USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 777 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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.4!) USER MOD Set 2.1: A 21 THR OG1 : rot 131:sc= 1.18 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.989 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0878 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 1.22 USER MOD Single : A 6 SER OG : rot 16:sc= 0.719 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.2) USER MOD Single : A 18 THR OG1 : rot -15:sc= 0.236 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 13:sc= -0.447 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 60:sc= -0.99! USER MOD Single : A 45 THR OG1 : rot 137:sc= 1.2! USER MOD Single : A 52 ASN :FLIP amide:sc= -0.076 F(o=-0.58,f=-0.076) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.6) USER MOD Single : A 55 GLN :FLIP amide:sc=-0.00978 F(o=-1.1,f=-0.0098) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -4.74! C(o=-4.7!,f=-5.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 10:sc= -0.916 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 40:sc= 2.11 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 150:sc= -1.02 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 147:sc= 0.103 (180deg=0.000153) USER MOD Single : A 89 SER OG : rot -150:sc= 0 USER MOD Single : A 93 SER OG : rot 72:sc= -1.21! USER MOD Single : A 95 SER OG : rot 159:sc= 1.22 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 120:sc= -0.0292 USER MOD Single : A 100 THR OG1 : rot -153:sc= -0.178 USER MOD Single : A 101 MET CE :methyl 136:sc= -1.87 (180deg=-5.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.966 -12.199 -18.726 1.00 0.00 N ATOM 2 CA GLY A 1 1.366 -13.359 -17.951 1.00 0.00 C ATOM 3 C GLY A 1 0.817 -14.653 -18.517 1.00 0.00 C ATOM 4 O GLY A 1 0.043 -14.640 -19.474 1.00 0.00 O ATOM 0 H1 GLY A 1 1.789 -11.823 -19.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.230 -12.474 -19.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.592 -11.468 -18.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.454 -13.413 -17.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.023 -13.241 -16.923 1.00 0.00 H new ATOM 8 N SER A 2 1.219 -15.774 -17.927 1.00 0.00 N ATOM 9 CA SER A 2 0.767 -17.083 -18.382 1.00 0.00 C ATOM 10 C SER A 2 -0.124 -17.744 -17.335 1.00 0.00 C ATOM 11 O SER A 2 -0.310 -17.216 -16.239 1.00 0.00 O ATOM 12 CB SER A 2 1.966 -17.982 -18.689 1.00 0.00 C ATOM 13 OG SER A 2 2.829 -17.376 -19.636 1.00 0.00 O ATOM 0 H SER A 2 1.858 -15.802 -17.132 1.00 0.00 H new ATOM 0 HA SER A 2 0.185 -16.943 -19.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.516 -18.187 -17.770 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.617 -18.941 -19.072 1.00 0.00 H new ATOM 0 HG SER A 2 3.588 -17.970 -19.814 1.00 0.00 H new ATOM 19 N SER A 3 -0.674 -18.904 -17.682 1.00 0.00 N ATOM 20 CA SER A 3 -1.549 -19.636 -16.774 1.00 0.00 C ATOM 21 C SER A 3 -0.740 -20.336 -15.686 1.00 0.00 C ATOM 22 O SER A 3 -0.094 -21.353 -15.933 1.00 0.00 O ATOM 23 CB SER A 3 -2.377 -20.663 -17.549 1.00 0.00 C ATOM 24 OG SER A 3 -3.191 -20.032 -18.523 1.00 0.00 O ATOM 0 H SER A 3 -0.529 -19.356 -18.585 1.00 0.00 H new ATOM 0 HA SER A 3 -2.220 -18.920 -16.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.713 -21.379 -18.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.003 -21.227 -16.857 1.00 0.00 H new ATOM 0 HG SER A 3 -3.709 -20.710 -19.006 1.00 0.00 H new ATOM 30 N GLY A 4 -0.782 -19.781 -14.478 1.00 0.00 N ATOM 31 CA GLY A 4 -0.049 -20.363 -13.369 1.00 0.00 C ATOM 32 C GLY A 4 0.595 -19.314 -12.485 1.00 0.00 C ATOM 33 O GLY A 4 1.578 -18.683 -12.874 1.00 0.00 O ATOM 0 H GLY A 4 -1.310 -18.939 -14.248 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.726 -20.972 -12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.721 -21.030 -13.757 1.00 0.00 H new ATOM 37 N SER A 5 0.040 -19.125 -11.292 1.00 0.00 N ATOM 38 CA SER A 5 0.563 -18.140 -10.353 1.00 0.00 C ATOM 39 C SER A 5 -0.007 -18.365 -8.956 1.00 0.00 C ATOM 40 O SER A 5 -1.222 -18.338 -8.758 1.00 0.00 O ATOM 41 CB SER A 5 0.234 -16.724 -10.829 1.00 0.00 C ATOM 42 OG SER A 5 1.192 -16.265 -11.766 1.00 0.00 O ATOM 0 H SER A 5 -0.772 -19.641 -10.953 1.00 0.00 H new ATOM 0 HA SER A 5 1.646 -18.257 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.757 -16.710 -11.282 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.203 -16.048 -9.975 1.00 0.00 H new ATOM 0 HG SER A 5 1.557 -17.028 -12.261 1.00 0.00 H new ATOM 48 N SER A 6 0.878 -18.587 -7.990 1.00 0.00 N ATOM 49 CA SER A 6 0.464 -18.821 -6.612 1.00 0.00 C ATOM 50 C SER A 6 0.238 -17.501 -5.881 1.00 0.00 C ATOM 51 O SER A 6 1.155 -16.693 -5.739 1.00 0.00 O ATOM 52 CB SER A 6 1.516 -19.652 -5.874 1.00 0.00 C ATOM 53 OG SER A 6 2.687 -18.891 -5.630 1.00 0.00 O ATOM 0 H SER A 6 1.887 -18.610 -8.136 1.00 0.00 H new ATOM 0 HA SER A 6 -0.476 -19.372 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.106 -20.008 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.767 -20.533 -6.464 1.00 0.00 H new ATOM 0 HG SER A 6 2.489 -17.939 -5.749 1.00 0.00 H new ATOM 59 N GLY A 7 -0.991 -17.290 -5.419 1.00 0.00 N ATOM 60 CA GLY A 7 -1.316 -16.067 -4.709 1.00 0.00 C ATOM 61 C GLY A 7 -2.760 -15.649 -4.905 1.00 0.00 C ATOM 62 O GLY A 7 -3.502 -16.250 -5.682 1.00 0.00 O ATOM 0 H GLY A 7 -1.767 -17.944 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.122 -16.206 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.660 -15.267 -5.051 1.00 0.00 H new ATOM 66 N PRO A 8 -3.178 -14.596 -4.187 1.00 0.00 N ATOM 67 CA PRO A 8 -4.546 -14.076 -4.269 1.00 0.00 C ATOM 68 C PRO A 8 -4.832 -13.402 -5.606 1.00 0.00 C ATOM 69 O PRO A 8 -3.937 -12.825 -6.225 1.00 0.00 O ATOM 70 CB PRO A 8 -4.605 -13.053 -3.131 1.00 0.00 C ATOM 71 CG PRO A 8 -3.192 -12.627 -2.932 1.00 0.00 C ATOM 72 CD PRO A 8 -2.348 -13.832 -3.242 1.00 0.00 C ATOM 0 HA PRO A 8 -5.289 -14.870 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.241 -12.207 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.017 -13.494 -2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.939 -11.794 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.027 -12.288 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.392 -13.550 -3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.126 -14.409 -2.344 1.00 0.00 H new ATOM 80 N SER A 9 -6.084 -13.478 -6.047 1.00 0.00 N ATOM 81 CA SER A 9 -6.486 -12.877 -7.313 1.00 0.00 C ATOM 82 C SER A 9 -7.445 -11.713 -7.082 1.00 0.00 C ATOM 83 O SER A 9 -8.337 -11.460 -7.891 1.00 0.00 O ATOM 84 CB SER A 9 -7.145 -13.925 -8.212 1.00 0.00 C ATOM 85 OG SER A 9 -8.397 -14.332 -7.688 1.00 0.00 O ATOM 0 H SER A 9 -6.837 -13.950 -5.546 1.00 0.00 H new ATOM 0 HA SER A 9 -5.592 -12.496 -7.806 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.282 -13.516 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.489 -14.790 -8.308 1.00 0.00 H new ATOM 0 HG SER A 9 -8.798 -15.001 -8.282 1.00 0.00 H new ATOM 91 N GLY A 10 -7.254 -11.008 -5.971 1.00 0.00 N ATOM 92 CA GLY A 10 -8.108 -9.880 -5.653 1.00 0.00 C ATOM 93 C GLY A 10 -7.425 -8.872 -4.749 1.00 0.00 C ATOM 94 O GLY A 10 -6.863 -9.235 -3.716 1.00 0.00 O ATOM 0 H GLY A 10 -6.523 -11.198 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.413 -9.387 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.016 -10.241 -5.169 1.00 0.00 H new ATOM 98 N PHE A 11 -7.472 -7.603 -5.139 1.00 0.00 N ATOM 99 CA PHE A 11 -6.851 -6.539 -4.358 1.00 0.00 C ATOM 100 C PHE A 11 -7.864 -5.891 -3.419 1.00 0.00 C ATOM 101 O PHE A 11 -9.071 -5.912 -3.658 1.00 0.00 O ATOM 102 CB PHE A 11 -6.249 -5.482 -5.286 1.00 0.00 C ATOM 103 CG PHE A 11 -7.207 -4.984 -6.330 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.405 -5.696 -7.502 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.910 -3.806 -6.139 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.286 -5.240 -8.465 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.792 -3.345 -7.098 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.981 -4.063 -8.262 1.00 0.00 C ATOM 0 H PHE A 11 -7.934 -7.286 -5.991 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.056 -6.980 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.906 -4.638 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.372 -5.901 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.865 -6.617 -7.665 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.767 -3.241 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.431 -5.803 -9.375 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.333 -2.424 -6.937 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.671 -3.706 -9.012 1.00 0.00 H new ATOM 118 N PRO A 12 -7.362 -5.301 -2.324 1.00 0.00 N ATOM 119 CA PRO A 12 -8.205 -4.636 -1.327 1.00 0.00 C ATOM 120 C PRO A 12 -8.822 -3.347 -1.857 1.00 0.00 C ATOM 121 O PRO A 12 -8.528 -2.921 -2.973 1.00 0.00 O ATOM 122 CB PRO A 12 -7.231 -4.332 -0.185 1.00 0.00 C ATOM 123 CG PRO A 12 -5.894 -4.256 -0.838 1.00 0.00 C ATOM 124 CD PRO A 12 -5.932 -5.239 -1.976 1.00 0.00 C ATOM 0 HA PRO A 12 -9.051 -5.256 -1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.483 -3.395 0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.256 -5.112 0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.693 -3.248 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.101 -4.505 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.327 -4.903 -2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.548 -6.215 -1.678 1.00 0.00 H new ATOM 132 N GLN A 13 -9.680 -2.731 -1.049 1.00 0.00 N ATOM 133 CA GLN A 13 -10.339 -1.490 -1.439 1.00 0.00 C ATOM 134 C GLN A 13 -10.292 -0.469 -0.306 1.00 0.00 C ATOM 135 O GLN A 13 -9.710 -0.724 0.747 1.00 0.00 O ATOM 136 CB GLN A 13 -11.790 -1.762 -1.837 1.00 0.00 C ATOM 137 CG GLN A 13 -12.000 -3.123 -2.480 1.00 0.00 C ATOM 138 CD GLN A 13 -11.569 -3.154 -3.933 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.028 -2.178 -4.454 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.807 -4.280 -4.597 1.00 0.00 N ATOM 0 H GLN A 13 -9.935 -3.071 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.806 -1.079 -2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.421 -1.687 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.119 -0.988 -2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.440 -3.874 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.053 -3.394 -2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.258 -5.064 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.539 -4.360 -5.578 1.00 0.00 H new ATOM 149 N ASN A 14 -10.910 0.686 -0.531 1.00 0.00 N ATOM 150 CA ASN A 14 -10.938 1.745 0.471 1.00 0.00 C ATOM 151 C ASN A 14 -9.524 2.197 0.825 1.00 0.00 C ATOM 152 O ASN A 14 -9.250 2.581 1.962 1.00 0.00 O ATOM 153 CB ASN A 14 -11.662 1.265 1.730 1.00 0.00 C ATOM 154 CG ASN A 14 -13.151 1.548 1.684 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.703 2.181 2.584 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.810 1.077 0.631 1.00 0.00 N ATOM 0 H ASN A 14 -11.398 0.912 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.477 2.594 0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.502 0.194 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.229 1.753 2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.814 1.235 0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.312 0.557 -0.092 1.00 0.00 H new ATOM 163 N LEU A 15 -8.631 2.149 -0.157 1.00 0.00 N ATOM 164 CA LEU A 15 -7.244 2.553 0.050 1.00 0.00 C ATOM 165 C LEU A 15 -7.114 4.073 0.042 1.00 0.00 C ATOM 166 O LEU A 15 -7.327 4.720 -0.984 1.00 0.00 O ATOM 167 CB LEU A 15 -6.349 1.948 -1.033 1.00 0.00 C ATOM 168 CG LEU A 15 -4.843 2.039 -0.786 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.448 1.200 0.420 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.072 1.596 -2.021 1.00 0.00 C ATOM 0 H LEU A 15 -8.842 1.835 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.925 2.184 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.615 0.898 