USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 921 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 42 SER OG : rot 88:sc= 1.09 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.0204 K(o=2.2,f=-1.1) USER MOD Set 1.3: A 79 LYS NZ :NH3+ -169:sc= 1.14 (180deg=1.12) USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc=-0.00622 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -0.0247 X(o=-0.031,f=0.18) USER MOD Set 3.1: A 27 TYR OH : rot -170:sc= -0.143 USER MOD Set 3.2: A 46 MET CE :methyl -155:sc= -0.203 (180deg=-1.97) USER MOD Set 4.1: A 12 ASN : amide:sc= -0.248! K(o=1.7!,f=-0.47) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 165:sc= 1.92 (180deg=1.53) USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 17 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Set 6.1: A 6 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0) USER MOD Set 6.2: A 10 GLN : amide:sc= 1.04 K(o=2.3,f=-5.2) USER MOD Set 7.1: A 1 MET N :NH3+ -121:sc= 0.946 (180deg=0) USER MOD Set 7.2: A 3 GLN : amide:sc= 1.13 K(o=2.1,f=-6.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.248 K(o=-0.25,f=-3.1!) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 3.24 (180deg=3.15) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 26 CYS SG : rot 69:sc= 0.724 USER MOD Single : A 29 GLN : amide:sc= 0.711 K(o=0.71,f=-0.19) USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= 0.825 K(o=0.83,f=0.3) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 170:sc= 1.13 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 0.0684 (180deg=-0.247!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 59 GLN : amide:sc= -0.808 X(o=-0.81,f=-1.1) USER MOD Single : A 60 MET CE :methyl 179:sc= -0.279 (180deg=-0.285) USER MOD Single : A 61 CYS SG : rot 71:sc= 0.701 USER MOD Single : A 62 GLN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.255 F(o=-0.51,f=0.25) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -96:sc= 0.11 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.000178 X(o=-0.00018,f=0) USER MOD Single : A 82 TYR OH : rot 21:sc= 1.3 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.506 K(o=0.51,f=-3.3!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 73:sc= 1.25 USER MOD Single : B -4 MET CE :methyl -174:sc=-0.00213 (180deg=-0.0734) USER MOD Single : B -4 MET N :NH3+ -109:sc= 0.0694 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.417 13.662 -12.576 1.00 0.00 N ATOM 2 CA MET A 1 14.181 12.866 -12.742 1.00 0.00 C ATOM 3 C MET A 1 14.334 11.464 -12.165 1.00 0.00 C ATOM 4 O MET A 1 13.623 11.104 -11.228 1.00 0.00 O ATOM 5 CB MET A 1 13.697 12.852 -14.204 1.00 0.00 C ATOM 6 CG MET A 1 12.453 11.980 -14.418 1.00 0.00 C ATOM 7 SD MET A 1 11.055 12.342 -13.321 1.00 0.00 S ATOM 8 CE MET A 1 9.933 11.015 -13.831 1.00 0.00 C ATOM 0 H1 MET A 1 15.208 14.517 -12.021 1.00 0.00 H new ATOM 0 H2 MET A 1 16.132 13.093 -12.079 1.00 0.00 H new ATOM 0 H3 MET A 1 15.781 13.936 -13.511 1.00 0.00 H new ATOM 0 HA MET A 1 13.398 13.358 -12.165 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.476 13.872 -14.517 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.502 12.489 -14.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.123 12.094 -15.450 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.735 10.935 -14.287 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.009 11.079 -13.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.708 11.117 -14.893 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.406 10.050 -13.651 1.00 0.00 H new ATOM 19 N SER A 2 15.235 10.637 -12.704 1.00 0.00 N ATOM 20 CA SER A 2 15.351 9.215 -12.329 1.00 0.00 C ATOM 21 C SER A 2 15.794 8.998 -10.872 1.00 0.00 C ATOM 22 O SER A 2 15.500 7.961 -10.277 1.00 0.00 O ATOM 23 CB SER A 2 16.310 8.512 -13.293 1.00 0.00 C ATOM 24 OG SER A 2 15.823 8.659 -14.617 1.00 0.00 O ATOM 0 H SER A 2 15.907 10.930 -13.413 1.00 0.00 H new ATOM 0 HA SER A 2 14.354 8.781 -12.404 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.309 8.940 -13.