 -4.313 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.055 3.188 -4.361 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.906 2.399 -3.080 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.326 3.368 -3.203 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.181 2.577 -1.918 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.889 3.062 -1.981 1.00 15.00 C ATOM 0 H PHE A 7 -7.824 -0.318 -4.983 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.148 1.358 -7.380 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.009 3.382 -6.215 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.203 2.458 -5.326 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.610 3.429 -5.315 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.916 2.019 -3.027 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.316 3.748 -3.253 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.623 2.338 -0.962 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.320 3.202 -1.074 1.00 15.00 H new ATOM 111 N GLU A 8 -5.630 1.764 -7.413 1.00 15.00 N ATOM 112 CA GLU A 8 -4.184 1.687 -7.592 1.00 15.00 C ATOM 113 C GLU A 8 -3.531 3.059 -7.498 1.00 15.00 C ATOM 114 O GLU A 8 -4.073 4.060 -7.966 1.00 15.00 O ATOM 115 CB GLU A 8 -3.859 1.057 -8.941 1.00 15.00 C ATOM 116 CG GLU A 8 -4.579 1.711 -10.100 1.00 15.00 C ATOM 117 CD GLU A 8 -6.003 1.214 -10.261 1.00 15.00 C ATOM 118 OE1 GLU A 8 -6.189 0.123 -10.839 1.00 15.00 O ATOM 119 OE2 GLU A 8 -6.931 1.917 -9.808 1.00 15.00 O ATOM 0 H GLU A 8 -6.109 2.357 -8.091 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.784 1.068 -6.789 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.784 1.116 -9.111 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.120 -0.001 -8.912 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -4.590 2.791 -9.953 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.026 1.521 -11.020 1.00 15.00 H new ATOM 126 N VAL A 9 -2.348 3.079 -6.903 1.00 15.00 N ATOM 127 CA VAL A 9 -1.571 4.301 -6.746 1.00 15.00 C ATOM 128 C VAL A 9 -0.469 4.342 -7.794 1.00 15.00 C ATOM 129 O VAL A 9 0.421 3.492 -7.804 1.00 15.00 O ATOM 130 CB VAL A 9 -0.963 4.427 -5.320 1.00 15.00 C ATOM 131 CG1 VAL A 9 -0.978 3.088 -4.597 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.454 4.992 -5.364 1.00 15.00 C ATOM 0 H VAL A 9 -1.899 2.249 -6.515 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.244 5.147 -6.885 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.587 5.126 -4.763 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.547 3.206 -3.603 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.005 2.734 -4.507 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.393 2.363 -5.162 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.848 5.066 -4.350 1.00 15.00 H new ATOM 0 HG22 VAL A 9 1.091 4.332 -5.953 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.437 5.982 -5.820 1.00 15.00 H new ATOM 142 N GLU A 10 -0.547 5.314 -8.688 1.00 15.00 N ATOM 143 CA GLU A 10 0.433 5.437 -9.754 1.00 15.00 C ATOM 144 C GLU A 10 1.399 6.594 -9.522 1.00 15.00 C ATOM 145 O GLU A 10 1.324 7.623 -10.193 1.00 15.00 O ATOM 146 CB GLU A 10 -0.283 5.606 -11.087 1.00 15.00 C ATOM 147 CG GLU A 10 0.655 5.776 -12.272 1.00 15.00 C ATOM 148 CD GLU A 10 0.298 6.975 -13.131 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.884 7.100 -13.513 1.00 15.00 O ATOM 150 OE2 GLU A 10 1.202 7.787 -13.420 1.00 15.00 O ATOM 0 H GLU A 10 -1.276 6.027 -8.697 1.00 15.00 H new ATOM 0 HA GLU A 10 1.028 4.524 -9.766 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.918 4.737 -11.260 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.940 6.474 -11.028 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.677 5.885 -11.909 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.629 4.874 -12.884 1.00 15.00 H new ATOM 157 N LEU A 11 2.325 6.406 -8.590 1.00 15.00 N ATOM 158 CA LEU A 11 3.327 7.424 -8.298 1.00 15.00 C ATOM 159 C LEU A 11 4.529 7.227 -9.215 1.00 15.00 C ATOM 160 O LEU A 11 4.669 6.177 -9.838 1.00 15.00 O ATOM 161 CB LEU A 11 3.765 7.352 -6.832 1.00 15.00 C ATOM 162 CG LEU A 11 4.050 8.701 -6.164 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.797 9.563 -6.125 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.597 8.493 -4.758 1.00 15.00 C ATOM 0 H LEU A 11 2.403 5.561 -8.025 1.00 15.00 H new ATOM 0 HA LEU A 11 2.892 8.408 -8.473 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.988 6.841 -6.263 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.663 6.737 -6.769 1.00 15.00 H new ATOM 0 HG LEU A 11 4.802 9.222 -6.757 1.00 15.00 H new ATOM 0 HD11 LEU A 11 3.025 10.515 -5.646 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.447 9.743 -7.142 1.00 15.00 H new ATOM 0 HD13 LEU A 11 2.020 9.050 -5.559 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.794 9.461 -4.297 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.866 7.949 -4.160 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.523 7.920 -4.809 1.00 15.00 H new ATOM 176 N ALA A 12 5.391 8.229 -9.306 1.00 15.00 N ATOM 177 CA ALA A 12 6.567 8.126 -10.163 1.00 15.00 C ATOM 178 C ALA A 12 7.794 7.695 -9.372 1.00 15.00 C ATOM 179 O ALA A 12 8.456 8.512 -8.732 1.00 15.00 O ATOM 180 CB ALA A 12 6.831 9.439 -10.877 1.00 15.00 C ATOM 0 H ALA A 12 5.302 9.113 -8.805 1.00 15.00 H new ATOM 0 HA ALA A 12 6.363 7.360 -10.911 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.713 9.338 -11.510 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.970 9.698 -11.493 1.00 15.00 H new ATOM 0 HB3 ALA A 12 7.001 10.225 -10.142 1.00 15.00 H new ATOM 186 N LYS A 13 8.089 6.403 -9.424 1.00 15.00 N ATOM 187 CA LYS A 13 9.234 5.845 -8.719 1.00 15.00 C ATOM 188 C LYS A 13 10.545 6.408 -9.268 1.00 15.00 C ATOM 189 O LYS A 13 11.509 6.602 -8.527 1.00 15.00 O ATOM 190 CB LYS A 13 9.223 4.320 -8.835 1.00 15.00 C ATOM 191 CG LYS A 13 9.723 3.612 -7.589 1.00 15.00 C ATOM 192 CD LYS A 13 11.151 4.010 -7.261 1.00 15.00 C ATOM 193 CE LYS A 13 11.201 4.987 -6.097 1.00 15.00 C ATOM 194 NZ LYS A 13 12.538 5.004 -5.443 1.00 15.00 N ATOM 0 H LYS A 13 7.547 5.718 -9.951 1.00 15.00 H new ATOM 0 HA LYS A 13 9.161 6.126 -7.668 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.207 3.988 -9.049 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.840 4.024 -9.683 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.074 3.853 -6.747 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.669 2.533 -7.735 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.731 3.120 -7.016 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.615 4.462 -8.138 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.958 5.988 -6.453 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.442 4.717 -5.363 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.432 5.269 -4.443 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.968 4.059 -5.507 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 13.150 5.695 -5.922 1.00 15.00 H new ATOM 208 N ASN A 14 10.571 6.670 -10.570 1.00 15.00 N ATOM 209 CA ASN A 14 11.761 7.208 -11.221 1.00 15.00 C ATOM 210 C ASN A 14 11.807 8.728 -11.096 1.00 15.00 C ATOM 211 O ASN A 14 11.772 9.448 -12.094 1.00 15.00 O ATOM 212 CB ASN A 14 11.790 6.803 -12.696 1.00 15.00 C ATOM 213 CG ASN A 14 13.142 7.045 -13.336 1.00 15.00 C ATOM 214 OD1 ASN A 14 13.952 6.127 -13.469 1.00 15.00 O ATOM 215 ND2 ASN A 14 13.394 8.286 -13.736 1.00 15.00 N ATOM 0 H ASN A 14 9.781 6.518 -11.197 1.00 15.00 H new ATOM 0 HA ASN A 14 12.637 6.793 -10.722 1.00 15.00 H new ATOM 0 HB2 ASN A 14 11.533 5.748 -12.785 1.00 15.00 H new ATOM 0 HB3 ASN A 14 11.029 7.363 -13.239 1.00 15.00 H new ATOM 0 HD21 ASN A 14 14.288 8.509 -14.173 1.00 15.00 H new ATOM 0 HD22 ASN A 14 12.693 9.016 -13.606 1.00 15.00 H new ATOM 222 N ASP A 15 11.889 9.202 -9.859 1.00 15.00 N ATOM 223 CA ASP A 15 11.942 10.632 -9.578 1.00 15.00 C ATOM 224 C ASP A 15 12.028 10.870 -8.076 1.00 15.00 C ATOM 225 O ASP A 15 12.734 11.765 -7.613 1.00 15.00 O ATOM 226 CB ASP A 15 10.709 11.338 -10.148 1.00 15.00 C ATOM 227 CG ASP A 15 10.949 12.815 -10.390 1.00 15.00 C ATOM 228 OD1 ASP A 15 11.715 13.426 -9.615 1.00 15.00 O ATOM 229 OD2 ASP A 15 10.370 13.361 -11.353 1.00 15.00 O ATOM 0 H ASP A 15 11.920 8.612 -9.028 1.00 15.00 H new ATOM 0 HA ASP A 15 12.832 11.043 -10.055 1.00 15.00 H new ATOM 0 HB2 ASP A 15 10.421 10.861 -11.085 1.00 15.00 H new ATOM 0 HB3 ASP A 15 9.873 11.217 -9.459 1.00 15.00 H new ATOM 234 N ASN A 16 11.303 10.051 -7.322 1.00 15.00 N ATOM 235 CA ASN A 16 11.288 10.149 -5.869 1.00 15.00 C ATOM 236 C ASN A 16 10.689 8.886 -5.260 1.00 15.00 C ATOM 237 O ASN A 16 9.833 8.241 -5.866 1.00 15.00 O ATOM 238 CB ASN A 16 10.489 11.376 -5.424 1.00 15.00 C ATOM 239 CG ASN A 16 11.092 12.047 -4.206 1.00 15.00 C ATOM 240 OD1 ASN A 16 12.282 11.901 -3.928 1.00 15.00 O ATOM 241 ND2 ASN A 16 10.271 12.789 -3.472 1.00 15.00 N ATOM 0 H ASN A 16 10.715 9.307 -7.697 1.00 15.00 H new ATOM 0 HA ASN A 16 12.315 10.256 -5.520 1.00 15.00 H new ATOM 0 HB2 ASN A 16 10.442 12.092 -6.244 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.464 11.078 -5.201 1.00 15.00 H new ATOM 0 HD21 ASN A 16 10.620 13.266 -2.641 1.00 15.00 H new ATOM 0 HD22 ASN A 16 9.291 12.882 -3.740 1.00 15.00 H new ATOM 248 N SER A 17 11.140 8.537 -4.061 1.00 15.00 N ATOM 249 CA SER A 17 10.641 7.350 -3.380 1.00 15.00 C ATOM 250 C SER A 17 9.378 7.673 -2.601 1.00 15.00 C ATOM 251 O SER A 17 8.830 8.767 -2.717 1.00 15.00 O ATOM 252 CB SER A 17 11.692 6.796 -2.422 1.00 15.00 C ATOM 253 OG SER A 17 12.310 5.636 -2.952 1.00 15.00 O ATOM 0 H SER A 17 11.848 9.057 -3.542 1.00 15.00 H new ATOM 0 HA SER A 17 10.416 6.601 -4.139 1.00 15.00 H new ATOM 0 HB2 SER A 17 12.448 7.557 -2.228 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.226 6.558 -1.466 1.00 15.00 H new ATOM 0 HG SER A 17 12.980 5.304 -2.318 1.00 15.00 H new ATOM 259 N LEU A 18 8.925 6.720 -1.798 1.00 15.00 N ATOM 260 CA LEU A 18 7.732 6.925 -0.998 1.00 15.00 C ATOM 261 C LEU A 18 8.088 7.545 0.346 1.00 15.00 C ATOM 262 O LEU A 18 9.241 7.898 0.595 1.00 15.00 O ATOM 263 CB LEU A 18 6.979 5.606 -0.791 1.00 15.00 C ATOM 264 CG LEU A 18 6.550 4.895 -2.076 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.774 5.844 -2.977 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.761 4.336 -2.806 1.00 15.00 C ATOM 0 H LEU A 18 9.363 5.806 -1.686 1.00 15.00 H new ATOM 0 HA LEU A 18 7.079 7.612 -1.537 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.612 4.931 -0.215 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.092 5.803 -0.189 1.00 15.00 H new ATOM 0 HG LEU A 18 5.897 4.064 -1.808 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.477 5.321 -3.886 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.885 6.197 -2.454 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.403 6.695 -3.237 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.437 3.834 -3.717 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.439 5.150 -3.062 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.276 3.623 -2.163 1.00 15.00 H new ATOM 278 N GLY A 19 7.090 7.677 1.206 1.00 15.00 N ATOM 279 CA GLY A 19 7.307 8.257 2.515 1.00 15.00 C ATOM 280 C GLY A 19 6.200 7.900 3.473 1.00 15.00 C ATOM 281 O GLY A 19 5.706 8.750 4.208 1.00 15.00 O ATOM 0 H GLY A 19 6.129 7.391 1.020 1.00 15.00 H new ATOM 0 HA2 GLY A 19 8.260 7.909 2.914 1.00 15.00 H new ATOM 0 HA3 GLY A 19 7.376 9.341 2.426 1.00 15.00 H new ATOM 285 N ILE A 20 5.800 6.639 3.445 1.00 15.00 N ATOM 286 CA ILE A 20 4.735 6.154 4.303 1.00 15.00 C ATOM 287 C ILE A 20 5.256 5.165 5.341 1.00 15.00 C ATOM 288 O ILE A 20 6.052 4.279 5.028 1.00 15.00 O ATOM 289 CB ILE A 20 3.620 5.488 3.464 1.00 15.00 C ATOM 290 CG1 ILE A 20 2.284 6.166 3.745 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.530 4.002 3.758 1.00 15.00 C ATOM 292 CD1 ILE A 20 1.080 5.276 3.537 1.00 15.00 C ATOM 0 H ILE A 20 6.201 5.929 2.832 1.00 15.00 H new ATOM 0 HA ILE A 20 4.325 7.017 4.828 1.00 15.00 H new ATOM 0 HB ILE A 20 3.866 5.607 2.409 1.00 15.00 H new ATOM 0 HG12 ILE A 20 2.282 6.526 4.774 1.00 15.00 H new ATOM 0 HG13 ILE A 20 2.191 7.040 3.101 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.738 3.559 3.154 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.480 3.525 3.517 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.307 3.853 4.815 1.00 15.00 H new ATOM 0 HD11 ILE A 20 0.171 5.836 3.758 1.00 15.00 H new ATOM 0 HD12 ILE A 20 1.054 4.936 2.502 1.00 15.00 H new ATOM 0 HD13 ILE A 20 1.146 4.414 4.201 1.00 15.00 H new ATOM 304 N SER A 21 4.763 5.292 6.564 1.00 15.00 N ATOM 305 CA SER A 21 5.135 4.379 7.631 1.00 15.00 C ATOM 306 C SER A 21 4.122 3.241 7.645 1.00 15.00 C ATOM 307 O SER A 21 2.981 3.422 8.069 1.00 15.00 O ATOM 308 CB SER A 21 5.165 5.105 8.980 1.00 15.00 C ATOM 309 OG SER A 21 5.414 4.200 10.042 1.00 15.00 O ATOM 0 H SER A 21 4.104 6.020 6.841 1.00 15.00 H new ATOM 0 HA SER A 21 6.136 3.984 7.459 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.937 5.874 8.965 1.00 15.00 H new ATOM 0 HB3 SER A 21 4.214 5.611 9.145 1.00 15.00 H new ATOM 0 HG SER A 21 5.430 4.689 10.891 1.00 15.00 H new ATOM 315 N VAL A 22 4.522 2.087 7.124 1.00 15.00 N ATOM 316 CA VAL A 22 3.614 0.949 7.026 1.00 15.00 C ATOM 317 C VAL A 22 3.713 0.002 8.215 1.00 15.00 C ATOM 318 O VAL A 22 4.744 -0.081 8.883 1.00 15.00 O ATOM 319 CB VAL A 22 3.872 0.154 5.733 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.669 1.036 4.512 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.274 -0.432 5.737 1.00 15.00 C ATOM 0 H VAL A 22 5.461 1.914 6.765 1.00 15.00 H new ATOM 0 HA VAL A 22 2.609 1.370 7.017 1.00 15.00 H new ATOM 0 HB VAL A 22 3.155 -0.666 5.688 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.856 0.455 3.609 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.645 1.408 4.498 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.360 1.878 4.552 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.438 -0.990 4.815 1.00 15.00 H new ATOM 0 HG22 VAL A 22 6.005 0.374 5.808 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.387 -1.100 6.591 1.00 15.00 H new ATOM 331 N THR A 23 2.616 -0.711 8.463 1.00 15.00 N ATOM 332 CA THR A 23 2.542 -1.665 9.561 1.00 15.00 C ATOM 333 C THR A 23 1.599 -2.819 9.213 1.00 15.00 C ATOM 334 O THR A 23 1.085 -2.901 8.094 1.00 15.00 O ATOM 335 CB THR A 23 2.065 -0.962 10.834 1.00 15.00 C ATOM 336 OG1 THR A 23 2.108 0.445 10.677 1.00 15.00 O ATOM 337 CG2 THR A 23 2.888 -1.309 12.053 1.00 15.00 C ATOM 0 H THR A 23 1.761 -0.643 7.911 1.00 15.00 H new ATOM 0 HA THR A 23 3.538 -2.074 9.731 1.00 15.00 H new ATOM 0 HB THR A 23 1.045 -1.312 10.990 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.274 0.866 11.546 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.496 -0.777 12.920 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.837 -2.383 12.233 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.925 -1.018 11.887 1.00 15.00 H new ATOM 345 N GLY A 24 1.373 -3.706 10.180 1.00 15.00 N ATOM 346 CA GLY A 24 0.491 -4.841 9.959 1.00 15.00 C ATOM 347 C GLY A 24 1.072 -5.843 8.981 1.00 15.00 C ATOM 348 O GLY A 24 2.145 -6.396 9.215 1.00 15.00 O ATOM 0 H GLY A 24 1.785 -3.659 11.112 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.296 -5.337 10.910 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.468 -4.485 9.583 1.00 15.00 H new ATOM 352 N GLY A 25 0.364 -6.070 7.878 1.00 15.00 N ATOM 353 CA GLY A 25 0.835 -7.001 6.869 1.00 15.00 C ATOM 354 C GLY A 25 0.832 -8.446 7.330 1.00 15.00 C ATOM 355 O GLY A 25 0.113 -9.275 6.773 1.00 15.00 O ATOM 0 H GLY A 25 -0.529 -5.625 7.665 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.209 -6.910 5.981 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.847 -6.724 6.575 1.00 15.00 H new ATOM 359 N VAL A 26 1.652 -8.748 8.337 1.00 15.00 N ATOM 360 CA VAL A 26 1.770 -10.106 8.882 1.00 15.00 C ATOM 361 C VAL A 26 0.466 -10.893 8.767 1.00 15.00 C ATOM 362 O VAL A 26 -0.618 -10.360 9.003 1.00 15.00 O ATOM 363 CB VAL A 26 2.210 -10.084 10.360 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.716 -10.267 10.472 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.774 -8.791 11.030 1.00 15.00 C ATOM 0 H VAL A 26 2.252 -8.064 8.798 1.00 15.00 H new ATOM 0 HA VAL A 26 2.531 -10.604 8.281 1.00 15.00 H new ATOM 0 HB VAL A 26 1.726 -10.914 10.875 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.008 -10.249 11.522 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.000 -11.223 10.033 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.221 -9.460 9.941 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.094 -8.795 12.072 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.227 -7.944 10.515 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.688 -8.706 10.984 1.00 15.00 H new ATOM 375 N ASN A 27 0.586 -12.165 8.400 1.00 15.00 N ATOM 376 CA ASN A 27 -0.574 -13.034 8.246 1.00 15.00 C ATOM 377 C ASN A 27 -1.120 -13.464 9.605 1.00 15.00 C ATOM 378 O ASN A 27 -1.128 -14.650 9.936 1.00 15.00 O ATOM 379 CB ASN A 27 -0.200 -14.268 7.421 1.00 15.00 C ATOM 380 CG ASN A 27 0.991 -15.008 7.997 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.218 -14.997 9.207 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.761 -15.656 7.130 1.00 15.00 N ATOM 0 H ASN A 27 1.479 -12.618 8.203 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.351 -12.474 7.726 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -1.055 -14.942 7.373 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.024 -13.964 6.399 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.578 -16.171 7.459 1.00 15.00 H new ATOM 0 HD22 ASN A 27 1.536 -15.638 6.135 1.00 15.00 H new ATOM 389 N THR A 28 -1.576 -12.493 10.390 1.00 15.00 N ATOM 390 CA THR A 28 -2.122 -12.776 11.713 1.00 15.00 C ATOM 391 C THR A 28 -3.159 -11.732 12.114 1.00 15.00 C ATOM 392 O THR A 28 -4.268 -12.071 12.527 1.00 15.00 O ATOM 393 CB THR A 28 -1.000 -12.822 12.751 1.00 15.00 C ATOM 394 OG1 THR A 28 0.128 -13.511 12.241 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.406 -13.499 14.042 1.00 15.00 C ATOM 0 H THR A 28 -1.578 -11.506 10.134 1.00 15.00 H new ATOM 0 HA THR A 28 -2.613 -13.749 11.673 1.00 15.00 H new ATOM 0 HB THR A 28 -0.763 -11.780 12.965 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.835 -13.528 12.919 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.564 -13.497 14.734 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.243 -12.961 14.487 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.704 -14.527 13.836 1.00 15.00 H new ATOM 403 N SER A 29 -2.789 -10.461 11.996 1.00 15.00 N ATOM 404 CA SER A 29 -3.687 -9.368 12.353 1.00 15.00 C ATOM 405 C SER A 29 -4.569 -8.971 11.173 1.00 15.00 C ATOM 406 O SER A 29 -5.757 -8.694 11.340 1.00 15.00 O ATOM 407 CB SER A 29 -2.883 -8.157 12.831 1.00 15.00 C ATOM 408 OG SER A 29 -1.583 -8.539 13.246 1.00 15.00 O ATOM 0 H SER A 29 -1.875 -10.162 11.656 1.00 15.00 H new ATOM 0 HA SER A 29 -4.331 -9.714 13.161 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.811 -7.424 12.027 1.00 15.00 H new ATOM 0 HB3 SER A 29 -3.404 -7.674 13.657 1.00 15.00 H new ATOM 0 HG SER A 29 -1.089 -7.747 13.545 1.00 15.00 H new ATOM 414 N VAL A 30 -3.981 -8.941 9.982 1.00 15.00 N ATOM 415 CA VAL A 30 -4.716 -8.572 8.778 1.00 15.00 C ATOM 416 C VAL A 30 -5.679 -9.677 8.354 1.00 15.00 C ATOM 417 O VAL A 30 -5.839 -10.678 9.054 1.00 15.00 O ATOM 418 CB VAL A 30 -3.760 -8.255 7.612 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.830 -7.111 7.983 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.965 -9.491 7.215 1.00 15.00 C ATOM 0 H VAL A 30 -2.999 -9.167 9.825 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.289 -7.677 9.020 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.356 -7.947 6.753 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.162 -6.900 7.148 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.419 -6.222 8.210 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.242 -7.389 8.857 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.297 -9.244 6.390 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.378 -9.835 8.067 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.650 -10.280 6.903 1.00 15.00 H new ATOM 430 N ARG A 31 -6.323 -9.486 7.207 1.00 15.00 N ATOM 431 CA ARG A 31 -7.275 -10.462 6.689 1.00 15.00 C ATOM 432 C ARG A 31 -6.605 -11.813 6.445 1.00 15.00 C ATOM 433 O ARG A 31 -7.182 -12.860 6.740 1.00 15.00 O ATOM 434 CB ARG A 31 -7.912 -9.945 5.397 1.00 15.00 C ATOM 435 CG ARG A 31 -8.891 -10.921 4.764 1.00 15.00 C ATOM 436 CD ARG A 31 -9.816 -10.223 3.779 