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.572 2.442 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.591 3.079 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.373 1.277 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.974 1.563 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.714 0.158 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.002 1.667 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.329 0.564 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.332 2.239 -2.862 1.00 0.00 H new ATOM 182 N HIS A 16 -6.761 4.637 1.192 1.00 0.00 N ATOM 183 CA HIS A 16 -6.599 6.082 1.318 1.00 0.00 C ATOM 184 C HIS A 16 -5.863 6.436 2.607 1.00 0.00 C ATOM 185 O HIS A 16 -5.526 5.559 3.402 1.00 0.00 O ATOM 186 CB HIS A 16 -7.962 6.773 1.288 1.00 0.00 C ATOM 187 CG HIS A 16 -8.968 6.154 2.208 1.00 0.00 C ATOM 188 ND1 HIS A 16 -10.053 5.430 1.759 1.00 0.00 N ATOM 189 CD2 HIS A 16 -9.050 6.152 3.559 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.758 5.011 2.794 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.171 5.436 3.898 1.00 0.00 N ATOM 0 H HIS A 16 -6.581 4.116 2.050 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.004 6.432 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.834 7.822 1.556 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.350 6.749 0.270 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.361 6.626 4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.661 4.421 2.746 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.498 5.261 4.848 1.00 0.00 H new ATOM 200 N VAL A 17 -5.618 7.727 2.807 1.00 0.00 N ATOM 201 CA VAL A 17 -4.923 8.198 3.999 1.00 0.00 C ATOM 202 C VAL A 17 -5.897 8.819 4.994 1.00 0.00 C ATOM 203 O VAL A 17 -6.720 9.661 4.632 1.00 0.00 O ATOM 204 CB VAL A 17 -3.839 9.233 3.645 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.092 9.673 4.895 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.877 8.664 2.612 1.00 0.00 C ATOM 0 H VAL A 17 -5.891 8.466 2.159 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.449 7.328 4.453 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.324 10.109 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.330 10.404 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.793 10.122 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.617 8.808 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.117 9.408 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.397 7.772 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.427 8.404 1.708 1.00 0.00 H new ATOM 216 N THR A 18 -5.799 8.398 6.251 1.00 0.00 N ATOM 217 CA THR A 18 -6.672 8.912 7.299 1.00 0.00 C ATOM 218 C THR A 18 -6.051 10.123 7.987 1.00 0.00 C ATOM 219 O THR A 18 -6.735 10.873 8.682 1.00 0.00 O ATOM 220 CB THR A 18 -6.974 7.834 8.357 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.809 8.378 9.386 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.688 7.301 8.970 1.00 0.00 C ATOM 0 H THR A 18 -5.124 7.702 6.568 1.00 0.00 H new ATOM 0 HA THR A 18 -7.603 9.209 6.817 1.00 0.00 H new ATOM 0 HB THR A 18 -7.492 7.010 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.802 9.356 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.927 6.541 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.068 6.861 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.146 8.118 9.447 1.00 0.00 H new ATOM 230 N GLY A 19 -4.750 10.308 7.788 1.00 0.00 N ATOM 231 CA GLY A 19 -4.059 11.431 8.395 1.00 0.00 C ATOM 232 C GLY A 19 -2.607 11.519 7.967 1.00 0.00 C ATOM 233 O GLY A 19 -1.708 11.127 8.712 1.00 0.00 O ATOM 0 H GLY A 19 -4.162 9.701 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.570 12.356 8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.110 11.341 9.480 1.00 0.00 H new ATOM 237 N LEU A 20 -2.377 12.032 6.764 1.00 0.00 N ATOM 238 CA LEU A 20 -1.024 12.168 6.236 1.00 0.00 C ATOM 239 C LEU A 20 -0.225 13.187 7.043 1.00 0.00 C ATOM 240 O LEU A 20 -0.767 13.868 7.915 1.00 0.00 O ATOM 241 CB LEU A 20 -1.068 12.587 4.766 1.00 0.00 C ATOM 242 CG LEU A 20 -1.057 14.092 4.496 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.377 14.375 3.036 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.045 14.805 5.408 1.00 0.00 C ATOM 0 H LEU A 20 -3.110 12.361 6.135 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.530 11.200 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.214 12.141 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.966 12.164 4.315 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.058 14.472 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.365 15.451 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.632 13.897 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.365 13.980 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.024 15.875 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.049 14.421 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.771 14.630 6.448 1.00 0.00 H new ATOM 256 N THR A 21 1.067 13.289 6.746 1.00 0.00 N ATOM 257 CA THR A 21 1.940 14.225 7.442 1.00 0.00 C ATOM 258 C THR A 21 2.993 14.799 6.500 1.00 0.00 C ATOM 259 O THR A 21 3.233 14.262 5.418 1.00 0.00 O ATOM 260 CB THR A 21 2.646 13.554 8.635 1.00 0.00 C ATOM 261 OG1 THR A 21 1.802 12.543 9.198 1.00 0.00 O ATOM 262 CG2 THR A 21 2.998 14.579 9.702 1.00 0.00 C ATOM 0 H THR A 21 1.532 12.734 6.027 1.00 0.00 H new ATOM 0 HA THR A 21 1.308 15.032 7.811 1.00 0.00 H new ATOM 0 HB THR A 21 3.568 13.098 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.313 11.714 9.306 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.496 14.081 10.534 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.664 15.331 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.087 15.060 10.059 1.00 0.00 H new ATOM 270 N THR A 22 3.620 15.894 6.919 1.00 0.00 N ATOM 271 CA THR A 22 4.647 16.541 6.112 1.00 0.00 C ATOM 272 C THR A 22 5.760 15.564 5.752 1.00 0.00 C ATOM 273 O THR A 22 6.255 15.559 4.625 1.00 0.00 O ATOM 274 CB THR A 22 5.259 17.750 6.846 1.00 0.00 C ATOM 275 OG1 THR A 22 5.730 17.352 8.138 1.00 0.00 O ATOM 276 CG2 THR A 22 4.236 18.866 6.995 1.00 0.00 C ATOM 0 H THR A 22 3.435 16.351 7.812 1.00 0.00 H new ATOM 0 HA THR A 22 4.161 16.886 5.200 1.00 0.00 H new ATOM 0 HB THR A 22 6.095 18.121 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.119 18.126 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.690 19.709 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.901 19.187 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.382 18.503 7.567 1.00 0.00 H new ATOM 284 N SER A 23 6.150 14.737 6.717 1.00 0.00 N ATOM 285 CA SER A 23 7.208 13.756 6.501 1.00 0.00 C ATOM 286 C SER A 23 6.629 12.350 6.379 1.00 0.00 C ATOM 287 O SER A 23 7.026 11.575 5.508 1.00 0.00 O ATOM 288 CB SER A 23 8.219 13.805 7.648 1.00 0.00 C ATOM 289 OG SER A 23 9.091 14.915 7.513 1.00 0.00 O ATOM 0 H SER A 23 5.750 14.727 7.655 1.00 0.00 H new ATOM 0 HA SER A 23 7.714 14.004 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.691 13.867 8.600 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.799 12.883 7.665 1.00 0.00 H new ATOM 0 HG SER A 23 9.726 14.925 8.259 1.00 0.00 H new ATOM 295 N THR A 24 5.686 12.027 7.259 1.00 0.00 N ATOM 296 CA THR A 24 5.051 10.715 7.251 1.00 0.00 C ATOM 297 C THR A 24 3.670 10.775 6.609 1.00 0.00 C ATOM 298 O THR A 24 3.117 11.856 6.400 1.00 0.00 O ATOM 299 CB THR A 24 4.917 10.147 8.677 1.00 0.00 C ATOM 300 OG1 THR A 24 3.876 10.833 9.381 1.00 0.00 O ATOM 301 CG2 THR A 24 6.227 10.285 9.439 1.00 0.00 C ATOM 0 H THR A 24 5.345 12.656 7.986 1.00 0.00 H new ATOM 0 HA THR A 24 5.693 10.058 6.664 1.00 0.00 H new ATOM 0 HB THR A 24 4.668 9.089 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.796 10.465 10.286 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.109 9.877 10.443 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.012 9.739 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.500 11.338 9.505 1.00 0.00 H new ATOM 309 N THR A 25 3.116 9.608 6.297 1.00 0.00 N ATOM 310 CA THR A 25 1.799 9.528 5.678 1.00 0.00 C ATOM 311 C THR A 25 1.036 8.302 6.165 1.00 0.00 C ATOM 312 O THR A 25 1.445 7.167 5.920 1.00 0.00 O ATOM 313 CB THR A 25 1.902 9.478 4.142 1.00 0.00 C ATOM 314 OG1 THR A 25 2.096 10.797 3.621 1.00 0.00 O ATOM 315 CG2 THR A 25 0.649 8.865 3.535 1.00 0.00 C ATOM 0 H THR A 25 3.559 8.705 6.463 1.00 0.00 H new ATOM 0 HA THR A 25 1.258 10.428 5.969 1.00 0.00 H new ATOM 0 HB THR A 25 2.756 8.855 3.877 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.327 11.407 4.352 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.745 8.840 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.522 7.850 3.911 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.219 9.465 3.809 1.00 0.00 H new ATOM 323 N GLU A 26 -0.076 8.537 6.855 1.00 0.00 N ATOM 324 CA GLU A 26 -0.896 7.450 7.376 1.00 0.00 C ATOM 325 C GLU A 26 -1.707 6.798 6.260 1.00 0.00 C ATOM 326 O GLU A 26 -1.871 7.368 5.181 1.00 0.00 O ATOM 327 CB GLU A 26 -1.834 7.967 8.468 1.00 0.00 C ATOM 328 CG GLU A 26 -1.135 8.251 9.787 1.00 0.00 C ATOM 329 CD GLU A 26 -2.102 8.348 10.951 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.207 8.898 10.760 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.754 7.873 12.053 1.00 0.00 O ATOM 0 H GLU A 26 -0.429 9.470 7.066 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.231 6.700 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.317 8.880 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.623 7.233 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.410 7.462 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.577 9.184 9.705 1.00 0.00 H new ATOM 338 N LEU A 27 -2.213 5.599 6.528 1.00 0.00 N ATOM 339 CA LEU A 27 -3.007 4.867 5.548 1.00 0.00 C ATOM 340 C LEU A 27 -4.112 4.066 6.230 1.00 0.00 C ATOM 341 O LEU A 27 -4.094 3.876 7.446 1.00 0.00 O ATOM 342 CB LEU A 27 -2.112 3.931 4.733 1.00 0.00 C ATOM 343 CG LEU A 27 -0.919 4.584 4.035 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.020 3.526 3.414 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.393 5.571 2.978 1.00 0.00 C ATOM 0 H LEU A 27 -2.087 5.113 7.416 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.470 5.592 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.737 3.151 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.726 3.440 3.978 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.341 5.131 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.824 4.009 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.348 2.858 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.587 2.951 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.530 6.026 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.994 5.047 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.995 6.348 3.449 1.00 0.00 H new ATOM 357 N ALA A 28 -5.071 3.598 5.439 1.00 0.00 N ATOM 358 CA ALA A 28 -6.181 2.814 5.966 1.00 0.00 C ATOM 359 C ALA A 28 -7.027 2.232 4.838 1.00 0.00 C ATOM 360 O ALA A 28 -7.782 2.950 4.182 1.00 0.00 O ATOM 361 CB ALA A 28 -7.041 3.668 6.886 1.00 0.00 C ATOM 0 H ALA A 28 -5.102 3.748 4.431 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.767 1.985 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.866 3.069 7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.436 4.031 7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.438 4.517 6.329 1.00 0.00 H new ATOM 367 N TRP A 29 -6.894 0.929 4.617 1.00 0.00 N ATOM 368 CA TRP A 29 -7.646 0.252 3.566 1.00 0.00 C ATOM 369 C TRP A 29 -8.436 -0.922 4.133 1.00 0.00 C ATOM 370 O TRP A 29 -8.405 -1.180 5.337 1.00 0.00 O ATOM 371 CB TRP A 29 -6.701 -0.237 2.468 1.00 0.00 C ATOM 372 CG TRP A 29 -5.645 -1.176 2.967 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.720 -2.538 3.023 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.357 -0.821 3.482 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.556 -3.052 3.542 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.703 -2.020 3.831 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.691 0.391 3.680 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.419 -2.038 4.367 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.416 0.372 4.213 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.790 -0.836 4.551 1.00 0.00 C ATOM 0 H TRP A 29 -6.273 0.321 5.151 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.349 0.967 3.139 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.283 -0.735 1.693 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.221 0.624 2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.569 -3.125 2.706 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.359 -4.042 3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.164 1.327 3.