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.394 7.456 -13.038 1.00 0.00 H new ATOM 0 HG SER A 2 16.433 8.213 -15.241 1.00 0.00 H new ATOM 30 N GLN A 3 16.408 10.010 -10.255 1.00 0.00 N ATOM 31 CA GLN A 3 16.737 10.060 -8.832 1.00 0.00 C ATOM 32 C GLN A 3 15.468 10.039 -7.962 1.00 0.00 C ATOM 33 O GLN A 3 15.392 9.284 -6.993 1.00 0.00 O ATOM 34 CB GLN A 3 17.554 11.327 -8.524 1.00 0.00 C ATOM 35 CG GLN A 3 18.858 11.495 -9.330 1.00 0.00 C ATOM 36 CD GLN A 3 18.696 12.028 -10.757 1.00 0.00 C ATOM 37 OE1 GLN A 3 17.613 12.353 -11.231 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.774 12.112 -11.500 1.00 0.00 N ATOM 0 H GLN A 3 16.701 10.850 -10.755 1.00 0.00 H new ATOM 0 HA GLN A 3 17.329 9.176 -8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.923 12.197 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.802 11.328 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.517 12.170 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.360 10.529 -9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.680 11.844 -11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.706 12.445 -12.462 1.00 0.00 H new ATOM 47 N PHE A 4 14.419 10.784 -8.330 1.00 0.00 N ATOM 48 CA PHE A 4 13.153 10.754 -7.587 1.00 0.00 C ATOM 49 C PHE A 4 12.350 9.459 -7.783 1.00 0.00 C ATOM 50 O PHE A 4 11.471 9.153 -6.975 1.00 0.00 O ATOM 51 CB PHE A 4 12.363 12.055 -7.799 1.00 0.00 C ATOM 52 CG PHE A 4 10.896 11.928 -8.178 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.526 11.494 -9.467 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.897 12.291 -7.256 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.169 11.419 -9.826 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.539 12.213 -7.614 1.00 0.00 C ATOM 57 CZ PHE A 4 8.175 11.783 -8.903 1.00 0.00 C ATOM 0 H PHE A 4 14.421 11.412 -9.134 1.00 0.00 H new ATOM 0 HA PHE A 4 13.393 10.721 -6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.425 12.640 -6.881 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.864 12.630 -8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.288 11.218 -10.181 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.174 12.631 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.890 11.081 -10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.776 12.483 -6.899 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.133 11.733 -9.182 1.00 0.00 H new ATOM 67 N GLU A 5 12.680 8.652 -8.794 1.00 0.00 N ATOM 68 CA GLU A 5 12.222 7.268 -8.917 1.00 0.00 C ATOM 69 C GLU A 5 13.082 6.327 -8.036 1.00 0.00 C ATOM 70 O GLU A 5 12.525 5.582 -7.228 1.00 0.00 O ATOM 71 CB GLU A 5 12.178 6.868 -10.403 1.00 0.00 C ATOM 72 CG GLU A 5 11.271 7.744 -11.299 1.00 0.00 C ATOM 73 CD GLU A 5 9.767 7.428 -11.207 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.183 7.407 -10.095 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.120 7.228 -12.265 1.00 0.00 O ATOM 0 H GLU A 5 13.283 8.948 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 5 11.204 7.172 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.192 6.900 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.840 5.834 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.424 8.790 -11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.589 7.629 -12.335 1.00 0.00 H new ATOM 83 N LYS A 6 14.428 6.426 -8.059 1.00 0.00 N ATOM 84 CA LYS A 6 15.298 5.566 -7.217 1.00 0.00 C ATOM 85 C LYS A 6 15.053 5.765 -5.721 1.00 0.00 C ATOM 86 O LYS A 6 15.078 4.788 -4.972 1.00 0.00 O ATOM 87 CB LYS A 6 16.798 5.667 -7.608 1.00 0.00 C ATOM 88 CG LYS A 6 17.683 6.723 -6.903 1.00 0.00 C ATOM 89 CD LYS A 6 18.286 6.304 -5.546 1.00 0.00 C ATOM 90 CE LYS A 6 19.037 7.484 -4.909 1.00 0.00 C ATOM 91 NZ LYS A 6 19.566 7.150 -3.564 1.00 0.00 N ATOM 0 H LYS A 6 14.937 7.087 -8.646 1.00 0.00 H new ATOM 0 HA LYS A 6 15.006 4.537 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.250 4.690 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.847 5.858 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.500 6.990 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.088 7.624 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.494 5.965 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.967 5.464 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.861 7.781 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.367 8.340 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.960 8.006 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.797 6.778 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.313 6.432 -3.653 1.00 0.00 H new ATOM 105 N GLN A 7 14.790 7.004 -5.290 1.00 0.00 N ATOM 106 CA GLN A 7 14.604 7.357 -3.880 1.00 0.00 C ATOM 107 C GLN A 7 13.254 6.879 -3.309 1.00 0.00 C ATOM 108 O GLN A 7 13.157 6.639 -2.105 1.00 0.00 O ATOM 109 CB GLN A 7 14.890 8.863 -3.686 1.00 0.00 C ATOM 110 CG GLN A 7 13.680 9.806 -3.719 1.00 0.00 C ATOM 111 CD GLN A 7 14.095 11.277 -3.685 1.00 0.00 C ATOM 112 OE1 GLN A 7 13.779 12.063 -4.568 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.799 11.746 -2.684 1.00 0.00 N ATOM 0 H GLN A 7 14.699 7.800 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 7 15.331 6.811 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.396 8.992 -2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.588 9.179 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.097 9.615 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.032 9.593 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.084 11.126 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.062 12.731 -2.663 1.00 0.00 H new ATOM 122 N LYS A 8 12.224 6.671 -4.149 1.00 0.00 N ATOM 123 CA LYS A 8 10.932 6.102 -3.711 1.00 0.00 C ATOM 124 C LYS A 8 10.934 4.565 -3.658 1.00 0.00 C ATOM 125 O LYS A 8 10.311 4.001 -2.762 1.00 0.00 O ATOM 126 CB LYS A 8 9.749 6.701 -4.502 1.00 0.00 C ATOM 127 CG LYS A 8 9.719 6.323 -5.991 1.00 0.00 C ATOM 128 CD LYS A 8 8.361 6.561 -6.666 1.00 0.00 C ATOM 129 CE LYS A 8 7.906 8.019 -6.806 1.00 0.00 C ATOM 130 NZ LYS A 8 8.795 8.783 -7.716 1.00 0.00 N ATOM 0 H LYS A 8 12.261 6.890 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 8 10.786 6.405 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.817 6.375 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.785 7.787 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.481 6.898 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.986 5.271 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.394 6.118 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.601 6.020 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.885 8.047 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.895 8.493 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.360 9.702 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.715 8.936 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.934 8.247 -8.596 1.00 0.00 H new ATOM 144 N GLU A 9 11.691 3.889 -4.528 1.00 0.00 N ATOM 145 CA GLU A 9 11.935 2.438 -4.425 1.00 0.00 C ATOM 146 C GLU A 9 12.825 2.108 -3.212 1.00 0.00 C ATOM 147 O GLU A 9 12.488 1.239 -2.407 1.00 0.00 O ATOM 148 CB GLU A 9 12.601 1.909 -5.707 1.00 0.00 C ATOM 149 CG GLU A 9 11.746 2.044 -6.973 1.00 0.00 C ATOM 150 CD GLU A 9 10.452 1.222 -6.957 1.00 0.00 C ATOM 151 OE1 GLU A 9 9.405 1.789 -7.360 1.00 0.00 O ATOM 152 OE2 GLU A 9 10.478 0.014 -6.604 1.00 0.00 O ATOM 0 H GLU A 9 12.154 4.327 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 9 10.969 1.951 