1.00 15.00 C ATOM 437 NE ARG A 31 -11.220 -10.351 4.162 1.00 15.00 N ATOM 438 CZ ARG A 31 -12.183 -9.536 3.736 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.898 -8.535 2.912 1.00 15.00 N ATOM 440 NH2 ARG A 31 -13.434 -9.722 4.134 1.00 15.00 N ATOM 0 H ARG A 31 -6.202 -8.662 6.618 1.00 15.00 H new ATOM 0 HA ARG A 31 -8.054 -10.604 7.438 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -8.430 -9.009 5.607 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.124 -9.718 4.679 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.340 -11.709 4.251 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.483 -11.401 5.543 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.551 -9.167 3.719 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.672 -10.645 2.784 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.478 -11.110 4.793 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -10.938 -8.387 2.602 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.640 -7.914 2.589 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.659 -10.490 4.767 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -14.171 -9.097 3.807 1.00 15.00 H new ATOM 454 N HIS A 32 -5.386 -11.788 5.911 1.00 15.00 N ATOM 455 CA HIS A 32 -4.653 -13.022 5.640 1.00 15.00 C ATOM 456 C HIS A 32 -3.167 -12.752 5.410 1.00 15.00 C ATOM 457 O HIS A 32 -2.313 -13.441 5.967 1.00 15.00 O ATOM 458 CB HIS A 32 -5.253 -13.753 4.433 1.00 15.00 C ATOM 459 CG HIS A 32 -5.450 -12.893 3.221 1.00 15.00 C ATOM 460 ND1 HIS A 32 -5.409 -13.391 1.935 1.00 15.00 N ATOM 461 CD2 HIS A 32 -5.704 -11.567 3.097 1.00 15.00 C ATOM 462 CE1 HIS A 32 -5.627 -12.411 1.076 1.00 15.00 C ATOM 463 NE2 HIS A 32 -5.809 -11.295 1.756 1.00 15.00 N ATOM 0 H HIS A 32 -4.888 -10.934 5.659 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.746 -13.659 6.520 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.603 -14.587 4.169 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -6.214 -14.177 4.722 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -5.805 -10.856 3.904 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -5.652 -12.507 0.001 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -5.997 -10.378 1.350 1.00 15.00 H new ATOM 472 N GLY A 33 -2.861 -11.754 4.588 1.00 15.00 N ATOM 473 CA GLY A 33 -1.473 -11.425 4.306 1.00 15.00 C ATOM 474 C GLY A 33 -1.316 -10.122 3.542 1.00 15.00 C ATOM 475 O GLY A 33 -0.275 -9.878 2.932 1.00 15.00 O ATOM 0 H GLY A 33 -3.546 -11.167 4.112 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.923 -11.358 5.245 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -1.023 -12.234 3.730 1.00 15.00 H new ATOM 479 N GLY A 34 -2.339 -9.274 3.588 1.00 15.00 N ATOM 480 CA GLY A 34 -2.270 -7.996 2.906 1.00 15.00 C ATOM 481 C GLY A 34 -1.697 -6.929 3.811 1.00 15.00 C ATOM 482 O GLY A 34 -1.796 -7.039 5.033 1.00 15.00 O ATOM 0 H GLY A 34 -3.213 -9.449 4.085 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.653 -8.090 2.012 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.266 -7.702 2.576 1.00 15.00 H new ATOM 486 N ILE A 35 -1.087 -5.900 3.235 1.00 15.00 N ATOM 487 CA ILE A 35 -0.502 -4.845 4.050 1.00 15.00 C ATOM 488 C ILE A 35 -1.503 -3.743 4.348 1.00 15.00 C ATOM 489 O ILE A 35 -2.458 -3.528 3.603 1.00 15.00 O ATOM 490 CB ILE A 35 0.762 -4.232 3.400 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.913 -4.208 4.417 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.482 -2.834 2.850 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.338 -2.821 4.859 1.00 15.00 C ATOM 0 H ILE A 35 -0.986 -5.775 2.228 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.210 -5.320 4.987 1.00 15.00 H new ATOM 0 HB ILE A 35 1.055 -4.857 2.556 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.615 -4.780 5.296 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.774 -4.716 3.983 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.390 -2.431 2.400 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.303 -2.890 2.096 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.159 -2.182 3.661 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.155 -2.902 5.576 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.671 -2.249 3.993 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.494 -2.313 5.326 1.00 15.00 H new ATOM 505 N TYR A 36 -1.254 -3.040 5.439 1.00 15.00 N ATOM 506 CA TYR A 36 -2.105 -1.939 5.849 1.00 15.00 C ATOM 507 C TYR A 36 -1.253 -0.800 6.378 1.00 15.00 C ATOM 508 O TYR A 36 -0.688 -0.887 7.469 1.00 15.00 O ATOM 509 CB TYR A 36 -3.105 -2.393 6.909 1.00 15.00 C ATOM 510 CG TYR A 36 -4.117 -3.383 6.387 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.745 -4.685 6.081 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.442 -3.015 6.193 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.664 -5.594 5.598 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.369 -3.919 5.711 1.00 15.00 C ATOM 515 CZ TYR A 36 -5.975 -5.207 5.415 1.00 15.00 C ATOM 516 OH TYR A 36 -6.894 -6.112 4.935 1.00 15.00 O ATOM 0 H TYR A 36 -0.464 -3.214 6.060 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.667 -1.590 4.982 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.563 -2.842 7.741 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.628 -1.522 7.302 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.719 -4.992 6.223 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.753 -2.006 6.422 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.358 -6.603 5.365 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.396 -3.619 5.567 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.781 -5.897 5.291 1.00 15.00 H new ATOM 526 N VAL A 37 -1.148 0.258 5.590 1.00 15.00 N ATOM 527 CA VAL A 37 -0.339 1.407 5.977 1.00 15.00 C ATOM 528 C VAL A 37 -0.765 1.954 7.334 1.00 15.00 C ATOM 529 O VAL A 37 -1.940 1.928 7.688 1.00 15.00 O ATOM 530 CB VAL A 37 -0.369 2.547 4.913 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.725 2.026 3.534 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.306 3.681 5.291 1.00 15.00 C ATOM 0 H VAL A 37 -1.609 0.347 4.684 1.00 15.00 H new ATOM 0 HA VAL A 37 0.687 1.045 6.046 1.00 15.00 H new ATOM 0 HB VAL A 37 0.645 2.946 4.887 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.735 2.853 2.824 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.014 1.288 3.222 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.711 1.562 3.564 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.285 4.445 4.514 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.320 3.296 5.394 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -0.986 4.118 6.237 1.00 15.00 H new ATOM 542 N LYS A 38 0.198 2.472 8.079 1.00 15.00 N ATOM 543 CA LYS A 38 -0.085 3.057 9.377 1.00 15.00 C ATOM 544 C LYS A 38 -0.619 4.467 9.164 1.00 15.00 C ATOM 545 O LYS A 38 -1.652 4.845 9.715 1.00 15.00 O ATOM 546 CB LYS A 38 1.176 3.043 10.261 1.00 15.00 C ATOM 547 CG LYS A 38 1.769 4.412 10.580 1.00 15.00 C ATOM 548 CD LYS A 38 2.331 4.448 11.992 1.00 15.00 C ATOM 549 CE LYS A 38 1.495 5.334 12.901 1.00 15.00 C ATOM 550 NZ LYS A 38 1.798 5.096 14.340 1.00 15.00 N ATOM 0 H LYS A 38 1.181 2.499 7.807 1.00 15.00 H new ATOM 0 HA LYS A 38 -0.840 2.472 9.901 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.935 2.543 11.199 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.939 2.442 9.766 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.558 4.646 9.865 1.00 15.00 H new ATOM 0 HG3 LYS A 38 1.002 5.179 10.471 1.00 15.00 H new ATOM 0 HD2 LYS A 38 2.364 3.437 12.398 1.00 15.00 H new ATOM 0 HD3 LYS A 38 3.357 4.815 11.967 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.681 6.380 12.659 1.00 15.00 H new ATOM 0 HE3 LYS A 38 0.437 5.147 12.717 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 1.207 5.719 14.927 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.597 4.104 14.578 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.802 5.299 14.522 1.00 15.00 H new ATOM 564 N ALA A 39 0.092 5.228 8.335 1.00 15.00 N ATOM 565 CA ALA A 39 -0.300 6.589 8.005 1.00 15.00 C ATOM 566 C ALA A 39 0.588 7.136 6.897 1.00 15.00 C ATOM 567 O ALA A 39 1.559 6.492 6.509 1.00 15.00 O ATOM 568 CB ALA A 39 -0.245 7.475 9.236 1.00 15.00 C ATOM 0 H ALA A 39 0.950 4.918 7.878 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.329 6.580 7.646 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.542 8.489 8.968 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -0.925 7.087 9.995 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.771 7.487 9.631 1.00 15.00 H new ATOM 574 N VAL A 40 0.269 8.328 6.403 1.00 15.00 N ATOM 575 CA VAL A 40 1.067 8.950 5.346 1.00 15.00 C ATOM 576 C VAL A 40 2.055 9.933 5.961 1.00 15.00 C ATOM 577 O VAL A 40 1.663 10.965 6.507 1.00 15.00 O ATOM 578 CB VAL A 40 0.196 9.684 4.297 1.00 15.00 C ATOM 579 CG1 VAL A 40 0.166 8.908 2.989 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.216 9.909 4.814 1.00 15.00 C ATOM 0 H VAL A 40 -0.530 8.881 6.713 1.00 15.00 H new ATOM 0 HA VAL A 40 1.596 8.150 4.829 1.00 15.00 H new ATOM 0 HB VAL A 40 0.646 10.659 4.113 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.451 9.440 2.265 1.00 15.00 H new ATOM 0 HG12 VAL A 40 1.180 8.811 2.600 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.252 7.917 3.164 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -1.803 10.426 4.055 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -1.679 8.948 5.038 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.180 10.514 5.720 1.00 15.00 H new ATOM 590 N ILE A 41 3.335 9.581 5.914 1.00 15.00 N ATOM 591 CA ILE A 41 4.377 10.405 6.513 1.00 15.00 C ATOM 592 C ILE A 41 4.760 11.616 5.659 1.00 15.00 C ATOM 593 O ILE A 41 5.272 11.471 4.547 1.00 15.00 O ATOM 594 CB ILE A 41 5.626 9.550 6.856 1.00 15.00 C ATOM 595 CG1 ILE A 41 5.364 8.676 8.091 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.853 10.422 7.085 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.931 8.203 8.227 1.00 15.00 C ATOM 0 H ILE A 41 3.676 8.730 5.467 1.00 15.00 H new ATOM 0 HA ILE A 41 3.958 10.806 7.436 1.00 15.00 H new ATOM 0 HB ILE A 41 5.824 8.904 6.001 1.00 15.00 H new ATOM 0 HG12 ILE A 41 6.019 7.806 8.052 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.635 9.239 8.984 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.709 