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.936 -2.968 4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.893 1.304 4.372 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.792 -0.818 4.964 1.00 0.00 H new ATOM 391 N ASP A 30 -9.144 -1.630 3.260 1.00 0.00 N ATOM 392 CA ASP A 30 -9.941 -2.779 3.675 1.00 0.00 C ATOM 393 C ASP A 30 -9.520 -4.035 2.917 1.00 0.00 C ATOM 394 O ASP A 30 -8.932 -3.970 1.838 1.00 0.00 O ATOM 395 CB ASP A 30 -11.428 -2.504 3.445 1.00 0.00 C ATOM 396 CG ASP A 30 -11.904 -2.988 2.090 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.158 -2.816 1.103 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.022 -3.539 2.015 1.00 0.00 O ATOM 0 H ASP A 30 -9.182 -1.429 2.261 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.770 -2.944 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.010 -2.992 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.614 -1.433 3.531 1.00 0.00 H new ATOM 403 N PRO A 31 -9.828 -5.205 3.495 1.00 0.00 N ATOM 404 CA PRO A 31 -9.490 -6.498 2.892 1.00 0.00 C ATOM 405 C PRO A 31 -10.314 -6.787 1.641 1.00 0.00 C ATOM 406 O PRO A 31 -11.288 -6.098 1.338 1.00 0.00 O ATOM 407 CB PRO A 31 -9.825 -7.503 3.997 1.00 0.00 C ATOM 408 CG PRO A 31 -10.859 -6.823 4.826 1.00 0.00 C ATOM 409 CD PRO A 31 -10.529 -5.357 4.781 1.00 0.00 C ATOM 0 HA PRO A 31 -8.451 -6.536 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.202 -8.437 3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.943 -7.750 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.859 -7.010 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.844 -7.195 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.427 -4.741 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.899 -5.061 5.620 1.00 0.00 H new ATOM 417 N PRO A 32 -9.916 -7.830 0.898 1.00 0.00 N ATOM 418 CA PRO A 32 -10.605 -8.235 -0.331 1.00 0.00 C ATOM 419 C PRO A 32 -11.981 -8.831 -0.055 1.00 0.00 C ATOM 420 O PRO A 32 -12.205 -9.445 0.988 1.00 0.00 O ATOM 421 CB PRO A 32 -9.674 -9.293 -0.928 1.00 0.00 C ATOM 422 CG PRO A 32 -8.925 -9.840 0.238 1.00 0.00 C ATOM 423 CD PRO A 32 -8.764 -8.696 1.200 1.00 0.00 C ATOM 0 HA PRO A 32 -10.790 -7.388 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.238 -10.074 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.998 -8.856 -1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.469 -10.664 0.699 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.955 -10.231 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.778 -9.037 2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.819 -8.174 1.049 1.00 0.00 H new ATOM 431 N VAL A 33 -12.901 -8.646 -0.997 1.00 0.00 N ATOM 432 CA VAL A 33 -14.255 -9.167 -0.856 1.00 0.00 C ATOM 433 C VAL A 33 -14.254 -10.690 -0.794 1.00 0.00 C ATOM 434 O VAL A 33 -13.551 -11.354 -1.558 1.00 0.00 O ATOM 435 CB VAL A 33 -15.155 -8.712 -2.020 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.525 -7.245 -1.868 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.468 -8.962 -3.354 1.00 0.00 C ATOM 0 H VAL A 33 -12.733 -8.139 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.652 -8.769 0.078 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.074 -9.298 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.161 -6.942 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -16.061 -7.100 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.619 -6.640 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.118 -8.635 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.532 -8.404 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.261 -10.027 -3.463 1.00 0.00 H new ATOM 447 N LEU A 34 -15.046 -11.240 0.120 1.00 0.00 N ATOM 448 CA LEU A 34 -15.138 -12.687 0.282 1.00 0.00 C ATOM 449 C LEU A 34 -15.219 -13.383 -1.072 1.00 0.00 C ATOM 450 O LEU A 34 -14.869 -14.555 -1.201 1.00 0.00 O ATOM 451 CB LEU A 34 -16.360 -13.048 1.128 1.00 0.00 C ATOM 452 CG LEU A 34 -17.714 -12.958 0.424 1.00 0.00 C ATOM 453 CD1 LEU A 34 -18.026 -14.259 -0.301 1.00 0.00 C ATOM 454 CD2 LEU A 34 -18.813 -12.625 1.422 1.00 0.00 C ATOM 0 H LEU A 34 -15.634 -10.706 0.760 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.237 -13.029 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.233 -14.065 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.381 -12.392 1.998 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.666 -12.157 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.993 -14.177 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.253 -14.456 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.055 -15.078 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.770 -12.565 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.861 -13.404 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.596 -11.667 1.896 1.00 0.00 H new ATOM 466 N ALA A 35 -15.682 -12.651 -2.081 1.00 0.00 N ATOM 467 CA ALA A 35 -15.805 -13.197 -3.427 1.00 0.00 C ATOM 468 C ALA A 35 -14.437 -13.365 -4.079 1.00 0.00 C ATOM 469 O ALA A 35 -14.123 -14.424 -4.620 1.00 0.00 O ATOM 470 CB ALA A 35 -16.692 -12.302 -4.280 1.00 0.00 C ATOM 0 H ALA A 35 -15.978 -11.679 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.266 -14.182 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.775 -12.721 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.683 -12.237 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.254 -11.306 -4.339 1.00 0.00 H new ATOM 476 N GLU A 36 -13.627 -12.312 -4.023 1.00 0.00 N ATOM 477 CA GLU A 36 -12.292 -12.344 -4.610 1.00 0.00 C ATOM 478 C GLU A 36 -11.252 -12.757 -3.573 1.00 0.00 C ATOM 479 O GLU A 36 -10.545 -11.915 -3.018 1.00 0.00 O ATOM 480 CB GLU A 36 -11.934 -10.975 -5.191 1.00 0.00 C ATOM 481 CG GLU A 36 -13.010 -10.396 -6.094 1.00 0.00 C ATOM 482 CD GLU A 36 -12.444 -9.499 -7.177 1.00 0.00 C ATOM 483 OE1 GLU A 36 -12.043 -8.361 -6.857 1.00 0.00 O ATOM 484 OE2 GLU A 36 -12.400 -9.937 -8.346 1.00 0.00 O ATOM 0 H GLU A 36 -13.871 -11.427 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.293 -13.082 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.746 -10.280 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.006 -11.061 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.567 -11.210 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.718 -9.828 -5.491 1.00 0.00 H new ATOM 491 N ARG A 37 -11.164 -14.058 -3.316 1.00 0.00 N ATOM 492 CA ARG A 37 -10.212 -14.582 -2.345 1.00 0.00 C ATOM 493 C ARG A 37 -9.794 -16.005 -2.706 1.00 0.00 C ATOM 494 O ARG A 37 -10.582 -16.942 -2.586 1.00 0.00 O ATOM 495 CB ARG A 37 -10.818 -14.559 -0.940 1.00 0.00 C ATOM 496 CG ARG A 37 -10.723 -13.203 -0.259 1.00 0.00 C ATOM 497 CD ARG A 37 -11.517 -13.175 1.038 1.00 0.00 C ATOM 498 NE ARG A 37 -10.722 -13.628 2.176 1.00 0.00 N ATOM 499 CZ ARG A 37 -10.576 -14.906 2.508 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.167 -15.852 1.793 1.00 0.00 N ATOM 501 NH2 ARG A 37 -9.836 -15.239 3.558 1.00 0.00 N ATOM 0 H ARG A 37 -11.741 -14.768 -3.767 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.327 -13.946 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.866 -14.853 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.313 -15.302 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.678 -12.971 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.095 -12.430 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.872 -12.161 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.399 -13.808 0.937 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.253 -12.925 2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.736 -15.600 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.053 -16.832 2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.379 -14.514 4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.724 -16.220 3.813 1.00 0.00 H new ATOM 515 N ASN A 38 -8.551 -16.156 -3.150 1.00 0.00 N ATOM 516 CA ASN A 38 -8.029 -17.464 -3.530 1.00 0.00 C ATOM 517 C ASN A 38 -7.358 -18.148 -2.343 1.00 0.00 C ATOM 518 O ASN A 38 -6.392 -18.892 -2.506 1.00 0.00 O ATOM 519 CB ASN A 38 -7.032 -17.323 -4.682 1.00 0.00 C ATOM 520 CG ASN A 38 -7.704 -17.388 -6.040 1.00 0.00 C ATOM 521 OD1 ASN A 38 -8.910 -17.618 -6.138 1.00 0.00 O ATOM 522 ND2 ASN A 38 -6.925 -17.186 -7.096 1.00 0.00 N ATOM 0 H ASN A 38 -7.886 -15.390 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.866 -18.081 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.503 -16.375 -4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.285 -18.114 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.321 -17.218 -8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.931 -16.999 -6.968 1.00 0.00 H new ATOM 529 N GLY A 39 -7.879 -17.891 -1.147 1.00 0.00 N ATOM 530 CA GLY A 39 -7.318 -18.490 0.050 1.00 0.00 C ATOM 531 C GLY A 39 -7.535 -17.634 1.283 1.00 0.00 C ATOM 532 O GLY A 39 -8.670 -17.309 1.630 1.00 0.00 O ATOM 0 H GLY A 39 -8.679 -17.279 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.769 -19.470 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.249 -18.650 -0.094 1.00 0.00 H new ATOM 536 N ARG A 40 -6.443 -17.269 1.947 1.00 0.00 N ATOM 537 CA ARG A 40 -6.519 -16.448 3.149 1.00 0.00 C ATOM 538 C ARG A 40 -5.415 -15.395 3.159 1.00 0.00 C ATOM 539 O ARG A 40 -4.357 -15.585 2.558 1.00 0.00 O ATOM 540 CB ARG A 40 -6.414 -17.325 4.398 1.00 0.00 C ATOM 541 CG ARG A 40 -7.647 -18.176 4.650 1.00 0.00 C ATOM 542 CD ARG A 40 -7.486 -19.036 5.894 1.00 0.00 C ATOM 543 NE ARG A 40 -8.773 -19.370 6.499 1.00 0.00 N ATOM 544 CZ ARG A 40 -8.912 -19.768 7.759 1.00 0.00 C ATOM 545 NH1 ARG A 40 -7.848 -19.881 8.543 1.00 0.00 N ATOM 546 NH2 ARG A 40 -10.116 -20.054 8.237 1.00 0.00 N ATOM 0 H ARG A 40 -5.496 -17.529 1.673 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.483 -15.939 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.546 -17.977 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.239 -16.688 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.519 -17.531 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.832 -18.815 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.958 -19.954 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.869 -18.509 6.622 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.611 -19.293 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.921 -19.662 8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.957 -20.187 9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.936 -19.968 7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.221 -20.359 9.204 1.00 0.00 H new ATOM 560 N ILE A 41 -5.668 -14.286 3.845 1.00 0.00 N ATOM 561 CA ILE A 41 -4.696 -13.204 3.934 1.00 0.00 C ATOM 562 C ILE A 41 -3.847 -13.329 5.195 1.00 0.00 C ATOM 563 O ILE A 41 -4.346 -13.708 6.255 1.00 0.00 O ATOM 564 CB ILE A 41 -5.384 -11.826 3.926 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.620 -11.854 3.024 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.411 -10.750 3.467 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.349 -12.412 1.645 1.00 0.00 C ATOM 0 H ILE A 41 -6.539 -14.113 4.348 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.054 -13.285 3.057 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.703 -11.590 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.396 -12.452 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.012 -10.842 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.912 -9.782 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.559 -10.717 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.064 -10.979 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.269 -12.402 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.596 -11.801 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.986 -13.436 1.732 1.00 0.00 H new ATOM 579 N ILE A 42 -2.564 -13.006 5.072 1.00 0.00 N ATOM 580 CA ILE A 42 -1.647 -13.080 6.203 1.00 0.00 C ATOM 581 C ILE A 42 -1.009 -11.723 6.482 1.00 0.00 C ATOM 582 O ILE A 42 -0.669 -11.408 7.623 1.00 0.00 O ATOM 583 CB ILE A 42 -0.535 -14.117 5.960 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.180 -13.830 4.638 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.114 -15.524 5.960 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.376 -14.723 4.391 1.00 0.00 C ATOM 0 H ILE A 42 -2.136 -12.691 4.201 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.236 -13.387 7.067 1.00 0.00 H new ATOM 0 HB ILE A 42 0.192 -14.044 6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.528 -13.950 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.505 -12.790 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.316 -16.246 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.582 -15.725 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.859 -15.611 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.833 -14.463 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.104 -14.586 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.054 -15.764 4.368 1.00 0.00 H new ATOM 598 N SER A 43 -0.851 -10.922 5.433 1.00 0.00 N ATOM 599 CA SER A 43 -0.252 -9.599 5.565 1.00 0.00 C ATOM 600 C SER A 43 -0.379 -8.814 4.263 1.00 0.00 C ATOM 601 O SER A 43 -0.821 -9.345 3.244 1.00 0.00 O ATOM 602 CB SER A 43 1.221 -9.720 5.959 1.00 0.00 C ATOM 603 OG SER A 43 1.906 -10.619 5.103 1.00 0.00 O ATOM 0 H SER A 43 -1.129 -11.166 4.483 1.00 0.00 H new ATOM 0 HA SER A 43 -0.787 -9.061 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.694 -8.739 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.298 -10.065 6.990 1.00 0.00 H new ATOM 0 HG SER A 43 2.846 -10.677 5.375 1.00 0.00 H new ATOM 609 N TYR A 44 0.012 -7.545 4.305 1.00 0.00 N ATOM 610 CA TYR A 44 -0.059 -6.684 3.130 1.00 0.00 C ATOM 611 C TYR A 44 1.244 -5.915 2.938 1.00 0.00 C ATOM 612 O TYR A 44 2.012 -5.723 3.882 1.00 0.00 O ATOM 613 CB TYR A 44 -1.228 -5.705 3.260 1.00 0.00 C ATOM 614 CG TYR A 44 -2.580 -6.380 3.310 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.963 -7.133 4.413 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.476 -6.263 2.254 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.197 -7.752 4.462 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.712 -6.877 2.295 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.068 -7.621 3.401 1.00 0.00 C ATOM 620 OH TYR A 44 -6.299 -8.235 3.446 1.00 0.00 O ATOM 0 H TYR A 44 0.381 -7.090 5.140 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.218 -7.316 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.094 -5.111 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.207 -5.014 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.284 -7.236 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.201 -5.682 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.478 -8.335 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.396 -6.775 1.466 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.805 -7.897 4.214 1.00 0.00 H new ATOM 630 N THR A 45 1.488 -5.474 1.708 1.00 0.00 N ATOM 631 CA THR A 45 2.698 -4.726 1.390 1.00 0.00 C ATOM 632 C THR A 45 2.362 -3.327 0.885 1.00 0.00 C ATOM 633 O THR A 45 1.705 -3.168 -0.144 1.00 0.00 O ATOM 634 CB THR A 45 3.545 -5.453 0.329 1.00 0.00 C ATOM 635 OG1 THR A 45 3.970 -6.725 0.829 1.00 0.00 O ATOM 636 CG2 THR A 45 4.760 -4.622 -0.055 1.00 0.00 C ATOM 0 H THR A 45 0.863 -5.622 0.915 1.00 0.00 H new ATOM 0 HA THR A 45 3.274 -4.648 2.312 1.00 0.00 H new ATOM 0 HB THR A 45 2.929 -5.599 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.862 -7.404 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.343 -5.156 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.433 -3.665 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.376 -4.449 0.827 1.00 0.00 H new ATOM 644 N VAL A 46 2.818 -2.314 1.615 1.00 0.00 N ATOM 645 CA VAL A 46 2.567 -0.928 1.240 1.00 0.00 C ATOM 646 C VAL A 46 3.713 -0.369 0.404 1.00 0.00 C ATOM 647 O VAL A 46 4.776 -0.040 0.930 1.00 0.00 O ATOM 648 CB VAL A 46 2.370 -0.037 2.481 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.084 1.399 2.069 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.251 -0.582 3.355 1.00 0.00 C ATOM 0 H VAL A 46 3.363 -2.428 2.470 1.00 0.00 H new ATOM 0 HA VAL A 46 1.652 -0.921 0.648 1.00 0.00 H new ATOM 0 HB VAL A 46 3.292 -0.045 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.948 2.013 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.921 1.784 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.177 1.430 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.125 0.059 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.322 -0.605 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.502 -1.592 3.680 1.00 0.00 H new ATOM 660 N VAL A 47 3.489 -0.264 -0.902 1.00 0.00 N ATOM 661 CA VAL A 47 4.502 0.257 -1.812 1.00 0.00 C ATOM 662 C VAL A 47 4.310 1.750 -2.052 1.00 0.00 C ATOM 663 O VAL A 47 3.324 2.170 -2.658 1.00 0.00 O ATOM 664 CB VAL A 47 4.471 -0.478 -3.166 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.734 -0.185 -3.961 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.299 -1.975 -2.955 1.00 0.00 C ATOM 0 H VAL A 47 2.615 -0.533 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 47 5.469 0.090 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 47 3.618 -0.114 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.695 -0.712 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.809 0.887 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.605 -0.520 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.279 -2.479 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.131 -2.357 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.363 -2.163 -2.429 1.00 0.00 H new ATOM 676 N PHE A 48 5.259 2.547 -1.573 1.00 0.00 N ATOM 677 CA PHE A 48 5.194 3.995 -1.735 1.00 0.00 C ATOM 678 C PHE A 48 6.423 4.515 -2.476 1.00 0.00 C ATOM 679 O PHE A 48 7.557 4.189 -2.125 1.00 0.00 O ATOM 680 CB PHE A 48 5.081 4.678 -0.370 1.00 0.00 C ATOM 681 CG PHE A 48 6.236 4.384 0.544 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.433 3.107 1.045 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.125 5.384 0.903 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.494 2.834 1.887 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.188 5.117 1.745 1.00 0.00 C ATOM 686 CZ PHE A 48 8.374 3.840 2.236 1.00 0.00 C ATOM 0 H PHE A 48 6.082 2.215 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 48 4.309 4.230 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.009 5.756 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.157 4.359 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.749 2.316 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.986 6.384 0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.635 1.835 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.872 5.906 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.206 3.628 2.892 1.00 0.00 H new ATOM 696 N ARG A 49 6.188 5.325 -3.503 1.00 0.00 N ATOM 697 CA ARG A 49 7.274 5.888 -4.296 1.00 0.00 C ATOM 698 C ARG A 49 6.903 7.272 -4.820 1.00 0.00 C ATOM 699 O ARG A 49 5.732 7.561 -5.065 1.00 0.00 O ATOM 700 CB ARG A 49 7.615 4.963 -5.465 1.00 0.00 C ATOM 701 CG ARG A 49 8.437 5.633 -6.553 1.00 0.00 C ATOM 702 CD ARG A 49 8.633 4.715 -7.749 1.00 0.00 C ATOM 703 NE ARG A 49 7.397 4.528 -8.504 1.00 0.00 N ATOM 704 CZ ARG A 49 6.881 5.450 -9.309 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.491 6.617 -9.463 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.752 5.205 -9.963 1.00 0.00 N ATOM 0 H ARG A 49 5.255 5.606 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 49 8.148 5.984 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.163 4.100 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.690 4.586 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.940 6.549 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.408 5.921 -6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.398 5.131 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.999 3.747 -7.407 1.00 0.00 H new ATOM 0 HE ARG A 49 6.903 3.641 -8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.359 6.809 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.092 7.323 -10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.280 4.308 -9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.356 5.914 -10.581 1.00 0.00 H new ATOM 720 N ASP A 50 7.908 8.124 -4.989 1.00 0.00 N ATOM 721 CA ASP A 50 7.688 9.478 -5.484 1.00 0.00 C ATOM 722 C ASP A 50 7.540 9.483 -7.003 1.00 0.00 C ATOM 723 O ASP A 50 8.492 9.200 -7.730 1.00 0.00 O ATOM 724 CB ASP A 50 8.844 10.390 -5.069 1.00 0.00 C ATOM 725 CG ASP A 50 9.432 10.004 -3.726 1.00 0.00 C ATOM 726 OD1 ASP A 50 9.744 8.810 -3.537 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.580 10.896 -2.864 1.00 0.00 O ATOM 0 H ASP A 50 8.883 7.901 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 50 6.764 9.854 -5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.625 10.351 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.492 11.421 -5.026 1.00 0.00 H new ATOM 732 N ILE A 51 6.340 9.807 -7.474 1.00 0.00 N ATOM 733 CA ILE A 51 6.068 9.849 -8.905 1.00 0.00 C ATOM 734 C ILE A 51 6.944 10.885 -9.601 1.00 0.00 C ATOM 735 O ILE A 51 6.974 10.964 -10.828 1.00 0.00 O ATOM 736 CB ILE A 51 4.589 10.171 -9.188 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.212 11.521 -8.575 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.693 9.068 -8.643 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.939 12.109 -9.143 1.00 0.00 C ATOM 0 H ILE A 51 5.541 10.044 -6.885 1.00 0.00 H new ATOM 0 HA ILE A 51 6.298 8.859 -9.299 1.00 0.00 H new ATOM 0 HB ILE A 51 4.446 10.230 -10.267 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.098 11.402 -7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.030 12.224 -8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.651 9.310 -8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.948 8.122 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.838 8.981 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.734 13.065 -8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.055 12.260 -10.216 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.110 11.426 -8.960 1.00 0.00 H new ATOM 751 N ASN A 52 7.658 11.677 -8.808 1.00 0.00 N ATOM 752 CA ASN A 52 8.537 12.708 -9.348 1.00 0.00 C ATOM 753 C ASN A 52 9.987 12.235 -9.360 1.00 0.00 C ATOM 754 O ASN A 52 10.847 12.852 -9.989 1.00 0.00 O ATOM 755 CB ASN A 52 8.415 13.993 -8.526 1.00 0.00 C ATOM 756 CG ASN A 52 6.985 14.490 -8.438 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.239 13.977 -7.467 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.557 15.325 -9.234 1.00 0.00 N flip ATOM 0 H ASN A 52 7.645 11.625 -7.789 1.00 0.00 H new ATOM 0 HA ASN A 52 8.231 12.910 -10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.798 13.816 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.039 14.767 -8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.166 15.692 -9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.593 15.650 -9.163 1.00 0.00 H new ATOM 765 N SER A 53 10.251 11.135 -8.662 1.00 0.00 N ATOM 766 CA SER A 53 11.598 10.580 -8.590 1.00 0.00 C ATOM 767 C SER A 53 11.583 9.080 -8.868 1.00 0.00 C ATOM 768 O SER A 53 10.526 8.491 -9.095 1.00 0.00 O ATOM 769 CB SER A 53 12.210 10.849 -7.214 1.00 0.00 C ATOM 770 OG SER A 53 12.898 12.088 -7.196 1.00 0.00 O ATOM 0 H SER A 53 9.550 10.611 -8.138 1.00 0.00 H new ATOM 0 HA SER