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.539 2.442 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.851 0.858 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.492 3.095 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.343 1.742 -7.833 1.00 0.00 H new ATOM 160 N GLN A 10 13.908 2.876 -3.027 1.00 0.00 N ATOM 161 CA GLN A 10 14.739 2.877 -1.816 1.00 0.00 C ATOM 162 C GLN A 10 13.867 3.046 -0.565 1.00 0.00 C ATOM 163 O GLN A 10 13.963 2.255 0.372 1.00 0.00 O ATOM 164 CB GLN A 10 15.751 4.030 -1.942 1.00 0.00 C ATOM 165 CG GLN A 10 16.658 4.246 -0.723 1.00 0.00 C ATOM 166 CD GLN A 10 17.502 5.516 -0.841 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.529 6.211 -1.853 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.213 5.876 0.199 1.00 0.00 N ATOM 0 H GLN A 10 14.239 3.531 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 10 15.266 1.928 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.380 3.846 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.203 4.952 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.045 4.303 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.316 3.385 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.200 5.309 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.779 6.724 0.161 1.00 0.00 H new ATOM 177 N GLY A 11 12.956 4.024 -0.579 1.00 0.00 N ATOM 178 CA GLY A 11 12.010 4.269 0.505 1.00 0.00 C ATOM 179 C GLY A 11 11.121 3.073 0.865 1.00 0.00 C ATOM 180 O GLY A 11 10.666 3.020 2.004 1.00 0.00 O ATOM 0 H GLY A 11 12.857 4.676 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.566 4.570 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.372 5.108 0.229 1.00 0.00 H new ATOM 184 N ASN A 12 10.861 2.111 -0.030 1.00 0.00 N ATOM 185 CA ASN A 12 10.134 0.882 0.321 1.00 0.00 C ATOM 186 C ASN A 12 11.093 -0.232 0.778 1.00 0.00 C ATOM 187 O ASN A 12 10.847 -0.879 1.795 1.00 0.00 O ATOM 188 CB ASN A 12 9.227 0.446 -0.843 1.00 0.00 C ATOM 189 CG ASN A 12 8.113 -0.501 -0.405 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.824 -0.695 0.766 1.00 0.00 O ATOM 191 ND2 ASN A 12 7.439 -1.125 -1.336 1.00 0.00 N ATOM 0 H ASN A 12 11.145 2.160 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 12 9.489 1.091 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.786 1.330 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.833 -0.042 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.685 -1.762 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.667 -0.974 -2.319 1.00 0.00 H new ATOM 198 N SER A 13 12.235 -0.402 0.098 1.00 0.00 N ATOM 199 CA SER A 13 13.271 -1.376 0.484 1.00 0.00 C ATOM 200 C SER A 13 13.784 -1.147 1.914 1.00 0.00 C ATOM 201 O SER A 13 14.002 -2.100 2.669 1.00 0.00 O ATOM 202 CB SER A 13 14.437 -1.318 -0.506 1.00 0.00 C ATOM 203 OG SER A 13 15.297 -2.418 -0.292 1.00 0.00 O ATOM 0 H SER A 13 12.469 0.133 -0.738 1.00 0.00 H new ATOM 0 HA SER A 13 12.813 -2.365 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.060 -1.332 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.986 -0.385 -0.382 1.00 0.00 H new ATOM 0 HG SER A 13 16.042 -2.379 -0.928 1.00 0.00 H new ATOM 209 N LEU A 14 13.906 0.113 2.344 1.00 0.00 N ATOM 210 CA LEU A 14 14.269 0.466 3.718 1.00 0.00 C ATOM 211 C LEU A 14 13.223 -0.024 4.742 1.00 0.00 C ATOM 212 O LEU A 14 13.612 -0.584 5.767 1.00 0.00 O ATOM 213 CB LEU A 14 14.514 1.985 3.796 1.00 0.00 C ATOM 214 CG LEU A 14 15.795 2.467 3.082 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.824 3.994 3.062 1.00 0.00 C ATOM 216 CD2 LEU A 14 17.070 1.989 3.775 1.00 0.00 C ATOM 0 H LEU A 14 13.754 0.922 1.742 1.00 0.00 H new ATOM 0 HA LEU A 14 15.191 -0.048 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.657 2.501 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.566 2.278 4.845 1.00 0.00 H new ATOM 0 HG