9.790 7.323 1.00 15.00 H new ATOM 0 HG22 ILE A 41 7.065 10.996 6.183 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.665 11.105 7.913 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.833 7.593 9.125 1.00 15.00 H new ATOM 0 HD12 ILE A 41 3.269 9.065 8.301 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.659 7.610 7.354 1.00 15.00 H new ATOM 609 N PRO A 42 4.515 12.837 6.199 1.00 15.00 N ATOM 610 CA PRO A 42 4.825 14.106 5.521 1.00 15.00 C ATOM 611 C PRO A 42 6.317 14.287 5.242 1.00 15.00 C ATOM 612 O PRO A 42 6.931 15.244 5.714 1.00 15.00 O ATOM 613 CB PRO A 42 4.348 15.179 6.511 1.00 15.00 C ATOM 614 CG PRO A 42 3.404 14.478 7.421 1.00 15.00 C ATOM 615 CD PRO A 42 3.912 13.072 7.525 1.00 15.00 C ATOM 0 HA PRO A 42 4.344 14.154 4.544 1.00 15.00 H new ATOM 0 HB2 PRO A 42 5.185 15.605 7.064 1.00 15.00 H new ATOM 0 HB3 PRO A 42 3.857 16.003 5.993 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.374 14.957 8.400 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.389 14.500 7.025 1.00 15.00 H new ATOM 0 HD2 PRO A 42 4.644 12.966 8.326 1.00 15.00 H new ATOM 0 HD3 PRO A 42 3.107 12.367 7.733 1.00 15.00 H new ATOM 623 N GLN A 43 6.899 13.373 4.473 1.00 15.00 N ATOM 624 CA GLN A 43 8.315 13.454 4.145 1.00 15.00 C ATOM 625 C GLN A 43 8.602 12.895 2.753 1.00 15.00 C ATOM 626 O GLN A 43 9.315 13.514 1.963 1.00 15.00 O ATOM 627 CB GLN A 43 9.143 12.703 5.190 1.00 15.00 C ATOM 628 CG GLN A 43 9.953 13.616 6.097 1.00 15.00 C ATOM 629 CD GLN A 43 11.393 13.165 6.241 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.714 11.995 6.035 1.00 15.00 O ATOM 631 NE2 GLN A 43 12.272 14.096 6.597 1.00 15.00 N ATOM 0 H GLN A 43 6.414 12.572 4.068 1.00 15.00 H new ATOM 0 HA GLN A 43 8.596 14.507 4.149 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.476 12.096 5.802 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.820 12.017 4.680 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.932 14.630 5.698 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.487 13.651 7.082 1.00 15.00 H new ATOM 0 HE21 GLN A 43 11.963 15.055 6.758 1.00 15.00 H new ATOM 0 HE22 GLN A 43 13.256 13.852 6.709 1.00 15.00 H new ATOM 640 N GLY A 44 8.062 11.714 2.461 1.00 15.00 N ATOM 641 CA GLY A 44 8.300 11.096 1.166 1.00 15.00 C ATOM 642 C GLY A 44 7.312 11.511 0.092 1.00 15.00 C ATOM 643 O GLY A 44 6.285 12.129 0.371 1.00 15.00 O ATOM 0 H GLY A 44 7.468 11.177 3.093 1.00 15.00 H new ATOM 0 HA2 GLY A 44 9.308 11.348 0.835 1.00 15.00 H new ATOM 0 HA3 GLY A 44 8.263 10.013 1.280 1.00 15.00 H new ATOM 647 N ALA A 45 7.640 11.149 -1.144 1.00 15.00 N ATOM 648 CA ALA A 45 6.812 11.465 -2.307 1.00 15.00 C ATOM 649 C ALA A 45 5.391 10.920 -2.181 1.00 15.00 C ATOM 650 O ALA A 45 4.506 11.302 -2.946 1.00 15.00 O ATOM 651 CB ALA A 45 7.463 10.922 -3.568 1.00 15.00 C ATOM 0 H ALA A 45 8.487 10.628 -1.370 1.00 15.00 H new ATOM 0 HA ALA A 45 6.737 12.551 -2.363 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.841 11.161 -4.431 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.447 11.375 -3.694 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.569 9.840 -3.486 1.00 15.00 H new ATOM 657 N ALA A 46 5.171 10.026 -1.224 1.00 15.00 N ATOM 658 CA ALA A 46 3.853 9.442 -1.026 1.00 15.00 C ATOM 659 C ALA A 46 2.896 10.460 -0.425 1.00 15.00 C ATOM 660 O ALA A 46 1.849 10.762 -1.007 1.00 15.00 O ATOM 661 CB ALA A 46 3.950 8.222 -0.125 1.00 15.00 C ATOM 0 H ALA A 46 5.885 9.692 -0.577 1.00 15.00 H new ATOM 0 HA ALA A 46 3.465 9.136 -1.998 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.958 7.794 0.016 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.603 7.481 -0.585 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.359 8.515 0.842 1.00 15.00 H new ATOM 667 N GLU A 47 3.270 10.990 0.738 1.00 15.00 N ATOM 668 CA GLU A 47 2.459 11.990 1.422 1.00 15.00 C ATOM 669 C GLU A 47 2.231 13.200 0.517 1.00 15.00 C ATOM 670 O GLU A 47 1.129 13.745 0.453 1.00 15.00 O ATOM 671 CB GLU A 47 3.138 12.440 2.725 1.00 15.00 C ATOM 672 CG GLU A 47 4.384 13.271 2.476 1.00 15.00 C ATOM 673 CD GLU A 47 4.077 14.742 2.267 1.00 15.00 C ATOM 674 OE1 GLU A 47 3.085 15.230 2.849 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.829 15.406 1.523 1.00 15.00 O ATOM 0 H GLU A 47 4.131 10.742 1.225 1.00 15.00 H new ATOM 0 HA GLU A 47 1.497 11.538 1.664 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.431 13.020 3.317 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.403 11.562 3.315 1.00 15.00 H new ATOM 0 HG2 GLU A 47 5.063 13.163 3.322 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.904 12.885 1.599 1.00 15.00 H new ATOM 682 N SER A 48 3.294 13.617 -0.175 1.00 15.00 N ATOM 683 CA SER A 48 3.231 14.768 -1.070 1.00 15.00 C ATOM 684 C SER A 48 2.102 14.601 -2.072 1.00 15.00 C ATOM 685 O SER A 48 1.073 15.271 -1.979 1.00 15.00 O ATOM 686 CB SER A 48 4.563 14.944 -1.803 1.00 15.00 C ATOM 687 OG SER A 48 5.028 16.279 -1.703 1.00 15.00 O ATOM 0 H SER A 48 4.210 13.171 -0.130 1.00 15.00 H new ATOM 0 HA SER A 48 3.038 15.659 -0.473 1.00 15.00 H new ATOM 0 HB2 SER A 48 5.305 14.265 -1.383 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.442 14.675 -2.852 1.00 15.00 H new ATOM 0 HG SER A 48 5.881 16.365 -2.178 1.00 15.00 H new ATOM 693 N ASP A 49 2.285 13.688 -3.018 1.00 15.00 N ATOM 694 CA ASP A 49 1.259 13.427 -4.013 1.00 15.00 C ATOM 695 C ASP A 49 -0.023 13.008 -3.309 1.00 15.00 C ATOM 696 O ASP A 49 -1.120 13.428 -3.678 1.00 15.00 O ATOM 697 CB ASP A 49 1.714 12.334 -4.982 1.00 15.00 C ATOM 698 CG ASP A 49 2.147 12.895 -6.322 1.00 15.00 C ATOM 699 OD1 ASP A 49 3.102 13.699 -6.348 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.531 12.530 -7.345 1.00 15.00 O ATOM 0 H ASP A 49 3.128 13.122 -3.115 1.00 15.00 H new ATOM 0 HA ASP A 49 1.079 14.335 -4.589 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.541 11.780 -4.538 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.900 11.625 -5.134 1.00 15.00 H new ATOM 705 N GLY A 50 0.135 12.181 -2.281 1.00 15.00 N ATOM 706 CA GLY A 50 -1.001 11.716 -1.516 1.00 15.00 C ATOM 707 C GLY A 50 -1.709 10.570 -2.205 1.00 15.00 C ATOM 708 O GLY A 50 -2.938 10.513 -2.223 1.00 15.00 O ATOM 0 H GLY A 50 1.037 11.824 -1.965 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -0.668 11.397 -0.528 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.700 12.539 -1.367 1.00 15.00 H new ATOM 712 N ARG A 51 -0.934 9.660 -2.784 1.00 15.00 N ATOM 713 CA ARG A 51 -1.511 8.518 -3.489 1.00 15.00 C ATOM 714 C ARG A 51 -1.936 7.437 -2.506 1.00 15.00 C ATOM 715 O ARG A 51 -3.052 6.922 -2.576 1.00 15.00 O ATOM 716 CB ARG A 51 -0.519 7.945 -4.505 1.00 15.00 C ATOM 717 CG ARG A 51 -0.438 8.744 -5.795 1.00 15.00 C ATOM 718 CD ARG A 51 -1.496 8.301 -6.795 1.00 15.00 C ATOM 719 NE ARG A 51 -2.518 9.325 -6.999 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.328 9.363 -8.054 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.240 8.438 -9.001 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.230 10.329 -8.162 1.00 15.00 N ATOM 0 H ARG A 51 0.086 9.688 -2.781 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.393 8.868 -4.026 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.471 7.904 -4.050 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.804 6.920 -4.740 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.565 9.804 -5.576 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.552 8.626 -6.235 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.020 8.069 -7.748 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -1.967 7.384 -6.442 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.616 10.053 -6.292 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -2.549 7.692 -8.923 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -3.864 8.473 -9.807 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.303 11.042 -7.437 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.851 10.359 -8.970 1.00 15.00 H new ATOM 736 N ILE A 52 -1.043 7.104 -1.586 1.00 15.00 N ATOM 737 CA ILE A 52 -1.320 6.096 -0.582 1.00 15.00 C ATOM 738 C ILE A 52 -2.139 6.698 0.562 1.00 15.00 C ATOM 739 O ILE A 52 -2.204 7.918 0.708 1.00 15.00 O ATOM 740 CB ILE A 52 -0.004 5.502 -0.046 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.279 4.260 0.795 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.768 6.542 0.752 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.033 3.186 0.047 1.00 15.00 C ATOM 0 H ILE A 52 -0.115 7.522 -1.517 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.901 5.296 -1.041 1.00 15.00 H new ATOM 0 HB ILE A 52 0.611 5.205 -0.895 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.668 3.851 1.147 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -0.850 4.547 1.678 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.694 6.103 1.122 1.00 15.00 H new ATOM 0 HG22 ILE A 52 1.000 7.393 0.112 1.00 15.00 H new ATOM 0 HG23 ILE A 52 0.163 6.876 1.595 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.195 2.331 0.703 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -1.995 3.579 -0.282 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.453 2.872 -0.821 1.00 15.00 H new ATOM 755 N HIS A 53 -2.776 5.845 1.359 1.00 15.00 N ATOM 756 CA HIS A 53 -3.601 6.316 2.468 1.00 15.00 C ATOM 757 C HIS A 53 -3.579 5.357 3.639 1.00 15.00 C ATOM 758 O HIS A 53 -3.267 4.176 3.499 1.00 15.00 O ATOM 759 CB HIS A 53 -5.040 6.545 2.002 1.00 15.00 C ATOM 760 CG HIS A 53 -5.186 7.697 1.056 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.056 7.569 -0.311 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.453 9.004 1.287 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.235 8.748 -0.880 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.478 9.635 0.067 1.00 15.00 N ATOM 0 H HIS A 53 -2.738 4.831 1.259 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.178 7.261 2.808 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.405 5.639 1.518 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.672 6.718 2.873 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.616 9.464 2.250 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.190 8.951 -1.940 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.656 10.628 -0.083 1.00 15.00 H new ATOM 773 N LYS A 54 -3.896 5.908 4.802 