A 53 12.206 11.067 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.425 10.854 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.897 10.044 -6.954 1.00 0.00 H new ATOM 0 HG SER A 53 13.279 12.238 -6.305 1.00 0.00 H new ATOM 776 N GLN A 54 12.763 8.469 -8.848 1.00 0.00 N ATOM 777 CA GLN A 54 12.886 7.038 -9.098 1.00 0.00 C ATOM 778 C GLN A 54 13.200 6.285 -7.810 1.00 0.00 C ATOM 779 O GLN A 54 13.785 5.202 -7.840 1.00 0.00 O ATOM 780 CB GLN A 54 13.977 6.772 -10.137 1.00 0.00 C ATOM 781 CG GLN A 54 13.581 7.168 -11.550 1.00 0.00 C ATOM 782 CD GLN A 54 13.519 8.670 -11.740 1.00 0.00 C ATOM 783 OE1 GLN A 54 14.497 9.379 -11.502 1.00 0.00 O ATOM 784 NE2 GLN A 54 12.364 9.166 -12.171 1.00 0.00 N ATOM 0 H GLN A 54 13.647 8.942 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 54 11.932 6.679 -9.483 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.877 7.318 -9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.230 5.712 -10.123 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.297 6.746 -12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.609 6.736 -11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.578 8.542 -12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.263 10.170 -12.317 1.00 0.00 H new ATOM 793 N GLN A 55 12.808 6.865 -6.680 1.00 0.00 N ATOM 794 CA GLN A 55 13.049 6.249 -5.381 1.00 0.00 C ATOM 795 C GLN A 55 11.893 5.335 -4.989 1.00 0.00 C ATOM 796 O GLN A 55 10.863 5.797 -4.501 1.00 0.00 O ATOM 797 CB GLN A 55 13.250 7.324 -4.312 1.00 0.00 C ATOM 798 CG GLN A 55 13.416 6.763 -2.909 1.00 0.00 C ATOM 799 CD GLN A 55 14.662 5.912 -2.764 1.00 0.00 C ATOM 800 OE1 GLN A 55 14.574 4.656 -3.185 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 15.693 6.379 -2.278 1.00 0.00 N flip ATOM 0 H GLN A 55 12.322 7.761 -6.638 1.00 0.00 H new ATOM 0 HA GLN A 55 13.955 5.647 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.130 7.915 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.396 8.002 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.458 7.586 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.541 6.165 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.716 7.350 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.524 5.794 -2.186 1.00 0.00 H new ATOM 810 N GLU A 56 12.072 4.035 -5.207 1.00 0.00 N ATOM 811 CA GLU A 56 11.042 3.057 -4.878 1.00 0.00 C ATOM 812 C GLU A 56 11.210 2.551 -3.448 1.00 0.00 C ATOM 813 O GLU A 56 12.328 2.302 -2.993 1.00 0.00 O ATOM 814 CB GLU A 56 11.091 1.882 -5.856 1.00 0.00 C ATOM 815 CG GLU A 56 9.745 1.211 -6.070 1.00 0.00 C ATOM 816 CD GLU A 56 9.777 0.178 -7.179 1.00 0.00 C ATOM 817 OE1 GLU A 56 9.651 0.570 -8.358 1.00 0.00 O ATOM 818 OE2 GLU A 56 9.928 -1.022 -6.869 1.00 0.00 O ATOM 0 H GLU A 56 12.920 3.636 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 56 10.072 3.547 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.468 2.235 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.801 1.142 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.430 0.733 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.999 1.970 -6.307 1.00 0.00 H new ATOM 825 N LEU A 57 10.093 2.400 -2.745 1.00 0.00 N ATOM 826 CA LEU A 57 10.116 1.923 -1.366 1.00 0.00 C ATOM 827 C LEU A 57 8.868 1.104 -1.053 1.00 0.00 C ATOM 828 O LEU A 57 7.803 1.335 -1.625 1.00 0.00 O ATOM 829 CB LEU A 57 10.221 3.104 -0.399 1.00 0.00 C ATOM 830 CG LEU A 57 11.339 4.107 -0.684 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.066 5.425 0.024 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.686 3.540 -0.259 1.00 0.00 C ATOM 0 H LEU A 57 9.161 2.601 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 57 10.989 1.282 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.271 3.638 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.360 2.712 0.608 1.00 0.00 H new ATOM 0 HG LEU A 57 11.369 4.294 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.872 6.127 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.121 5.839 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.009 5.255 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.470 4.268 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.669 3.324 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.885 2.622 -0.812 1.00 0.00 H new ATOM 844 N GLN A 58 9.008 0.148 -0.140 1.00 0.00 N ATOM 845 CA GLN A 58 7.890 -0.704 0.250 1.00 0.00 C ATOM 846 C GLN A 58 7.961 -1.049 1.734 1.00 0.00 C ATOM 847 O GLN A 58 9.029 -0.998 2.343 1.00 0.00 O ATOM 848 CB GLN A 58 7.884 -1.986 -0.584 1.00 0.00 C ATOM 849 CG GLN A 58 7.667 -1.744 -2.069 1.00 0.00 C ATOM 850 CD GLN A 58 8.292 -2.822 -2.933 1.00 0.00 C ATOM 851 OE1 GLN A 58 9.371 -2.634 -3.495 1.00 0.00 O ATOM 852 NE2 GLN A 58 7.615 -3.959 -3.043 1.00 0.00 N ATOM 0 H GLN A 58 9.883 -0.056 0.343 1.00 0.00 H new ATOM 0 HA GLN A 58 6.966 -0.155 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.832 -2.505 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.100 -2.647 -0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.597 -1.695 -2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.088 -0.776 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.724 -4.071 -2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.986 -4.721 -3.611 1.00 0.00 H new ATOM 861 N ASN A 59 6.816 -1.400 2.311 1.00 0.00 N ATOM 862 CA ASN A 59 6.749 -1.752 3.724 1.00 0.00 C ATOM 863 C ASN A 59 5.874 -2.985 3.936 1.00 0.00 C ATOM 864 O ASN A 59 5.194 -3.441 3.017 1.00 0.00 O ATOM 865 CB ASN A 59 6.201 -0.578 4.539 1.00 0.00 C ATOM 866 CG ASN A 59 7.264 0.460 4.843 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.058 1.655 4.635 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.410 0.006 5.339 1.00 0.00 N ATOM 0 H ASN A 59 5.922 -1.448 1.821 1.00 0.00 H new ATOM 0 HA ASN A 59 7.759 -1.981 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.384 -0.108 3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.784 -0.952 5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.162 0.657 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.537 -0.994 5.496 1.00 0.00 H new ATOM 875 N ILE A 60 5.898 -3.517 5.153 1.00 0.00 N ATOM 876 CA ILE A 60 5.106 -4.695 5.486 1.00 0.00 C ATOM 877 C ILE A 60 4.438 -4.541 6.848 1.00 0.00 C ATOM 878 O ILE A 60 5.045 -4.045 7.798 1.00 0.00 O ATOM 879 CB ILE A 60 5.969 -5.970 5.491 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.703 -6.121 4.157 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.106 -7.193 5.769 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.725 -7.237 4.153 1.00 0.00 C ATOM 0 H ILE A 60 6.457 -3.152 5.924 1.00 0.00 H new ATOM 0 HA ILE A 60 4.339 -4.788 4.717 1.00 0.00 H new ATOM 0 HB ILE A 60 6.711 -5.885 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.973 -6.305 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.201 -5.182 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.730 -8.086 5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.625 -7.086 6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.343 -7.284 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.206 -7.286 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.477 -7.045 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.229 -8.185 4.361 1.00 0.00 H new ATOM 894 N THR A 61 3.183 -4.972 6.938 1.00 0.00 N ATOM 895 CA THR A 61 2.432 -4.883 8.184 1.00 0.00 C ATOM 896 C THR A 61 1.317 -5.921 8.229 1.00 0.00 C ATOM 897 O THR A 61 0.724 -6.257 7.202 1.00 0.00 O ATOM 898 CB THR A 61 1.820 -3.482 8.372 1.00 0.00 C ATOM 899 OG1 THR A 61 1.009 -3.456 9.552 1.00 0.00 O ATOM 900 CG2 THR A 61 0.982 -3.090 7.165 1.00 0.00 C ATOM 0 H THR A 61 2.666 -5.386 6.163 1.00 0.00 H new ATOM 0 HA THR A 61 3.137 -5.075 8.992 1.00 0.00 H new ATOM 0 HB THR A 61 2.635 -2.765 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.625 -2.562 9.665 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.561 -2.097 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.609 -3.081 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.174 -3.810 7.033 1.00 0.00 H new ATOM 908 N THR A 62 1.034 -6.428 9.425 1.00 0.00 N ATOM 909 CA THR A 62 -0.010 -7.429 9.603 1.00 0.00 C ATOM 910 C THR A 62 -1.370 -6.774 9.810 1.00 0.00 C ATOM 911 O THR A 62 -2.288 -7.386 10.356 1.00 0.00 O ATOM 912 CB THR A 62 0.292 -8.348 10.802 1.00 0.00 C ATOM 913 OG1 THR A 62 0.694 -7.564 11.931 1.00 0.00 O ATOM 914 CG2 THR A 62 1.387 -9.347 10.457 1.00 0.00 C ATOM 0 H THR A 62 1.514 -6.161 10.285 1.00 0.00 H new ATOM 0 HA THR A 62 -0.033 -8.027 8.692 1.00 0.00 H new ATOM 0 HB THR A 62 -0.616 -8.899 11.047 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.882 -8.155 12.689 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.583 -9.985 11.319 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.067 -9.962 9.616 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.297 -8.811 10.188 1.00 0.00 H new ATOM 922 N ASP A 63 -1.494 -5.527 9.369 1.00 0.00 N ATOM 923 CA ASP A 63 -2.745 -4.789 9.505 1.00 0.00 C ATOM 924 C ASP A 63 -3.195 -4.232 8.158 1.00 0.00 C ATOM 925 O ASP A 63 -2.404 -4.128 7.220 1.00 0.00 O ATOM 926 CB ASP A 63 -2.583 -3.650 10.513 1.00 0.00 C ATOM 927 CG ASP A 63 -2.878 -4.089 11.934 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.654 -5.052 12.109 1.00 0.00 O ATOM 929 OD2 ASP A 63 -2.332 -3.471 12.871 1.00 0.00 O ATOM 0 H ASP A 63 -0.744 -5.006 8.914 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.508 -5.478 9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.565 -3.263 10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.250 -2.832 10.243 1.00 0.00 H new ATOM 934 N THR A 64 -4.473 -3.876 8.068 1.00 0.00 N ATOM 935 CA THR A 64 -5.030 -3.332 6.836 1.00 0.00 C ATOM 936 C THR A 64 -4.691 -1.853 6.685 1.00 0.00 C ATOM 937 O THR A 64 -5.299 -1.146 5.882 1.00 0.00 O ATOM 938 CB THR A 64 -6.560 -3.504 6.787 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.109 -3.376 8.103 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.933 -4.859 6.205 1.00 0.00 C ATOM 0 H THR A 64 -5.142 -3.955 8.834 1.00 0.00 H new ATOM 0 HA THR A 64 -4.583 -3.890 6.014 1.00 0.00 H new ATOM 0 HB THR A 64 -6.972 -2.725 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.082 -3.485 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.018 -4.958 6.180 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.538 -4.941 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.511 -5.650 6.825 1.00 0.00 H new ATOM 948 N ARG A 65 -3.717 -1.392 7.462 1.00 0.00 N ATOM 949 CA ARG A 65 -3.298 0.004 7.415 1.00 0.00 C ATOM 950 C ARG A 65 -1.782 0.121 7.548 1.00 0.00 C ATOM 951 O ARG A 65 -1.093 -0.866 7.807 1.00 0.00 O ATOM 952 CB ARG A 65 -3.981 0.802 8.527 1.00 0.00 C ATOM 953 CG ARG A 65 -3.406 0.537 9.909 1.00 0.00 C ATOM 954 CD ARG A 65 -4.025 1.451 10.954 1.00 0.00 C ATOM 955 NE ARG A 65 -3.113 1.707 12.067 1.00 0.00 N ATOM 956 CZ ARG A 65 -3.512 2.124 13.263 1.00 0.00 C ATOM 957 NH1 ARG A 65 -4.800 2.331 13.501 1.00 0.00 N ATOM 958 NH2 ARG A 65 -2.622 2.334 14.224 1.00 0.00 N ATOM 0 H ARG A 65 -3.203 -1.964 8.132 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.594 0.414 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.895 1.866 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.044 0.563 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.581 -0.503 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.326 0.684 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.304 2.397 10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.942 1.000 11.333 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.115 1.557 11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.487 2.170 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.104 2.651 14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.631 2.175 14.044 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.929 2.654 15.142 1.00 0.00 H new ATOM 972 N PHE A 66 -1.270 1.334 7.369 1.00 0.00 N ATOM 973 CA PHE A 66 0.164 1.581 7.467 1.00 0.00 C ATOM 974 C PHE A 66 0.463 3.076 7.423 1.00 0.00 C ATOM 975 O PHE A 66 -0.357 