LEU A 14 15.769 2.049 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.729 4.334 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.949 4.368 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.815 4.372 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.940 2.357 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.094 2.369 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.088 0.899 3.793 1.00 0.00 H new ATOM 228 N PHE A 15 11.915 0.056 4.452 1.00 0.00 N ATOM 229 CA PHE A 15 10.887 -0.596 5.283 1.00 0.00 C ATOM 230 C PHE A 15 11.012 -2.125 5.283 1.00 0.00 C ATOM 231 O PHE A 15 10.895 -2.745 6.344 1.00 0.00 O ATOM 232 CB PHE A 15 9.467 -0.198 4.852 1.00 0.00 C ATOM 233 CG PHE A 15 8.987 1.127 5.407 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.642 1.231 6.768 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.812 2.238 4.567 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.201 2.452 7.301 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.343 3.454 5.093 1.00 0.00 C ATOM 238 CZ PHE A 15 8.048 3.568 6.461 1.00 0.00 C ATOM 0 H PHE A 15 11.543 0.565 3.650 1.00 0.00 H new ATOM 0 HA PHE A 15 11.062 -0.241 6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.431 -0.155 3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.774 -0.980 5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.717 0.364 7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.038 2.158 3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.980 2.534 8.355 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.209 4.305 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.705 4.509 6.866 1.00 0.00 H new ATOM 248 N LYS A 16 11.310 -2.740 4.128 1.00 0.00 N ATOM 249 CA LYS A 16 11.501 -4.203 4.048 1.00 0.00 C ATOM 250 C LYS A 16 12.612 -4.697 4.990 1.00 0.00 C ATOM 251 O LYS A 16 12.423 -5.697 5.689 1.00 0.00 O ATOM 252 CB LYS A 16 11.790 -4.685 2.613 1.00 0.00 C ATOM 253 CG LYS A 16 10.767 -4.368 1.535 1.00 0.00 C ATOM 254 CD LYS A 16 9.373 -4.850 1.905 1.00 0.00 C ATOM 255 CE LYS A 16 8.401 -3.676 1.920 1.00 0.00 C ATOM 256 NZ LYS A 16 7.625 -3.668 0.667 1.00 0.00 N ATOM 0 H LYS A 16 11.424 -2.253 3.239 1.00 0.00 H new ATOM 0 HA LYS A 16 10.553 -4.635 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.744 -4.259 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.919 -5.767 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.744 -3.292 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.073 -4.833 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.038 -5.601 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.393 -5.329 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.730 -3.756 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.947 -2.739 2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.801 -3.042 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.224 -3.323 -0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.301 -4.633 0.453 1.00 0.00 H new ATOM 270 N GLN A 17 13.730 -3.967 5.049 1.00 0.00 N ATOM 271 CA GLN A 17 14.882 -4.243 5.928 1.00 0.00 C ATOM 272 C GLN A 17 14.623 -3.880 7.404 1.00 0.00 C ATOM 273 O GLN A 17 15.076 -4.598 8.299 1.00 0.00 O ATOM 274 CB GLN A 17 16.109 -3.481 5.400 1.00 0.00 C ATOM 275 CG GLN A 17 16.660 -4.090 4.097 1.00 0.00 C ATOM 276 CD GLN A 17 17.499 -3.085 3.322 1.00 0.00 C ATOM 277 OE1 GLN A 17 18.722 -3.154 3.247 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.841 -2.114 2.735 1.00 0.00 N ATOM 0 H GLN A 17 13.867 -3.139 4.469 1.00 0.00 H new ATOM 0 HA GLN A 17 15.059 -5.318 5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.840 -2.439 5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.891 -3.485 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.265 -4.966 4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.832 -4.431 