1.00 15.00 N ATOM 774 CA LYS A 54 -3.905 5.169 6.052 1.00 15.00 C ATOM 775 C LYS A 54 -4.528 3.776 5.920 1.00 15.00 C ATOM 776 O LYS A 54 -5.613 3.616 5.360 1.00 15.00 O ATOM 777 CB LYS A 54 -4.653 5.969 7.122 1.00 15.00 C ATOM 778 CG LYS A 54 -3.746 6.555 8.189 1.00 15.00 C ATOM 779 CD LYS A 54 -4.506 6.830 9.477 1.00 15.00 C ATOM 780 CE LYS A 54 -4.618 5.580 10.334 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.976 4.974 10.257 1.00 15.00 N ATOM 0 H LYS A 54 -4.156 6.889 4.903 1.00 15.00 H new ATOM 0 HA LYS A 54 -2.864 5.026 6.343 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.203 6.778 6.641 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.390 5.322 7.599 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -2.926 5.866 8.389 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.302 7.481 7.822 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -3.999 7.614 10.040 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.503 7.201 9.240 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -3.876 4.850 10.010 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.390 5.829 11.370 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.186 4.478 11.147 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.682 5.722 10.103 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.010 4.298 9.468 1.00 15.00 H new ATOM 795 N GLY A 55 -3.829 2.777 6.460 1.00 15.00 N ATOM 796 CA GLY A 55 -4.311 1.405 6.422 1.00 15.00 C ATOM 797 C GLY A 55 -4.731 0.954 5.041 1.00 15.00 C ATOM 798 O GLY A 55 -5.617 0.111 4.903 1.00 15.00 O ATOM 0 H GLY A 55 -2.930 2.896 6.927 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.528 0.742 6.790 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.158 1.306 7.102 1.00 15.00 H new ATOM 802 N ASP A 56 -4.095 1.502 4.014 1.00 15.00 N ATOM 803 CA ASP A 56 -4.424 1.122 2.646 1.00 15.00 C ATOM 804 C ASP A 56 -4.055 -0.336 2.391 1.00 15.00 C ATOM 805 O ASP A 56 -2.935 -0.761 2.681 1.00 15.00 O ATOM 806 CB ASP A 56 -3.716 2.037 1.647 1.00 15.00 C ATOM 807 CG ASP A 56 -4.556 3.244 1.280 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.641 3.417 1.875 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.131 4.018 0.398 1.00 15.00 O ATOM 0 H ASP A 56 -3.358 2.202 4.099 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.500 1.233 2.510 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.769 2.371 2.071 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.480 1.473 0.745 1.00 15.00 H new ATOM 814 N ARG A 57 -5.005 -1.098 1.851 1.00 15.00 N ATOM 815 CA ARG A 57 -4.784 -2.510 1.557 1.00 15.00 C ATOM 816 C ARG A 57 -4.032 -2.679 0.242 1.00 15.00 C ATOM 817 O ARG A 57 -4.634 -2.662 -0.831 1.00 15.00 O ATOM 818 CB ARG A 57 -6.120 -3.253 1.483 1.00 15.00 C ATOM 819 CG ARG A 57 -6.909 -3.227 2.782 1.00 15.00 C ATOM 820 CD ARG A 57 -8.392 -3.001 2.528 1.00 15.00 C ATOM 821 NE ARG A 57 -9.181 -3.104 3.754 1.00 15.00 N ATOM 822 CZ ARG A 57 -9.759 -4.227 4.178 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.634 -5.352 3.484 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.461 -4.226 5.303 1.00 15.00 N ATOM 0 H ARG A 57 -5.936 -0.759 1.608 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.182 -2.931 2.362 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.727 -2.813 0.691 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -5.934 -4.290 1.203 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.769 -4.168 3.313 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -6.524 -2.437 3.427 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.538 -2.016 2.085 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.751 -3.732 1.804 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.296 -2.264 4.320 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.092 -5.361 2.620 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.080 -6.208 3.815 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -10.558 -3.366 5.843 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -10.904 -5.085 5.629 1.00 15.00 H new ATOM 838 N VAL A 58 -2.717 -2.846 0.327 1.00 15.00 N ATOM 839 CA VAL A 58 -1.900 -3.020 -0.867 1.00 15.00 C ATOM 840 C VAL A 58 -1.843 -4.491 -1.274 1.00 15.00 C ATOM 841 O VAL A 58 -1.311 -5.334 -0.545 1.00 15.00 O ATOM 842 CB VAL A 58 -0.471 -2.452 -0.675 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.511 -1.172 0.147 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.455 -3.473 -0.027 1.00 15.00 C ATOM 0 H VAL A 58 -2.197 -2.864 1.204 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.373 -2.454 -1.670 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.071 -2.222 -1.663 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.501 -0.788 0.271 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.121 -0.429 -0.367 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -0.942 -1.382 1.126 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.448 -3.040 0.092 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.062 -3.752 0.950 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.519 -4.359 -0.659 1.00 15.00 H new ATOM 854 N LEU A 59 -2.422 -4.794 -2.433 1.00 15.00 N ATOM 855 CA LEU A 59 -2.461 -6.163 -2.936 1.00 15.00 C ATOM 856 C LEU A 59 -1.508 -6.379 -4.111 1.00 15.00 C ATOM 857 O LEU A 59 -1.212 -7.518 -4.467 1.00 15.00 O ATOM 858 CB LEU A 59 -3.886 -6.528 -3.356 1.00 15.00 C ATOM 859 CG LEU A 59 -4.935 -6.445 -2.245 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.224 -7.123 -2.683 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.411 -7.074 -0.961 1.00 15.00 C ATOM 0 H LEU A 59 -2.871 -4.109 -3.041 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.134 -6.812 -2.124 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.188 -5.868 -4.169 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.882 -7.543 -3.754 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.145 -5.394 -2.048 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.961 -7.056 -1.882 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.611 -6.629 -3.574 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -6.026 -8.171 -2.907 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.173 -7.004 -0.184 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.171 -8.122 -1.141 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.514 -6.547 -0.637 1.00 15.00 H new ATOM 873 N ALA A 60 -1.046 -5.296 -4.730 1.00 15.00 N ATOM 874 CA ALA A 60 -0.150 -5.418 -5.877 1.00 15.00 C ATOM 875 C ALA A 60 0.843 -4.263 -5.968 1.00 15.00 C ATOM 876 O ALA A 60 0.536 -3.127 -5.609 1.00 15.00 O ATOM 877 CB ALA A 60 -0.964 -5.513 -7.159 1.00 15.00 C ATOM 0 H ALA A 60 -1.272 -4.338 -4.463 1.00 15.00 H new ATOM 0 HA ALA A 60 0.433 -6.329 -5.740 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.291 -5.604 -8.012 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.613 -6.388 -7.114 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.572 -4.616 -7.271 1.00 15.00 H new ATOM 883 N VAL A 61 2.030 -4.573 -6.479 1.00 15.00 N ATOM 884 CA VAL A 61 3.089 -3.587 -6.662 1.00 15.00 C ATOM 885 C VAL A 61 3.773 -3.832 -7.995 1.00 15.00 C ATOM 886 O VAL A 61 4.578 -4.754 -8.128 1.00 15.00 O ATOM 887 CB VAL A 61 4.138 -3.650 -5.537 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.109 -2.485 -5.647 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.461 -3.665 -4.178 1.00 15.00 C ATOM 0 H VAL A 61 2.285 -5.514 -6.778 1.00 15.00 H new ATOM 0 HA VAL A 61 2.632 -2.598 -6.637 1.00 15.00 H new ATOM 0 HB VAL A 61 4.705 -4.575 -5.644 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.843 -2.546 -4.844 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.620 -2.527 -6.609 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.561 -1.546 -5.567 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.218 -3.710 -3.395 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.867 -2.759 -4.057 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.811 -4.537 -4.105 1.00 15.00 H new ATOM 899 N ASN A 62 3.420 -3.032 -8.993 1.00 15.00 N ATOM 900 CA ASN A 62 3.976 -3.200 -10.326 1.00 15.00 C ATOM 901 C ASN A 62 3.525 -4.540 -10.908 1.00 15.00 C ATOM 902 O ASN A 62 4.089 -5.027 -11.889 1.00 15.00 O ATOM 903 CB ASN A 62 5.505 -3.118 -10.291 1.00 15.00 C ATOM 904 CG ASN A 62 6.012 -1.705 -10.507 1.00 15.00 C ATOM 905 OD1 ASN A 62 6.850 -1.460 -11.374 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.503 -0.766 -9.716 1.00 15.00 N ATOM 0 H ASN A 62 2.754 -2.264 -8.904 1.00 15.00 H new ATOM 0 HA ASN A 62 3.610 -2.394 -10.963 1.00 15.00 H new ATOM 0 HB2 ASN A 62 5.864 -3.487 -9.331 1.00 15.00 H new ATOM 0 HB3 ASN A 62 5.919 -3.771 -11.059 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.805 0.203 -9.815 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.810 -1.014 -9.010 1.00 15.00 H new ATOM 913 N GLY A 63 2.494 -5.128 -10.293 1.00 15.00 N ATOM 914 CA GLY A 63 1.966 -6.399 -10.752 1.00 15.00 C ATOM 915 C GLY A 63 2.313 -7.563 -9.840 1.00 15.00 C ATOM 916 O GLY A 63 1.994 -8.710 -10.150 1.00 15.00 O ATOM 0 H GLY A 63 2.016 -4.739 -9.480 1.00 15.00 H new ATOM 0 HA2 GLY A 63 0.882 -6.324 -10.836 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.350 -6.604 -11.751 1.00 15.00 H new ATOM 920 N VAL A 64 2.958 -7.278 -8.711 1.00 15.00 N ATOM 921 CA VAL A 64 3.327 -8.328 -7.768 1.00 15.00 C ATOM 922 C VAL A 64 2.262 -8.495 -6.683 1.00 15.00 C ATOM 923 O VAL A 64 2.111 -7.643 -5.808 1.00 15.00 O ATOM 924 CB VAL A 64 4.705 -8.054 -7.121 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.617 -6.968 -6.060 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.282 -9.334 -6.536 1.00 15.00 C ATOM 0 H VAL A 64 3.233 -6.337 -8.430 1.00 15.00 H new ATOM 0 HA VAL A 64 3.396 -9.256 -8.335 1.00 15.00 H new ATOM 0 HB VAL A 64 5.375 -7.696 -7.902 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.603 -6.802 -5.627 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.260 -6.044 -6.514 1.00 15.00 H new ATOM 0 HG13 VAL A 64 3.925 -7.279 -5.278 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.252 -9.123 -6.085 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.605 -9.724 -5.776 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.403 -10.073 -7.328 1.00 15.00 H new ATOM 936 N SER A 65 1.522 -9.597 -6.749 1.00 15.00 N ATOM 