3.873 6.966 1.00 0.00 O ATOM 976 CB PHE A 66 0.905 0.867 6.334 1.00 0.00 C ATOM 977 CG PHE A 66 2.398 0.871 6.498 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.025 -0.090 7.274 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.174 1.837 5.877 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.399 -0.090 7.426 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.548 1.842 6.026 1.00 0.00 C ATOM 982 CZ PHE A 66 5.161 0.878 6.802 1.00 0.00 C ATOM 0 H PHE A 66 -1.827 2.162 7.155 1.00 0.00 H new ATOM 0 HA PHE A 66 0.510 1.188 8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.557 -0.164 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.650 1.343 5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.434 -0.848 7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.700 2.594 5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.876 -0.846 8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.142 2.599 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.234 0.881 6.921 1.00 0.00 H new ATOM 992 N THR A 67 1.645 3.452 7.903 1.00 0.00 N ATOM 993 CA THR A 67 2.053 4.851 7.920 1.00 0.00 C ATOM 994 C THR A 67 3.456 5.022 7.349 1.00 0.00 C ATOM 995 O THR A 67 4.443 4.619 7.967 1.00 0.00 O ATOM 996 CB THR A 67 2.019 5.428 9.348 1.00 0.00 C ATOM 997 OG1 THR A 67 0.706 5.285 9.903 1.00 0.00 O ATOM 998 CG2 THR A 67 2.417 6.896 9.348 1.00 0.00 C ATOM 0 H THR A 67 2.336 2.807 8.285 1.00 0.00 H new ATOM 0 HA THR A 67 1.342 5.395 7.298 1.00 0.00 H new ATOM 0 HB THR A 67 2.733 4.874 9.957 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.693 5.653 10.811 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.386 7.281 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.427 6.999 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.724 7.461 8.725 1.00 0.00 H new ATOM 1006 N LEU A 68 3.540 5.621 6.167 1.00 0.00 N ATOM 1007 CA LEU A 68 4.824 5.846 5.512 1.00 0.00 C ATOM 1008 C LEU A 68 5.708 6.765 6.349 1.00 0.00 C ATOM 1009 O LEU A 68 5.277 7.298 7.372 1.00 0.00 O ATOM 1010 CB LEU A 68 4.611 6.451 4.123 1.00 0.00 C ATOM 1011 CG LEU A 68 4.000 5.521 3.073 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.370 4.075 3.361 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.488 5.688 3.028 1.00 0.00 C ATOM 0 H LEU A 68 2.734 5.960 5.642 1.00 0.00 H new ATOM 0 HA LEU A 68 5.326 4.884 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.968 7.325 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.573 6.804 3.751 1.00 0.00 H new ATOM 0 HG LEU A 68 4.404 5.790 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.927 3.428 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.454 3.966 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.995 3.792 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.070 5.019 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.066 5.446 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.243 6.719 2.773 1.00 0.00 H new ATOM 1025 N THR A 69 6.948 6.949 5.906 1.00 0.00 N ATOM 1026 CA THR A 69 7.893 7.804 6.613 1.00 0.00 C ATOM 1027 C THR A 69 9.040 8.227 5.702 1.00 0.00 C ATOM 1028 O THR A 69 9.218 7.676 4.616 1.00 0.00 O ATOM 1029 CB THR A 69 8.472 7.097 7.853 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.240 5.957 7.453 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.360 6.660 8.795 1.00 0.00 C ATOM 0 H THR A 69 7.321 6.517 5.061 1.00 0.00 H new ATOM 0 HA THR A 69 7.341 8.688 6.932 1.00 0.00 H new ATOM 0 HB THR A 69 9.116 7.802 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.606 5.514 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.793 6.163 9.663 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.795 7.533 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.694 5.970 8.277 1.00 0.00 H new ATOM 1039 N GLY A 70 9.816 9.209 6.151 1.00 0.00 N ATOM 1040 CA GLY A 70 10.936 9.688 5.364 1.00 0.00 C ATOM 1041 C GLY A 70 10.505 10.253 4.025 1.00 0.00 C ATOM 1042 O GLY A 70 11.239 10.165 3.040 1.00 0.00 O ATOM 0 H GLY A 70 9.688 9.681 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.468 10.457 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.637 8.870 5.201 1.00 0.00 H new ATOM 1046 N LEU A 71 9.310 10.833 3.987 1.00 0.00 N ATOM 1047 CA LEU A 71 8.780 11.413 2.758 1.00 0.00 C ATOM 1048 C LEU A 71 8.945 12.930 2.757 1.00 0.00 C ATOM 1049 O LEU A 71 9.074 13.552 3.811 1.00 0.00 O ATOM 1050 CB LEU A 71 7.304 11.049 2.594 1.00 0.00 C ATOM 1051 CG LEU A 71 6.905 9.643 3.044 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.395 9.537 3.191 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.422 8.602 2.061 1.00 0.00 C ATOM 0 H LEU A 71 8.690 10.914 4.793 1.00 0.00 H new ATOM 0 HA LEU A 71 9.344 11.004 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.708 11.770 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.037 11.162 1.543 1.00 0.00 H new ATOM 0 HG LEU A 71 7.358 9.452 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.131 8.529 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.050 10.257 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.920 9.749 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.129 7.607 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.999 8.791 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.509 8.661 2.007 1.00 0.00 H new ATOM 1065 N LYS A 72 8.937 13.519 1.566 1.00 0.00 N ATOM 1066 CA LYS A 72 9.082 14.964 1.426 1.00 0.00 C ATOM 1067 C LYS A 72 7.721 15.651 1.445 1.00 0.00 C ATOM 1068 O LYS A 72 6.737 15.150 0.899 1.00 0.00 O ATOM 1069 CB LYS A 72 9.816 15.299 0.126 1.00 0.00 C ATOM 1070 CG LYS A 72 9.755 16.771 -0.245 1.00 0.00 C ATOM 1071 CD LYS A 72 10.010 16.984 -1.728 1.00 0.00 C ATOM 1072 CE LYS A 72 11.496 17.104 -2.026 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.961 18.518 -1.966 1.00 0.00 N ATOM 0 H LYS A 72 8.832 13.018 0.684 1.00 0.00 H new ATOM 0 HA LYS A 72 9.666 15.330 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.860 15.000 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.388 14.710 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.777 17.173 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.494 17.324 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.590 16.152 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.497 17.886 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.060 16.506 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.702 16.695 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.979 18.558 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.441 19.084 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.788 18.900 -1.015 1.00 0.00 H new ATOM 1087 N PRO A 73 7.660 16.827 2.087 1.00 0.00 N ATOM 1088 CA PRO A 73 6.424 17.610 2.191 1.00 0.00 C ATOM 1089 C PRO A 73 6.002 18.207 0.853 1.00 0.00 C ATOM 1090 O PRO A 73 6.843 18.529 0.013 1.00 0.00 O ATOM 1091 CB PRO A 73 6.789 18.719 3.180 1.00 0.00 C ATOM 1092 CG PRO A 73 8.268 18.861 3.063 1.00 0.00 C ATOM 1093 CD PRO A 73 8.793 17.484 2.761 1.00 0.00 C ATOM 0 HA PRO A 73 5.579 16.998 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.281 19.652 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.496 18.455 4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.531 19.562 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.697 19.249 3.987 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.674 17.521 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.081 16.956 3.670 1.00 0.00 H new ATOM 1101 N ASP A 74 4.696 18.352 0.661 1.00 0.00 N ATOM 1102 CA ASP A 74 4.162 18.913 -0.575 1.00 0.00 C ATOM 1103 C ASP A 74 4.707 18.167 -1.789 1.00 0.00 C ATOM 1104 O ASP A 74 5.206 18.778 -2.735 1.00 0.00 O ATOM 1105 CB ASP A 74 4.507 20.399 -0.677 1.00 0.00 C ATOM 1106 CG ASP A 74 3.919 21.047 -1.915 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.692 20.929 -2.120 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.684 21.672 -2.678 1.00 0.00 O ATOM 0 H ASP A 74 3.987 18.089 1.345 1.00 0.00 H new ATOM 0 HA ASP A 74 3.078 18.801 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.139 20.916 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.590 20.517 -0.688 1.00 0.00 H new ATOM 1113 N THR A 75 4.608 16.841 -1.756 1.00 0.00 N ATOM 1114 CA THR A 75 5.093 16.012 -2.852 1.00 0.00 C ATOM 1115 C THR A 75 4.227 14.769 -3.025 1.00 0.00 C ATOM 1116 O THR A 75 3.961 14.046 -2.064 1.00 0.00 O ATOM 1117 CB THR A 75 6.553 15.579 -2.626 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.438 16.664 -2.926 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.903 14.379 -3.493 1.00 0.00 C ATOM 0 H THR A 75 4.196 16.319 -0.982 1.00 0.00 H new ATOM 0 HA THR A 75 5.038 16.619 -3.756 1.00 0.00 H new ATOM 0 HB THR A 75 6.666 15.296 -1.579 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.918 17.485 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.939 14.092 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.247 13.545 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.773 14.639 -4.544 1.00 0.00 H new ATOM 1127 N THR A 76 3.790 14.524 -4.257 1.00 0.00 N ATOM 1128 CA THR A 76 2.954 13.368 -4.555 1.00 0.00 C ATOM 1129 C THR A 76 3.719 12.067 -4.342 1.00 0.00 C ATOM 1130 O THR A 76 4.840 11.908 -4.825 1.00 0.00 O ATOM 1131 CB THR A 76 2.432 13.412 -6.003 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.708 14.627 -6.227 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.531 12.220 -6.290 1.00 0.00 C ATOM 0 H THR A 76 4.001 15.111 -5.064 1.00 0.00 H new ATOM 0 HA THR A 76 2.107 13.405 -3.870 1.00 0.00 H new ATOM 0 HB THR A 76 3.289 13.371 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.381 14.647 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.174 12.273 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.093 11.297 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.680 12.235 -5.610 1.00 0.00 H new ATOM 1141 N TYR A 77 3.106 11.138 -3.617 1.00 0.00 N ATOM 1142 CA TYR A 77 3.730 9.850 -3.339 1.00 0.00 C ATOM 1143 C TYR A 77 2.812 8.700 -3.744 1.00 0.00 C ATOM 1144 O TYR A 77 1.812 8.427 -3.081 1.00 0.00 O ATOM 1145 CB TYR A 77 4.079 9.739 -1.854 1.00 0.00 C ATOM 1146 CG TYR A 77 5.444 10.291 -1.510 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.576 9.488 -1.575 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.602 11.615 -1.119 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.826 9.987 -1.261 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.848 12.123 -0.805 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.956 11.305 -0.877 1.00 0.00 C ATOM 1152 OH TYR A 77 9.198 11.807 -0.563 1.00 0.00 O ATOM 0 H TYR A 77 2.177 11.253 -3.211 1.00 0.00 H new ATOM 0 HA TYR A 77 4.645 9.784 -3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.325 10.268 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.034 8.691 -1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.477 8.456 -1.876 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.736 12.258 -1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.695 9.349 -1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.954 13.155 -0.505 1.00 0.00 H new ATOM 0 HH TYR A 77 9.863 11.451 -1.189 1.00 0.00 H new ATOM 1162 N ASP A 78 3.161 8.031 -4.837 1.00 0.00 N ATOM 1163 CA ASP A 78 2.371 6.909 -5.331 1.00 0.00 C ATOM 1164 C ASP A 78 2.411 5.742 -4.350 1.00 0.00 C ATOM 1165 O ASP A 78 3.327 4.920 -4.384 1.00 0.00 O ATOM 1166 CB ASP A 78 2.886 6.459 -6.700 1.00 0.00 C ATOM 1167 CG ASP A 78 2.240 5.169 -7.165 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.429 4.134 -6.492 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.546 5.194 -8.202 1.00 0.00 O ATOM 0 H ASP A 78 3.985 8.246 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 78 1.337 7.240 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.694 7.243 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.967 6.324 -6.652 1.00 0.00 H new ATOM 1174 N ILE A 79 1.412 5.677 -3.476 1.00 0.00 N ATOM 1175 CA ILE A 79 1.333 4.610 -2.485 1.00 0.00 C ATOM 1176 C ILE A 79 0.242 3.607 -2.843 1.00 0.00 C