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.824 -2.071 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.346 -1.402 2.207 1.00 0.00 H new ATOM 287 N GLY A 18 13.882 -2.793 7.660 1.00 0.00 N ATOM 288 CA GLY A 18 13.506 -2.312 9.004 1.00 0.00 C ATOM 289 C GLY A 18 14.001 -0.903 9.367 1.00 0.00 C ATOM 290 O GLY A 18 13.901 -0.488 10.520 1.00 0.00 O ATOM 0 H GLY A 18 13.514 -2.202 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.419 -2.328 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.891 -3.015 9.743 1.00 0.00 H new ATOM 294 N LEU A 19 14.529 -0.156 8.400 1.00 0.00 N ATOM 295 CA LEU A 19 15.137 1.170 8.534 1.00 0.00 C ATOM 296 C LEU A 19 14.064 2.249 8.355 1.00 0.00 C ATOM 297 O LEU A 19 14.107 3.068 7.441 1.00 0.00 O ATOM 298 CB LEU A 19 16.330 1.256 7.560 1.00 0.00 C ATOM 299 CG LEU A 19 17.407 0.168 7.766 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.484 0.284 6.691 1.00 0.00 C ATOM 301 CD2 LEU A 19 18.081 0.274 9.133 1.00 0.00 C ATOM 0 H LEU A 19 14.545 -0.482 7.434 1.00 0.00 H new ATOM 0 HA LEU A 19 15.543 1.342 9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.954 1.188 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.797 2.235 7.664 1.00 0.00 H new ATOM 0 HG LEU A 19 16.898 -0.794 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.238 -0.488 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.032 0.157 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.953 1.266 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.830 -0.512 9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.562 1.248 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.333 0.162 9.917 1.00 0.00 H new ATOM 313 N TYR A 20 13.045 2.189 9.213 1.00 0.00 N ATOM 314 CA TYR A 20 11.821 2.996 9.116 1.00 0.00 C ATOM 315 C TYR A 20 12.076 4.507 9.172 1.00 0.00 C ATOM 316 O TYR A 20 11.416 5.258 8.457 1.00 0.00 O ATOM 317 CB TYR A 20 10.851 2.608 10.247 1.00 0.00 C ATOM 318 CG TYR A 20 10.397 1.155 10.326 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.554 0.273 9.237 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.744 0.702 11.491 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.029 -1.031 9.296 1.00 0.00 C ATOM 322 CE2 TYR A 20 9.227 -0.609 11.556 1.00 0.00 C ATOM 323 CZ TYR A 20 9.359 -1.476 10.449 1.00 0.00 C ATOM 324 OH TYR A 20 8.824 -2.725 10.478 1.00 0.00 O ATOM 0 H TYR A 20 13.045 1.562 10.017 1.00 0.00 H new ATOM 0 HA TYR A 20 11.390 2.781 8.138 1.00 0.00 H new ATOM 0 HB2 TYR A 20 11.323 2.864 11.196 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.962 3.232 10.155 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.080 0.600 8.353 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.639 1.363 12.339 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.141 -1.694 8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.730 -0.950 12.452 1.00 0.00 H new ATOM 0 HH TYR A 20 8.397 -2.878 11.347 1.00 0.00 H new ATOM 334 N ARG A 21 13.038 4.968 9.982 1.00 0.00 N ATOM 335 CA ARG A 21 13.358 6.401 10.095 1.00 0.00 C ATOM 336 C ARG A 21 14.104 6.887 8.849 1.00 0.00 C ATOM 337 O ARG A 21 13.748 7.913 8.269 1.00 0.00 O ATOM 338 CB ARG A 21 14.143 6.689 11.389 1.00 0.00 C ATOM 339 CG ARG A 21 13.540 6.164 12.710 1.00 0.00 C ATOM 340 CD ARG A 21 12.018 6.336 12.819 1.00 0.00 C ATOM 341 NE ARG A 21 11.523 6.172 14.198 1.00 0.00 N ATOM 342 CZ ARG A 21 11.108 5.069 14.793 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.272 3.871 14.308 1.00 0.00 N ATOM 344 NH2 ARG A 21 10.487 5.178 15.926 1.00 0.00 N ATOM 0 H ARG A 21 13.612 4.367 10.573 1.00 0.00 H new ATOM 0 HA ARG A 21 12.425 6.962 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.141 6.264 11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.264 7.769 11.478 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.783 5.106 