937 CA SER A 65 0.470 -9.871 -5.775 1.00 15.00 C ATOM 938 C SER A 65 1.028 -9.876 -4.354 1.00 15.00 C ATOM 939 O SER A 65 2.107 -10.410 -4.102 1.00 15.00 O ATOM 940 CB SER A 65 -0.197 -11.213 -6.078 1.00 15.00 C ATOM 941 OG SER A 65 -0.933 -11.156 -7.287 1.00 15.00 O ATOM 0 H SER A 65 1.631 -10.315 -7.466 1.00 15.00 H new ATOM 0 HA SER A 65 -0.274 -9.078 -5.850 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.562 -11.992 -6.147 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.860 -11.486 -5.257 1.00 15.00 H new ATOM 0 HG SER A 65 -1.348 -12.027 -7.459 1.00 15.00 H new ATOM 947 N LEU A 66 0.283 -9.275 -3.432 1.00 15.00 N ATOM 948 CA LEU A 66 0.698 -9.205 -2.037 1.00 15.00 C ATOM 949 C LEU A 66 0.030 -10.302 -1.209 1.00 15.00 C ATOM 950 O LEU A 66 0.521 -10.671 -0.143 1.00 15.00 O ATOM 951 CB LEU A 66 0.362 -7.830 -1.454 1.00 15.00 C ATOM 952 CG LEU A 66 1.534 -7.103 -0.791 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.924 -7.793 0.507 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.723 -7.032 -1.739 1.00 15.00 C ATOM 0 H LEU A 66 -0.613 -8.829 -3.627 1.00 15.00 H new ATOM 0 HA LEU A 66 1.777 -9.357 -1.997 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.032 -7.200 -2.252 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.434 -7.949 -0.719 1.00 15.00 H new ATOM 0 HG LEU A 66 1.221 -6.085 -0.557 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.759 -7.262 0.965 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.074 -7.790 1.190 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.219 -8.821 0.298 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.547 -6.512 -1.251 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.038 -8.041 -2.004 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.437 -6.492 -2.642 1.00 15.00 H new ATOM 966 N GLU A 67 -1.093 -10.817 -1.706 1.00 15.00 N ATOM 967 CA GLU A 67 -1.830 -11.870 -1.010 1.00 15.00 C ATOM 968 C GLU A 67 -0.893 -12.975 -0.530 1.00 15.00 C ATOM 969 O GLU A 67 -0.403 -13.777 -1.324 1.00 15.00 O ATOM 970 CB GLU A 67 -2.902 -12.460 -1.928 1.00 15.00 C ATOM 971 CG GLU A 67 -4.011 -11.481 -2.278 1.00 15.00 C ATOM 972 CD GLU A 67 -3.929 -10.995 -3.712 1.00 15.00 C ATOM 973 OE1 GLU A 67 -3.762 -11.839 -4.617 1.00 15.00 O ATOM 974 OE2 GLU A 67 -4.032 -9.769 -3.930 1.00 15.00 O ATOM 0 H GLU A 67 -1.512 -10.522 -2.588 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.308 -11.424 -0.138 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.430 -12.805 -2.848 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -3.340 -13.334 -1.446 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.977 -11.959 -2.115 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.961 -10.625 -1.605 1.00 15.00 H new ATOM 981 N GLY A 68 -0.648 -13.007 0.776 1.00 15.00 N ATOM 982 CA GLY A 68 0.229 -14.014 1.343 1.00 15.00 C ATOM 983 C GLY A 68 1.592 -13.457 1.706 1.00 15.00 C ATOM 984 O GLY A 68 2.610 -13.881 1.159 1.00 15.00 O ATOM 0 H GLY A 68 -1.042 -12.353 1.452 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.236 -14.437 2.233 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.351 -14.829 0.629 1.00 15.00 H new ATOM 988 N ALA A 69 1.611 -12.503 2.631 1.00 15.00 N ATOM 989 CA ALA A 69 2.857 -11.885 3.067 1.00 15.00 C ATOM 990 C ALA A 69 2.621 -10.947 4.247 1.00 15.00 C ATOM 991 O ALA A 69 1.488 -10.552 4.523 1.00 15.00 O ATOM 992 CB ALA A 69 3.505 -11.134 1.913 1.00 15.00 C ATOM 0 H ALA A 69 0.777 -12.141 3.093 1.00 15.00 H new ATOM 0 HA ALA A 69 3.532 -12.676 3.395 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.435 -10.677 2.252 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.718 -11.829 1.100 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.828 -10.357 1.558 1.00 15.00 H new ATOM 998 N THR A 70 3.698 -10.595 4.941 1.00 15.00 N ATOM 999 CA THR A 70 3.610 -9.704 6.093 1.00 15.00 C ATOM 1000 C THR A 70 3.818 -8.251 5.677 1.00 15.00 C ATOM 1001 O THR A 70 3.881 -7.935 4.489 1.00 15.00 O ATOM 1002 CB THR A 70 4.646 -10.089 7.155 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.895 -9.471 6.890 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.881 -11.582 7.257 1.00 15.00 C ATOM 0 H THR A 70 4.643 -10.913 4.726 1.00 15.00 H new ATOM 0 HA THR A 70 2.611 -9.808 6.516 1.00 15.00 H new ATOM 0 HB THR A 70 4.228 -9.742 8.100 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.541 -9.729 7.581 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.625 -11.781 8.028 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.947 -12.080 7.517 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.240 -11.960 6.300 1.00 15.00 H new ATOM 1012 N HIS A 71 3.923 -7.375 6.668 1.00 15.00 N ATOM 1013 CA HIS A 71 4.125 -5.953 6.424 1.00 15.00 C ATOM 1014 C HIS A 71 5.446 -5.719 5.699 1.00 15.00 C ATOM 1015 O HIS A 71 5.476 -5.176 4.594 1.00 15.00 O ATOM 1016 CB HIS A 71 4.075 -5.191 7.759 1.00 15.00 C ATOM 1017 CG HIS A 71 5.144 -4.156 7.945 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.922 -4.079 9.082 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.556 -3.148 7.142 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.763 -3.067 8.970 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.562 -2.487 7.803 1.00 15.00 N ATOM 0 H HIS A 71 3.871 -7.627 7.655 1.00 15.00 H new ATOM 0 HA HIS A 71 3.328 -5.578 5.782 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.103 -4.706 7.845 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.145 -5.912 8.573 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.858 -4.706 9.884 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.166 -2.908 6.164 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.491 -2.766 9.708 1.00 15.00 H new ATOM 1030 N LYS A 72 6.532 -6.141 6.330 1.00 15.00 N ATOM 1031 CA LYS A 72 7.863 -5.991 5.752 1.00 15.00 C ATOM 1032 C LYS A 72 7.910 -6.568 4.343 1.00 15.00 C ATOM 1033 O LYS A 72 8.605 -6.046 3.475 1.00 15.00 O ATOM 1034 CB LYS A 72 8.896 -6.683 6.639 1.00 15.00 C ATOM 1035 CG LYS A 72 10.333 -6.334 6.290 1.00 15.00 C ATOM 1036 CD LYS A 72 11.318 -7.068 7.185 1.00 15.00 C ATOM 1037 CE LYS A 72 11.372 -8.552 6.856 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.071 -8.810 5.567 1.00 15.00 N ATOM 0 H LYS A 72 6.519 -6.591 7.245 1.00 15.00 H new ATOM 0 HA LYS A 72 8.096 -4.928 5.693 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.708 -6.413 7.678 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.764 -7.762 6.561 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.527 -6.588 5.248 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.482 -5.259 6.389 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.310 -6.632 7.069 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.031 -6.936 8.228 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.883 -9.083 7.659 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.358 -8.950 6.805 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.282 -9.825 5.484 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.461 -8.517 4.777 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.958 -8.268 5.539 1.00 15.00 H new ATOM 1052 N GLN A 73 7.156 -7.640 4.113 1.00 15.00 N ATOM 1053 CA GLN A 73 7.118 -8.261 2.795 1.00 15.00 C ATOM 1054 C GLN A 73 6.637 -7.249 1.771 1.00 15.00 C ATOM 1055 O GLN A 73 7.278 -7.032 0.743 1.00 15.00 O ATOM 1056 CB GLN A 73 6.199 -9.480 2.799 1.00 15.00 C ATOM 1057 CG GLN A 73 6.814 -10.691 3.471 1.00 15.00 C ATOM 1058 CD GLN A 73 6.463 -11.991 2.774 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.751 -12.831 3.324 1.00 15.00 O ATOM 1060 NE2 GLN A 73 6.964 -12.164 1.556 1.00 15.00 N ATOM 0 H GLN A 73 6.570 -8.092 4.815 1.00 15.00 H new ATOM 0 HA GLN A 73 8.123 -8.592 2.533 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.269 -9.224 3.307 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.941 -9.735 1.771 1.00 15.00 H new ATOM 0 HG2 GLN A 73 7.898 -10.577 3.493 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.477 -10.737 4.507 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.550 -11.441 1.138 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.763 -13.020 1.039 1.00 15.00 H new ATOM 1069 N ALA A 74 5.517 -6.610 2.077 1.00 15.00 N ATOM 1070 CA ALA A 74 4.965 -5.592 1.197 1.00 15.00 C ATOM 1071 C ALA A 74 5.902 -4.396 1.147 1.00 15.00 C ATOM 1072 O ALA A 74 6.213 -3.883 0.075 1.00 15.00 O ATOM 1073 CB ALA A 74 3.589 -5.164 1.658 1.00 15.00 C ATOM 0 H ALA A 74 4.975 -6.778 2.925 1.00 15.00 H new ATOM 0 HA ALA A 74 4.866 -6.014 0.197 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.200 -4.402 0.983 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.921 -6.025 1.658 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.654 -4.756 2.667 1.00 15.00 H new ATOM 1079 N VAL A 75 6.375 -3.977 2.322 1.00 15.00 N ATOM 1080 CA VAL A 75 7.314 -2.863 2.420 1.00 15.00 C ATOM 1081 C VAL A 75 8.364 -3.005 1.332 1.00 15.00 C ATOM 1082 O VAL A 75 8.751 -2.034 0.683 1.00 15.00 O ATOM 1083 CB VAL A 75 7.980 -2.838 3.818 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.470 -3.151 3.749 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.750 -1.509 4.505 1.00 15.00 C ATOM 0 H VAL A 75 6.122 -4.394 3.218 1.00 15.00 H new ATOM 0 HA VAL A 75 6.779 -1.923 2.287 1.00 15.00 H new ATOM 0 HB VAL A 75 7.507 -3.623 4.409 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.895 -3.122 4.752 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.614 -4.144 3.323 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.969 -2.411 3.123 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.228 -1.518 5.485 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.177 -0.708 3.901 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.680 -1.342 4.625 1.00 15.00 H new ATOM 1095 N GLU A 76 8.791 -4.242 1.128 1.00 15.00 N ATOM 1096 CA GLU A 76 9.766 -4.551 0.103 1.00 15.00 C ATOM 1097 C GLU A 76 9.163 -4.321 -1.280 1.00 15.00 C ATOM 1098 O GLU A 76 9.797 -3.725 -2.145 1.00 15.00 O ATOM 1099 CB GLU A 76 10.243 -5.998 0.242 1.00 15.00 C ATOM 1100 CG GLU A 76 10.829 -6.316 1.609 1.00 15.00 C ATOM 1101 CD GLU A 76 10.578 -7.750 2.032 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.782 -8.659 1.200 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.176 -7.964 3.195 1.00 15.00 O ATOM 0 