ATOM 1177 O ILE A 79 -0.872 3.987 -3.204 1.00 0.00 O ATOM 1178 CB ILE A 79 1.059 5.170 -1.077 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.022 6.317 -0.763 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.183 4.067 -0.036 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.431 7.369 0.149 1.00 0.00 C ATOM 0 H ILE A 79 0.647 6.350 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 79 2.300 4.106 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 79 0.041 5.558 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.921 5.910 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.330 6.788 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.987 4.478 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.461 3.280 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.191 3.652 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.169 8.151 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.549 7.804 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.149 6.912 1.097 1.00 0.00 H new ATOM 1193 N LYS A 80 0.569 2.323 -2.740 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.383 1.263 -3.049 1.00 0.00 C ATOM 1195 C LYS A 80 -0.334 0.163 -1.994 1.00 0.00 C ATOM 1196 O LYS A 80 0.373 0.280 -0.992 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.090 0.673 -4.430 1.00 0.00 C ATOM 1198 CG LYS A 80 1.391 0.608 -4.762 1.00 0.00 C ATOM 1199 CD LYS A 80 1.637 0.782 -6.252 1.00 0.00 C ATOM 1200 CE LYS A 80 1.216 -0.453 -7.033 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.737 -0.431 -8.428 1.00 0.00 N ATOM 0 H LYS A 80 1.487 1.991 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.383 1.696 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.510 -0.331 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.597 1.271 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.923 1.384 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.796 -0.349 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.085 1.649 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.694 0.982 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.579 -1.346 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.128 -0.517 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.428 -1.290 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.371 0.408 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.776 -0.396 -8.410 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.087 -0.907 -2.225 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.127 -2.030 -1.296 1.00 0.00 C ATOM 1217 C VAL A 81 -1.446 -3.333 -2.021 1.00 0.00 C ATOM 1218 O VAL A 81 -1.941 -3.322 -3.148 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.172 -1.803 -0.187 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.527 -2.350 -0.610 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.713 -2.442 1.115 1.00 0.00 C ATOM 0 H VAL A 81 -1.678 -1.020 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.138 -2.103 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.275 -0.730 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.252 -2.181 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.857 -1.842 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.443 -3.419 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.463 -2.272 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.580 -3.514 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.767 -1.998 1.424 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.160 -4.453 -1.366 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.416 -5.765 -1.949 1.00 0.00 C ATOM 1233 C ARG A 82 -1.565 -6.824 -0.860 1.00 0.00 C ATOM 1234 O ARG A 82 -0.864 -6.791 0.151 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.283 -6.153 -2.901 1.00 0.00 C ATOM 1236 CG ARG A 82 1.022 -6.481 -2.194 1.00 0.00 C ATOM 1237 CD ARG A 82 1.906 -7.380 -3.044 1.00 0.00 C ATOM 1238 NE ARG A 82 2.810 -6.611 -3.895 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.933 -7.103 -4.407 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.288 -8.355 -4.155 1.00 0.00 N ATOM 1241 NH2 ARG A 82 4.704 -6.341 -5.173 1.00 0.00 N ATOM 0 H ARG A 82 -0.751 -4.479 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.350 -5.710 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.594 -7.016 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.112 -5.335 -3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.554 -5.558 -1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.809 -6.971 -1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.488 -8.035 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.281 -8.021 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 82 2.566 -5.644 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.698 -8.944 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.151 -8.730 -4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.435 -5.377 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.566 -6.719 -5.566 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.482 -7.760 -1.075 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.723 -8.829 -0.113 1.00 0.00 C ATOM 1257 C ALA A 83 -1.776 -10.001 -0.347 1.00 0.00 C ATOM 1258 O ALA A 83 -1.457 -10.335 -1.489 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.169 -9.294 -0.191 1.00 0.00 C ATOM 0 H ALA A 83 -3.071 -7.800 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.533 -8.435 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.334 -10.092 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.832 -8.459 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.378 -9.665 -1.194 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.329 -10.621 0.739 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.418 -11.756 0.651 1.00 0.00 C ATOM 1267 C TRP A 84 -1.048 -13.009 1.249 1.00 0.00 C ATOM 1268 O TRP A 84 -1.804 -12.934 2.218 1.00 0.00 O ATOM 1269 CB TRP A 84 0.895 -11.439 1.369 1.00 0.00 C ATOM 1270 CG TRP A 84 1.722 -10.404 0.666 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.421 -9.081 0.512 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.983 -10.609 0.021 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.420 -8.451 -0.190 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.390 -9.366 -0.502 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.810 -11.721 -0.164 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.586 -9.207 -1.198 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.996 -11.561 -0.855 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.375 -10.312 -1.364 1.00 0.00 C ATOM 0 H TRP A 84 -1.583 -10.357 1.691 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.213 -11.943 -0.403 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.674 -11.093 2.379 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.478 -12.355 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.529 -8.601 0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.437 -7.462 -0.439 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.527 -12.688 0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.880 -8.246 -1.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.642 -12.413 -1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.309 -10.220 -1.898 1.00 0.00 H new ATOM 1289 N THR A 85 -0.733 -14.161 0.666 1.00 0.00 N ATOM 1290 CA THR A 85 -1.270 -15.430 1.141 1.00 0.00 C ATOM 1291 C THR A 85 -0.152 -16.383 1.546 1.00 0.00 C ATOM 1292 O THR A 85 1.027 -16.098 1.333 1.00 0.00 O ATOM 1293 CB THR A 85 -2.143 -16.107 0.068 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.428 -16.181 -1.171 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.442 -15.342 -0.136 1.00 0.00 C ATOM 0 H THR A 85 -0.108 -14.241 -0.136 1.00 0.00 H new ATOM 0 HA THR A 85 -1.886 -15.206 2.012 1.00 0.00 H new ATOM 0 HB THR A 85 -2.383 -17.114 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.722 -16.970 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.041 -15.840 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.998 -15.313 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.219 -14.325 -0.457 1.00 0.00 H new ATOM 1303 N SER A 86 -0.529 -17.516 2.130 1.00 0.00 N ATOM 1304 CA SER A 86 0.444 -18.511 2.568 1.00 0.00 C ATOM 1305 C SER A 86 1.373 -18.903 1.423 1.00 0.00 C ATOM 1306 O SER A 86 2.493 -19.363 1.645 1.00 0.00 O ATOM 1307 CB SER A 86 -0.271 -19.751 3.107 1.00 0.00 C ATOM 1308 OG SER A 86 -0.909 -20.466 2.063 1.00 0.00 O ATOM 0 H SER A 86 -1.501 -17.768 2.311 1.00 0.00 H new ATOM 0 HA SER A 86 1.044 -18.071 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.447 -20.399 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.009 -19.454 3.852 1.00 0.00 H new ATOM 0 HG SER A 86 -1.357 -21.255 2.433 1.00 0.00 H new ATOM 1314 N LYS A 87 0.899 -18.717 0.195 1.00 0.00 N ATOM 1315 CA LYS A 87 1.685 -19.049 -0.987 1.00 0.00 C ATOM 1316 C LYS A 87 2.669 -17.932 -1.318 1.00 0.00 C ATOM 1317 O LYS A 87 3.880 -18.148 -1.355 1.00 0.00 O ATOM 1318 CB LYS A 87 0.764 -19.303 -2.183 1.00 0.00 C ATOM 1319 CG LYS A 87 0.091 -20.664 -2.154 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.259 -20.604 -1.460 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.386 -20.363 -2.452 1.00 0.00 C ATOM 1322 NZ LYS A 87 -3.725 -20.492 -1.814 1.00 0.00 N ATOM 0 H LYS A 87 -0.026 -18.338 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 87 2.251 -19.956 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.002 -18.529 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.343 -19.213 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.039 -21.028 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.734 -21.378 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.436 -21.538 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.252 -19.808 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.284 -19.367 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.305 -21.075 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.390 -19.832 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.072 -21.466 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.650 -20.268 -0.801 1.00 0.00 H new ATOM 1336 N GLY A 88 2.141 -16.735 -1.557 1.00 0.00 N ATOM 1337 CA GLY A 88 2.987 -15.602 -1.880 1.00 0.00 C ATOM 1338 C GLY A 88 2.218 -14.296 -1.921 1.00 0.00 C ATOM 1339 O GLY A 88 1.588 -13.908 -0.936 1.00 0.00 O ATOM 0 H GLY A 88 1.142 -16.530 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.785 -15.527 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.462 -15.771 -2.847 1.00 0.00 H new ATOM 1343 N SER A 89 2.269 -13.616 -3.061 1.00 0.00 N ATOM 1344 CA SER A 89 1.575 -12.343 -3.224 1.00 0.00 C ATOM 1345 C SER A 89 0.624 -12.392 -4.415 1.00 0.00 C ATOM 1346 O SER A 89 0.565 -13.386 -5.137 1.00 0.00 O ATOM 1347 CB SER A 89 2.584 -11.208 -3.408 1.00 0.00 C ATOM 1348 OG SER A 89 3.181 -11.260 -4.692 1.00 0.00 O ATOM 0 H SER A 89 2.783 -13.925 -3.886 1.00 0.00 H new ATOM 0 HA SER A 89 0.991 -12.157 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.085 -10.248 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.356 -11.276 -2.641 1.00 0.00 H new ATOM 0 HG SER A 89 4.089 -10.894 -4.646 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.121 -11.308 -4.615 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.060 -11.246 -5.719 1.00 0.00 C ATOM 1356 C GLY A 90 -0.958 -9.948 -6.495 1.00 0.00 C ATOM 1357 O GLY A 90 0.132 -9.437 -6.752 1.00 0.00 O ATOM 0 H GLY A 90 -0.090 -10.472 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.880 -12.084 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.074 -11.358 -5.336 1.00 0.00 H new ATOM 1361 N PRO A 91 -2.117 -9.394 -6.883 1.00 0.00 N ATOM 1362 CA PRO A 91 -2.180 -8.140 -7.640 1.00 0.00 C ATOM 1363 C PRO A 91 -1.771 -6.934 -6.801 1.00 0.00 C ATOM 1364 O PRO A 91 -1.580 -7.044 -5.589 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.655 -8.040 -8.037 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.380 -8.830 -7.003 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.454 -9.947 -6.611 