12.812 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.014 6.682 13.544 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.741 7.325 12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.527 5.608 12.172 1.00 0.00 H new ATOM 0 HE ARG A 21 11.498 7.019 14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.747 3.743 13.414 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.925 3.061 14.822 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.330 6.099 16.335 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.155 4.343 16.408 1.00 0.00 H new ATOM 358 N GLU A 22 15.057 6.092 8.356 1.00 0.00 N ATOM 359 CA GLU A 22 15.743 6.355 7.080 1.00 0.00 C ATOM 360 C GLU A 22 14.795 6.267 5.873 1.00 0.00 C ATOM 361 O GLU A 22 15.001 6.970 4.879 1.00 0.00 O ATOM 362 CB GLU A 22 16.882 5.343 6.885 1.00 0.00 C ATOM 363 CG GLU A 22 18.071 5.553 7.832 1.00 0.00 C ATOM 364 CD GLU A 22 19.026 6.676 7.406 1.00 0.00 C ATOM 365 OE1 GLU A 22 18.618 7.623 6.689 1.00 0.00 O ATOM 366 OE2 GLU A 22 20.218 6.616 7.805 1.00 0.00 O ATOM 0 H GLU A 22 15.378 5.246 8.827 1.00 0.00 H new ATOM 0 HA GLU A 22 16.131 7.372 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.489 4.337 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.235 5.403 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.691 5.774 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.633 4.622 7.903 1.00 0.00 H new ATOM 374 N ALA A 23 13.753 5.433 5.954 1.00 0.00 N ATOM 375 CA ALA A 23 12.698 5.363 4.949 1.00 0.00 C ATOM 376 C ALA A 23 11.858 6.649 4.931 1.00 0.00 C ATOM 377 O ALA A 23 11.778 7.304 3.893 1.00 0.00 O ATOM 378 CB ALA A 23 11.835 4.117 5.195 1.00 0.00 C ATOM 0 H ALA A 23 13.621 4.783 6.729 1.00 0.00 H new ATOM 0 HA ALA A 23 13.152 5.276 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.047 4.066 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.457 3.225 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.387 4.175 6.187 1.00 0.00 H new ATOM 384 N VAL A 24 11.287 7.052 6.076 1.00 0.00 N ATOM 385 CA VAL A 24 10.487 8.288 6.237 1.00 0.00 C ATOM 386 C VAL A 24 11.268 9.536 5.804 1.00 0.00 C ATOM 387 O VAL A 24 10.683 10.417 5.164 1.00 0.00 O ATOM 388 CB VAL A 24 9.975 8.398 7.691 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.346 9.755 8.024 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.887 7.343 7.944 1.00 0.00 C ATOM 0 H VAL A 24 11.367 6.518 6.941 1.00 0.00 H new ATOM 0 HA VAL A 24 9.623 8.228 5.575 1.00 0.00 H new ATOM 0 HB VAL A 24 10.856 8.255 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.011 9.756 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.085 10.543 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.494 9.932 7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.531 7.427 8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.056 7.505 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.301 6.348 7.783 1.00 0.00 H new ATOM 400 N HIS A 25 12.586 9.572 6.038 1.00 0.00 N ATOM 401 CA HIS A 25 13.480 10.603 5.502 1.00 0.00 C ATOM 402 C HIS A 25 13.383 10.725 3.970 1.00 0.00 C ATOM 403 O HIS A 25 13.246 11.836 3.462 1.00 0.00 O ATOM 404 CB HIS A 25 14.924 10.299 5.929 1.00 0.00 C ATOM 405 CG HIS A 25 15.903 11.399 5.598 1.00 0.00 C ATOM 406 ND1 HIS A 25 16.478 11.665 4.375 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.419 12.305 6.480 1.00 0.00 C ATOM 408 CE1 HIS A 25 17.299 12.717 4.511 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.284 13.158 5.779 1.00 0.00 N ATOM 0 H HIS A 25 13.066 8.878 6.611 1.00 0.00 H new ATOM 0 HA HIS A 25 13.168 11.563 5.912 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.945 10.119 7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.250 9.378 5.445 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.199 12.356 7.536 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.888 