H GLU A 76 8.473 -5.050 1.664 1.00 15.00 H new ATOM 0 HA GLU A 76 10.625 -3.891 0.225 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.405 -6.668 0.050 1.00 15.00 H new ATOM 0 HB3 GLU A 76 10.994 -6.199 -0.522 1.00 15.00 H new ATOM 0 HG2 GLU A 76 11.903 -6.129 1.592 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.399 -5.642 2.350 1.00 15.00 H new ATOM 1110 N THR A 77 7.929 -4.791 -1.483 1.00 15.00 N ATOM 1111 CA THR A 77 7.256 -4.617 -2.768 1.00 15.00 C ATOM 1112 C THR A 77 7.004 -3.142 -3.067 1.00 15.00 C ATOM 1113 O THR A 77 7.385 -2.644 -4.126 1.00 15.00 O ATOM 1114 CB THR A 77 5.939 -5.391 -2.808 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.112 -5.041 -1.715 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.126 -6.891 -2.785 1.00 15.00 C ATOM 0 H THR A 77 7.383 -5.289 -0.781 1.00 15.00 H new ATOM 0 HA THR A 77 7.918 -5.016 -3.537 1.00 15.00 H new ATOM 0 HB THR A 77 5.473 -5.114 -3.754 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.577 -4.392 -1.147 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.152 -7.380 -2.815 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.713 -7.198 -3.651 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.648 -7.179 -1.872 1.00 15.00 H new ATOM 1124 N LEU A 78 6.361 -2.443 -2.130 1.00 15.00 N ATOM 1125 CA LEU A 78 6.068 -1.021 -2.311 1.00 15.00 C ATOM 1126 C LEU A 78 7.344 -0.267 -2.651 1.00 15.00 C ATOM 1127 O LEU A 78 7.392 0.509 -3.605 1.00 15.00 O ATOM 1128 CB LEU A 78 5.446 -0.420 -1.045 1.00 15.00 C ATOM 1129 CG LEU A 78 4.465 -1.321 -0.291 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.787 -0.548 0.829 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.430 -1.903 -1.243 1.00 15.00 C ATOM 0 H LEU A 78 6.036 -2.834 -1.246 1.00 15.00 H new ATOM 0 HA LEU A 78 5.354 -0.926 -3.129 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.251 -0.142 -0.365 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.928 0.499 -1.319 1.00 15.00 H new ATOM 0 HG LEU A 78 5.025 -2.146 0.149 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.093 -1.203 1.355 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.540 -0.183 1.527 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.241 0.297 0.409 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.742 -2.540 -0.687 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.873 -1.093 -1.715 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.932 -2.493 -2.010 1.00 15.00 H new ATOM 1143 N ARG A 79 8.376 -0.516 -1.861 1.00 15.00 N ATOM 1144 CA ARG A 79 9.668 0.116 -2.060 1.00 15.00 C ATOM 1145 C ARG A 79 10.323 -0.389 -3.344 1.00 15.00 C ATOM 1146 O ARG A 79 10.627 0.390 -4.247 1.00 15.00 O ATOM 1147 CB ARG A 79 10.566 -0.165 -0.854 1.00 15.00 C ATOM 1148 CG ARG A 79 11.532 0.964 -0.534 1.00 15.00 C ATOM 1149 CD ARG A 79 12.896 0.434 -0.121 1.00 15.00 C ATOM 1150 NE ARG A 79 12.965 0.158 1.313 1.00 15.00 N ATOM 1151 CZ ARG A 79 12.762 -1.043 1.855 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.474 -2.089 1.090 1.00 15.00 N ATOM 1153 NH2 ARG A 79 12.847 -1.197 3.169 1.00 15.00 N ATOM 0 H ARG A 79 8.342 -1.158 -1.069 1.00 15.00 H new ATOM 0 HA ARG A 79 9.525 1.192 -2.156 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.940 -0.353 0.018 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.135 -1.076 -1.040 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.640 1.609 -1.406 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.122 1.578 0.268 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.114 -0.478 -0.677 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.663 1.161 -0.388 1.00 15.00 H new ATOM 0 HE ARG A 79 13.182 0.934 1.939 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.406 -1.978 0.078 1.00 15.00 H new ATOM 0 HH12 ARG A 79 12.320 -3.004 1.514 1.00 15.00 H new ATOM 0 HH21 ARG A 79 13.067 -0.398 3.763 1.00 15.00 H new ATOM 0 HH22 ARG A 79 12.692 -2.115 3.586 1.00 15.00 H new ATOM 1167 N ASN A 80 10.538 -1.700 -3.411 1.00 15.00 N ATOM 1168 CA ASN A 80 11.155 -2.330 -4.577 1.00 15.00 C ATOM 1169 C ASN A 80 10.270 -2.223 -5.819 1.00 15.00 C ATOM 1170 O ASN A 80 9.836 -3.236 -6.367 1.00 15.00 O ATOM 1171 CB ASN A 80 11.452 -3.803 -4.286 1.00 15.00 C ATOM 1172 CG ASN A 80 12.341 -3.986 -3.071 1.00 15.00 C ATOM 1173 OD1 ASN A 80 12.267 -3.218 -2.112 1.00 15.00 O ATOM 1174 ND2 ASN A 80 13.188 -5.008 -3.107 1.00 15.00 N ATOM 0 H ASN A 80 10.292 -2.352 -2.666 1.00 15.00 H new ATOM 0 HA ASN A 80 12.085 -1.798 -4.779 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.514 -4.336 -4.130 1.00 15.00 H new ATOM 0 HB3 ASN A 80 11.933 -4.252 -5.155 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.811 -5.182 -2.319 1.00 15.00 H new ATOM 0 HD22 ASN A 80 13.215 -5.619 -3.923 1.00 15.00 H new ATOM 1181 N THR A 81 10.012 -1.001 -6.270 1.00 15.00 N ATOM 1182 CA THR A 81 9.188 -0.793 -7.456 1.00 15.00 C ATOM 1183 C THR A 81 10.064 -0.732 -8.706 1.00 15.00 C ATOM 1184 O THR A 81 10.062 -1.653 -9.522 1.00 15.00 O ATOM 1185 CB THR A 81 8.358 0.486 -7.320 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.788 1.248 -6.206 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.877 0.221 -7.149 1.00 15.00 C ATOM 0 H THR A 81 10.358 -0.145 -5.837 1.00 15.00 H new ATOM 0 HA THR A 81 8.503 -1.635 -7.552 1.00 15.00 H new ATOM 0 HB THR A 81 8.510 1.030 -8.252 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.300 0.962 -5.406 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.346 1.169 -7.058 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.502 -0.323 -8.016 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.715 -0.373 -6.250 1.00 15.00 H new ATOM 1195 N GLY A 82 10.821 0.353 -8.842 1.00 15.00 N ATOM 1196 CA GLY A 82 11.699 0.510 -9.980 1.00 15.00 C ATOM 1197 C GLY A 82 11.411 1.765 -10.776 1.00 15.00 C ATOM 1198 O GLY A 82 11.675 2.878 -10.321 1.00 15.00 O ATOM 0 H GLY A 82 10.839 1.128 -8.179 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.733 0.534 -9.635 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.600 -0.358 -10.631 1.00 15.00 H new ATOM 1202 N GLN A 83 10.879 1.576 -11.972 1.00 15.00 N ATOM 1203 CA GLN A 83 10.557 2.692 -12.861 1.00 15.00 C ATOM 1204 C GLN A 83 9.453 3.570 -12.277 1.00 15.00 C ATOM 1205 O GLN A 83 9.717 4.648 -11.750 1.00 15.00 O ATOM 1206 CB GLN A 83 10.149 2.192 -14.255 1.00 15.00 C ATOM 1207 CG GLN A 83 10.736 0.840 -14.628 1.00 15.00 C ATOM 1208 CD GLN A 83 9.772 -0.300 -14.364 1.00 15.00 C ATOM 1209 OE1 GLN A 83 8.762 -0.128 -13.681 1.00 15.00 O ATOM 1210 NE2 GLN A 83 10.079 -1.473 -14.906 1.00 15.00 N ATOM 0 H GLN A 83 10.658 0.657 -12.356 1.00 15.00 H new ATOM 0 HA GLN A 83 11.460 3.295 -12.958 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.062 2.129 -14.302 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.459 2.927 -14.998 1.00 15.00 H new ATOM 0 HG2 GLN A 83 11.010 0.844 -15.683 1.00 15.00 H new ATOM 0 HG3 GLN A 83 11.653 0.676 -14.062 1.00 15.00 H new ATOM 0 HE21 GLN A 83 10.927 -1.570 -15.465 1.00 15.00 H new ATOM 0 HE22 GLN A 83 9.467 -2.277 -14.763 1.00 15.00 H new ATOM 1219 N VAL A 84 8.214 3.103 -12.384 1.00 15.00 N ATOM 1220 CA VAL A 84 7.064 3.841 -11.875 1.00 15.00 C ATOM 1221 C VAL A 84 6.468 3.138 -10.658 1.00 15.00 C ATOM 1222 O VAL A 84 6.672 1.941 -10.456 1.00 15.00 O ATOM 1223 CB VAL A 84 5.983 4.003 -12.969 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.675 4.521 -12.387 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.482 4.934 -14.063 1.00 15.00 C ATOM 0 H VAL A 84 7.980 2.212 -12.821 1.00 15.00 H new ATOM 0 HA VAL A 84 7.409 4.831 -11.577 1.00 15.00 H new ATOM 0 HB VAL A 84 5.788 3.020 -13.398 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.938 4.623 -13.183 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.306 3.819 -11.639 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.843 5.492 -11.922 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.713 5.041 -14.828 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.707 5.911 -13.635 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.384 4.518 -14.511 1.00 15.00 H new ATOM 1235 N VAL A 85 5.723 3.885 -9.856 1.00 15.00 N ATOM 1236 CA VAL A 85 5.094 3.331 -8.669 1.00 15.00 C ATOM 1237 C VAL A 85 3.635 2.981 -8.953 1.00 15.00 C ATOM 1238 O VAL A 85 2.723 3.730 -8.604 1.00 15.00 O ATOM 1239 CB VAL A 85 5.186 4.322 -7.486 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.198 3.977 -6.383 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.606 4.367 -6.943 1.00 15.00 C ATOM 0 H VAL A 85 5.540 4.877 -10.007 1.00 15.00 H new ATOM 0 HA VAL A 85 5.626 2.420 -8.396 1.00 15.00 H new ATOM 0 HB VAL A 85 4.921 5.311 -7.860 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.294 4.697 -5.570 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.183 4.011 -6.780 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.407 2.975 -6.007 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.655 5.069 -6.111 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.895 3.374 -6.598 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.287 4.690 -7.731 1.00 15.00 H new ATOM 1251 N HIS A 86 3.428 1.833 -9.591 1.00 15.00 N ATOM 1252 CA HIS A 86 2.085 1.371 -9.926 1.00 15.00 C ATOM 1253 C HIS A 86 1.620 0.319 -8.927 1.00 15.00 C ATOM 1254 O HIS A 86 1.756 -0.882 -9.163 1.00 15.00 O ATOM 1255 CB HIS A 86 2.058 0.794 -11.343 1.00 15.00 C ATOM 1256 CG HIS A 86 0.685 0.724 -11.936 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.328 1.597 -11.597 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.158 -0.122 -12.853 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.417 1.291 -12.279 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.149 0.252 -13.048 1.00 15.00 N ATOM 0 H HIS A 86 4.175 1.204 -9.887 1.00 15.00 H new ATOM 0 HA HIS A 86 1.407 2.223 -9.880 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.692 1.404 -11.987 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.489 -0.207 -11.327 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.670 -0.939 -13.340 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.366 1.804 -12.218 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.806 -0.200 -13.684 1.00 15.00 H new ATOM 1269 N LEU A 87 1.083 0.780 -7.804 1.00 15.00 N ATOM 1270 CA LEU A 87 0.610 -0.115 -6.757 1.00 