1.00 0.00 C ATOM 0 HA PRO A 91 -1.495 -8.141 -8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.992 -7.003 -8.051 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.825 -8.444 -9.035 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.630 -8.210 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.318 -9.221 -7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.571 -10.216 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.642 -10.848 -7.194 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.638 -5.784 -7.453 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.252 -4.556 -6.766 1.00 0.00 C ATOM 1377 C LEU A 92 -2.361 -3.513 -6.850 1.00 0.00 C ATOM 1378 O LEU A 92 -2.785 -3.130 -7.940 1.00 0.00 O ATOM 1379 CB LEU A 92 0.038 -3.996 -7.369 1.00 0.00 C ATOM 1380 CG LEU A 92 1.340 -4.451 -6.709 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.515 -4.249 -7.653 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.567 -3.702 -5.404 1.00 0.00 C ATOM 0 H LEU A 92 -1.792 -5.676 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.082 -4.794 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.073 -4.272 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.007 -2.908 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 92 1.259 -5.515 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.433 -4.578 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.357 -4.831 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.599 -3.193 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.498 -4.039 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.627 -2.632 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.738 -3.898 -4.723 1.00 0.00 H new ATOM 1394 N SER A 93 -2.826 -3.056 -5.692 1.00 0.00 N ATOM 1395 CA SER A 93 -3.887 -2.058 -5.634 1.00 0.00 C ATOM 1396 C SER A 93 -3.481 -0.790 -6.379 1.00 0.00 C ATOM 1397 O SER A 93 -2.299 -0.485 -6.540 1.00 0.00 O ATOM 1398 CB SER A 93 -4.223 -1.723 -4.180 1.00 0.00 C ATOM 1399 OG SER A 93 -3.367 -0.711 -3.678 1.00 0.00 O ATOM 0 H SER A 93 -2.484 -3.361 -4.781 1.00 0.00 H new ATOM 0 HA SER A 93 -4.771 -2.475 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.260 -1.394 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.130 -2.619 -3.566 1.00 0.00 H new ATOM 0 HG SER A 93 -3.601 0.148 -4.087 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.485 -0.032 -6.846 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.259 1.216 -7.582 1.00 0.00 C ATOM 1407 C PRO A 94 -3.707 2.323 -6.689 1.00 0.00 C ATOM 1408 O PRO A 94 -4.369 2.763 -5.750 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.654 1.585 -8.091 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.592 0.935 -7.133 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.918 -0.335 -6.691 1.00 0.00 C ATOM 0 HA PRO A 94 -3.520 1.095 -8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.795 2.666 -8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.813 1.224 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.794 1.586 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.550 0.724 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.167 -0.584 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.218 -1.184 -7.305 1.00 0.00 H new ATOM 1419 N SER A 95 -2.492 2.769 -6.990 1.00 0.00 N ATOM 1420 CA SER A 95 -1.850 3.823 -6.213 1.00 0.00 C ATOM 1421 C SER A 95 -2.786 5.015 -6.038 1.00 0.00 C ATOM 1422 O SER A 95 -3.642 5.276 -6.885 1.00 0.00 O ATOM 1423 CB SER A 95 -0.556 4.271 -6.893 1.00 0.00 C ATOM 1424 OG SER A 95 -0.621 4.072 -8.295 1.00 0.00 O ATOM 0 H SER A 95 -1.932 2.417 -7.766 1.00 0.00 H new ATOM 0 HA SER A 95 -1.613 3.422 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.376 5.325 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.286 3.714 -6.482 1.00 0.00 H new ATOM 0 HG SER A 95 0.038 4.647 -8.738 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.617 5.735 -4.934 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.445 6.900 -4.648 1.00 0.00 C ATOM 1432 C ILE A 96 -2.675 8.194 -4.887 1.00 0.00 C ATOM 1433 O ILE A 96 -3.267 9.239 -5.153 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.959 6.882 -3.196 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.856 6.408 -2.248 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.186 5.990 -3.079 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.251 6.459 -0.788 1.00 0.00 C ATOM 0 H ILE A 96 -1.914 5.532 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.297 6.856 -5.327 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.244 7.896 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.581 5.385 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.969 7.024 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.537 5.988 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.974 6.368 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.927 4.974 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.421 6.109 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.498 7.485 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.119 5.820 -0.623 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.351 8.114 -4.793 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.500 9.279 -5.000 1.00 0.00 C ATOM 1451 C GLN A 97 -0.823 10.376 -3.991 1.00 0.00 C ATOM 1452 O GLN A 97 -0.989 11.540 -4.356 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.669 9.814 -6.424 1.00 0.00 C ATOM 1454 CG GLN A 97 0.296 9.198 -7.424 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.290 9.103 -8.818 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.820 10.079 -9.349 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.199 7.923 -9.420 1.00 0.00 N ATOM 0 H GLN A 97 -0.846 7.255 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 97 0.535 8.971 -4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.691 9.627 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.530 10.895 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.208 9.794 -7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.578 8.202 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.249 7.140 -8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.577 7.799 -10.359 1.00 0.00 H new ATOM 1466 N SER A 98 -0.910 9.997 -2.720 1.00 0.00 N ATOM 1467 CA SER A 98 -1.217 10.948 -1.658 1.00 0.00 C ATOM 1468 C SER A 98 -0.042 11.891 -1.417 1.00 0.00 C ATOM 1469 O SER A 98 1.000 11.484 -0.904 1.00 0.00 O ATOM 1470 CB SER A 98 -1.563 10.206 -0.365 1.00 0.00 C ATOM 1471 OG SER A 98 -2.471 10.955 0.424 1.00 0.00 O ATOM 0 H SER A 98 -0.772 9.038 -2.401 1.00 0.00 H new ATOM 0 HA SER A 98 -2.077 11.540 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.998 9.236 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.653 10.016 0.204 1.00 0.00 H new ATOM 0 HG SER A 98 -3.294 10.439 0.555 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.220 13.154 -1.792 1.00 0.00 N ATOM 1478 CA ARG A 99 0.825 14.156 -1.619 1.00 0.00 C ATOM 1479 C ARG A 99 0.864 14.657 -0.178 1.00 0.00 C ATOM 1480 O ARG A 99 -0.061 15.326 0.284 1.00 0.00 O ATOM 1481 CB ARG A 99 0.598 15.331 -2.572 1.00 0.00 C ATOM 1482 CG ARG A 99 1.473 16.537 -2.273 1.00 0.00 C ATOM 1483 CD ARG A 99 1.240 17.657 -3.275 1.00 0.00 C ATOM 1484 NE ARG A 99 0.183 18.567 -2.843 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.525 19.319 -3.677 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -0.290 19.271 -4.981 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.471 20.123 -3.208 1.00 0.00 N ATOM 0 H ARG A 99 -1.077 13.507 -2.217 1.00 0.00 H new ATOM 0 HA ARG A 99 1.783 13.689 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.786 15.001 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.449 15.631 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.264 16.899 -1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.522 16.241 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.165 18.216 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.977 17.229 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.023 18.628 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.436 18.655 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.836 19.850 -5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.655 20.164 -2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.014 20.700 -3.850 1.00 0.00 H new ATOM 1501 N THR A 100 1.941 14.329 0.529 1.00 0.00 N ATOM 1502 CA THR A 100 2.101 14.744 1.917 1.00 0.00 C ATOM 1503 C THR A 100 1.617 16.174 2.122 1.00 0.00 C ATOM 1504 O THR A 100 1.587 16.970 1.184 1.00 0.00 O ATOM 1505 CB THR A 100 3.570 14.641 2.369 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.398 15.452 1.529 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.050 13.198 2.322 1.00 0.00 C ATOM 0 H THR A 100 2.716 13.777 0.162 1.00 0.00 H new ATOM 0 HA THR A 100 1.495 14.068 2.521 1.00 0.00 H new ATOM 0 HB THR A 100 3.637 14.996 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.307 15.086 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.090 13.150 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.435 12.588 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.969 12.821 1.303 1.00 0.00 H new ATOM 1515 N MET A 101 1.239 16.495 3.356 1.00 0.00 N ATOM 1516 CA MET A 101 0.758 17.832 3.684 1.00 0.00 C ATOM 1517 C MET A 101 1.870 18.864 3.527 1.00 0.00 C ATOM 1518 O MET A 101 3.023 18.629 3.891 1.00 0.00 O ATOM 1519 CB MET A 101 0.214 17.865 5.113 1.00 0.00 C ATOM 1520 CG MET A 101 1.265 18.209 6.156 1.00 0.00 C ATOM 1521 SD MET A 101 0.561 18.455 7.797 1.00 0.00 S ATOM 1522 CE MET A 101 -0.490 17.011 7.935 1.00 0.00 C ATOM 0 H MET A 101 1.257 15.848 4.144 1.00 0.00 H new ATOM 0 HA MET A 101 -0.045 18.082 2.991 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.594 18.595 5.169 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.218 16.893 5.351 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.004 17.409 6.198 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.791 19.114 5.851 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.373 16.569 8.924 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.530 17.303 7.789 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.208 16.282 7.176 1.00 0.00 H new ATOM 1532 N PRO A 102 1.520 20.034 2.972 1.00 0.00 N ATOM 1533 CA PRO A 102 2.474 21.124 2.755 1.00 0.00 C ATOM 1534 C PRO A 102 2.927 21.767 4.061 1.00 0.00 C ATOM 1535 O PRO A 102 2.233 22.617 4.620 1.00 0.00 O ATOM 1536 CB PRO A 102 1.682 22.127 1.912 1.00 0.00 C ATOM 1537 CG PRO A 102 0.255 21.858 2.246 1.00 0.00 C ATOM 1538 CD PRO A 102 0.164 20.382 2.515 1.00 0.00 C ATOM 0 HA PRO A 102 3.390 20.774 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.959 23.153 2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.873 21.988 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.057 22.433 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.399 22.146 1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.586 20.157 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.113 19.827 1.619 1.00 0.00 H new ATOM 1546 N VAL A 103 4.096 21.357 4.544 1.00 0.00 N ATOM 1547 CA VAL A 103 4.642 21.895 5.785 1.00 0.00 C ATOM 1548 C VAL A 103 4.502 23.412 5.835 1.00 0.00 C ATOM 1549 O VAL A 103 4.342 23.996 6.906 1.00 0.00 O ATOM 1550 CB VAL A 103 6.127 21.521 5.952 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.926 21.947 4.730 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.694 22.149 7.216 1.00 0.00 C ATOM 0 H VAL A 103 4.683 20.654 4.095 1.00 0.00 H new ATOM 0 HA VAL A 103 4.070 21.454 6.601 1.00 0.00 H new ATOM 0 HB VAL A 103 6.203 20.438 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.973 21.674 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.533 21.446 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.846 23.026 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.744 21.875 7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.607 23.234 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.138 21.789 8.082 1.00 0.00 H new TER 1562 VAL A 103