15.00 C ATOM 1271 C LEU A 87 -0.906 -0.265 -6.788 1.00 15.00 C ATOM 1272 O LEU A 87 -1.637 0.700 -6.581 1.00 15.00 O ATOM 1273 CB LEU A 87 1.046 0.410 -5.388 1.00 15.00 C ATOM 1274 CG LEU A 87 1.984 -0.511 -4.616 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.148 0.275 -4.026 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.219 -1.243 -3.525 1.00 15.00 C ATOM 0 H LEU A 87 0.964 1.771 -7.595 1.00 15.00 H new ATOM 0 HA LEU A 87 1.050 -1.096 -6.935 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.537 1.373 -5.524 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.157 0.588 -4.783 1.00 15.00 H new ATOM 0 HG LEU A 87 2.393 -1.248 -5.307 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.804 -0.402 -3.479 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.708 0.754 -4.829 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.765 1.037 -3.346 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.899 -1.898 -2.980 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.784 -0.518 -2.837 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.424 -1.838 -3.975 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.372 -1.485 -7.028 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.802 -1.759 -7.062 1.00 15.00 C ATOM 1290 C LEU A 88 -3.274 -2.209 -5.686 1.00 15.00 C ATOM 1291 O LEU A 88 -3.082 -3.361 -5.296 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.114 -2.827 -8.112 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.273 -2.302 -9.542 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.219 -1.247 -9.849 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.190 -3.447 -10.540 1.00 15.00 C ATOM 0 H LEU A 88 -0.781 -2.298 -7.202 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.332 -0.846 -7.335 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.317 -3.570 -8.100 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.032 -3.340 -7.825 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.255 -1.837 -9.630 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.350 -0.888 -10.870 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.325 -0.414 -9.154 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.226 -1.683 -9.743 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.305 -3.057 -11.551 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.222 -3.940 -10.449 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.984 -4.166 -10.336 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.872 -1.284 -4.947 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.351 -1.572 -3.601 1.00 15.00 C ATOM 1309 C LEU A 89 -5.863 -1.740 -3.567 1.00 15.00 C ATOM 1310 O LEU A 89 -6.508 -1.932 -4.598 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.947 -0.451 -2.639 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.862 0.485 -3.151 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.771 1.721 -2.276 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.534 -0.239 -3.196 1.00 15.00 C ATOM 0 H LEU A 89 -4.037 -0.326 -5.257 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.892 -2.510 -3.288 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.832 0.140 -2.403 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.606 -0.900 -1.706 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.119 0.804 -4.161 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -1.990 2.379 -2.656 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.726 2.246 -2.288 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.531 1.427 -1.254 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.763 0.438 -3.564 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.271 -0.579 -2.194 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.610 -1.098 -3.863 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.416 -1.649 -2.364 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.851 -1.771 -2.161 1.00 15.00 C ATOM 1328 C GLU A 90 -8.324 -0.743 -1.137 1.00 15.00 C ATOM 1329 O GLU A 90 -7.585 -0.381 -0.221 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.207 -3.196 -1.716 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.372 -3.278 -0.739 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.697 -4.703 -0.337 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.769 -5.428 0.080 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.879 -5.094 -0.439 1.00 15.00 O ATOM 0 H GLU A 90 -5.885 -1.490 -1.508 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.362 -1.575 -3.104 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.446 -3.790 -2.598 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.330 -3.649 -1.255 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.135 -2.698 0.153 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.253 -2.822 -1.191 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.553 -0.273 -1.301 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.117 0.718 -0.395 1.00 15.00 C ATOM 1343 C LYS A 91 -10.099 0.219 1.046 1.00 15.00 C ATOM 1344 O LYS A 91 -10.791 -0.739 1.393 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.543 1.062 -0.823 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.073 2.348 -0.209 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.127 3.515 -0.449 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.395 3.911 0.824 1.00 15.00 C ATOM 1349 NZ LYS A 91 -8.963 4.226 0.567 1.00 15.00 N ATOM 0 H LYS A 91 -10.179 -0.562 -2.053 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.503 1.617 -0.444 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.576 1.148 -1.909 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.204 0.240 -0.548 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.050 2.578 -0.633 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.215 2.209 0.863 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.403 3.245 -1.217 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.689 4.369 -0.827 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.883 4.778 1.268 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.464 3.100 1.549 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -8.391 3.933 1.385 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -8.642 3.716 -0.281 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -8.854 5.249 0.417 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.296 0.874 1.879 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.192 0.485 3.274 1.00 15.00 C ATOM 1365 C GLY A 92 -10.435 0.826 4.071 1.00 15.00 C ATOM 1366 O GLY A 92 -10.525 1.900 4.664 1.00 15.00 O ATOM 0 H GLY A 92 -8.715 1.668 1.612 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.009 -0.588 3.335 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.331 0.981 3.722 1.00 15.00 H new ATOM 1370 N GLN A 93 -11.394 -0.094 4.089 1.00 15.00 N ATOM 1371 CA GLN A 93 -12.637 0.111 4.823 1.00 15.00 C ATOM 1372 C GLN A 93 -12.483 -0.321 6.278 1.00 15.00 C ATOM 1373 O GLN A 93 -11.852 -1.337 6.570 1.00 15.00 O ATOM 1374 CB GLN A 93 -13.778 -0.667 4.165 1.00 15.00 C ATOM 1375 CG GLN A 93 -13.529 -2.165 4.090 1.00 15.00 C ATOM 1376 CD GLN A 93 -14.746 -2.979 4.484 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -14.907 -3.353 5.646 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -15.610 -3.260 3.516 1.00 15.00 N ATOM 0 H GLN A 93 -11.334 -0.989 3.603 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.874 1.175 4.800 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -14.698 -0.487 4.722 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -13.935 -0.282 3.157 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -13.232 -2.430 3.075 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -12.696 -2.424 4.743 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -15.437 -2.930 2.566 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -16.447 -3.806 3.722 1.00 15.00 H new ATOM 1387 N SER A 94 -13.063 0.456 7.187 1.00 15.00 N ATOM 1388 CA SER A 94 -12.988 0.151 8.611 1.00 15.00 C ATOM 1389 C SER A 94 -13.612 -1.212 8.910 1.00 15.00 C ATOM 1390 O SER A 94 -14.681 -1.538 8.394 1.00 15.00 O ATOM 1391 CB SER A 94 -13.694 1.236 9.426 1.00 15.00 C ATOM 1392 OG SER A 94 -14.747 1.827 8.684 1.00 15.00 O ATOM 0 H SER A 94 -13.589 1.300 6.963 1.00 15.00 H new ATOM 0 HA SER A 94 -11.936 0.120 8.894 1.00 15.00 H new ATOM 0 HB2 SER A 94 -14.090 0.805 10.345 1.00 15.00 H new ATOM 0 HB3 SER A 94 -12.975 2.002 9.717 1.00 15.00 H new ATOM 0 HG SER A 94 -15.183 2.516 9.227 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.952 -2.030 9.750 1.00 15.00 N ATOM 1399 CA PRO A 95 -13.454 -3.361 10.110 1.00 15.00 C ATOM 1400 C PRO A 95 -14.884 -3.316 10.639 1.00 15.00 C ATOM 1401 O PRO A 95 -15.133 -2.831 11.743 1.00 15.00 O ATOM 1402 CB PRO A 95 -12.494 -3.823 11.209 1.00 15.00 C ATOM 1403 CG PRO A 95 -11.240 -3.057 10.964 1.00 15.00 C ATOM 1404 CD PRO A 95 -11.670 -1.726 10.413 1.00 15.00 C ATOM 0 HA PRO A 95 -13.487 -4.028 9.249 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -12.897 -3.615 12.200 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -12.318 -4.897 11.155 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -10.672 -2.933 11.886 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -10.594 -3.581 10.260 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -11.792 -0.984 11.202 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.939 -1.327 9.710 1.00 15.00 H new ATOM 1412 N THR A 96 -15.820 -3.823 9.844 1.00 15.00 N ATOM 1413 CA THR A 96 -17.225 -3.841 10.233 1.00 15.00 C ATOM 1414 C THR A 96 -17.617 -5.203 10.798 1.00 15.00 C ATOM 1415 O THR A 96 -18.639 -5.275 11.512 1.00 15.00 O ATOM 1416 CB THR A 96 -18.113 -3.498 9.035 1.00 15.00 C ATOM 1417 OG1 THR A 96 -18.064 -4.529 8.065 1.00 15.00 O ATOM 1418 CG2 THR A 96 -17.723 -2.205 8.352 1.00 15.00 C ATOM 1419 OXT THR A 96 -16.898 -6.186 10.520 1.00 15.00 O ATOM 0 H THR A 96 -15.631 -4.227 8.927 1.00 15.00 H new ATOM 0 HA THR A 96 -17.370 -3.090 11.010 1.00 15.00 H new ATOM 0 HB THR A 96 -19.118 -3.385 9.442 1.00 15.00 H new ATOM 0 HG1 THR A 96 -18.639 -4.293 7.307 1.00 15.00 H new ATOM 0 HG21 THR A 96 -18.392 -2.021 7.512 1.00 15.00 H new ATOM 0 HG22 THR A 96 -17.798 -1.381 9.062 1.00 15.00 H new ATOM 0 HG23 THR A 96 -16.698 -2.280 7.990 1.00 15.00 H new TER 1427 THR A 96