13.148 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.798 13.954 6.157 1.00 0.00 H new ATOM 418 N CYS A 26 13.391 9.611 3.224 1.00 0.00 N ATOM 419 CA CYS A 26 13.310 9.621 1.757 1.00 0.00 C ATOM 420 C CYS A 26 11.976 10.192 1.253 1.00 0.00 C ATOM 421 O CYS A 26 11.970 10.966 0.295 1.00 0.00 O ATOM 422 CB CYS A 26 13.559 8.206 1.195 1.00 0.00 C ATOM 423 SG CYS A 26 15.165 7.525 1.699 1.00 0.00 S ATOM 0 H CYS A 26 13.454 8.674 3.623 1.00 0.00 H new ATOM 0 HA CYS A 26 14.093 10.284 1.389 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.765 7.540 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.508 8.237 0.107 1.00 0.00 H new ATOM 0 HG CYS A 26 15.153 7.285 2.977 1.00 0.00 H new ATOM 429 N TYR A 27 10.860 9.883 1.920 1.00 0.00 N ATOM 430 CA TYR A 27 9.547 10.438 1.561 1.00 0.00 C ATOM 431 C TYR A 27 9.451 11.950 1.819 1.00 0.00 C ATOM 432 O TYR A 27 8.880 12.665 0.996 1.00 0.00 O ATOM 433 CB TYR A 27 8.429 9.668 2.273 1.00 0.00 C ATOM 434 CG TYR A 27 8.364 8.214 1.853 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.758 7.836 0.638 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.978 7.244 2.659 1.00 0.00 C ATOM 437 CE1 TYR A 27 7.774 6.483 0.241 1.00 0.00 C ATOM 438 CE2 TYR A 27 9.030 5.902 2.252 1.00 0.00 C ATOM 439 CZ TYR A 27 8.408 5.518 1.049 1.00 0.00 C ATOM 440 OH TYR A 27 8.420 4.216 0.682 1.00 0.00 O ATOM 0 H TYR A 27 10.838 9.247 2.717 1.00 0.00 H new ATOM 0 HA TYR A 27 9.423 10.310 0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.583 9.724 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.472 10.146 2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.284 8.579 0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.416 7.533 3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.300 6.186 -0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.543 5.169 2.857 1.00 0.00 H new ATOM 0 HH TYR A 27 8.752 3.670 1.425 1.00 0.00 H new ATOM 450 N ASP A 28 10.082 12.462 2.884 1.00 0.00 N ATOM 451 CA ASP A 28 10.142 13.910 3.127 1.00 0.00 C ATOM 452 C ASP A 28 10.943 14.640 2.041 1.00 0.00 C ATOM 453 O ASP A 28 10.624 15.786 1.728 1.00 0.00 O ATOM 454 CB ASP A 28 10.730 14.212 4.511 1.00 0.00 C ATOM 455 CG ASP A 28 10.684 15.713 4.830 1.00 0.00 C ATOM 456 OD1 ASP A 28 11.761 16.334 4.992 1.00 0.00 O ATOM 457 OD2 ASP A 28 9.569 16.284 4.941 1.00 0.00 O ATOM 0 H ASP A 28 10.557 11.898 3.589 1.00 0.00 H new ATOM 0 HA ASP A 28 9.117 14.281 3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.175 13.661 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.761 13.862 4.553 1.00 0.00 H new ATOM 463 N GLN A 29 11.929 13.997 1.405 1.00 0.00 N ATOM 464 CA GLN A 29 12.696 14.632 0.324 1.00 0.00 C ATOM 465 C GLN A 29 11.885 14.781 -0.972 1.00 0.00 C ATOM 466 O GLN A 29 12.132 15.721 -1.738 1.00 0.00 O ATOM 467 CB GLN A 29 14.020 13.905 0.056 1.00 0.00 C ATOM 468 CG GLN A 29 14.923 13.677 1.277 1.00 0.00 C ATOM 469 CD GLN A 29 14.842 14.751 2.359 1.00 0.00 C ATOM 470 OE1 GLN A 29 15.091 15.930 2.139 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.471 14.390 3.562 1.00 0.00 N ATOM 0 H GLN A 29 12.215 13.041 1.618 1.00 0.00 H new ATOM 0 HA GLN A 29 12.928 15.637 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.796 12.936 -0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.581 14.475 -0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.667 12.716 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.956 13.606 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.261 13.411 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.392 15.087 4.302 1.00 0.00 H new ATOM 480 N LEU A 30 10.883 13.920 -1.199 1.00 0.00 N ATOM 481 CA LEU A 30 9.910 14.085 -2.292 1.00 0.00 C ATOM 482 C LEU A 30 9.100 15.377 -2.104 1.00 0.00 C ATOM 483 O LEU A 30 9.004 16.178 -3.032 1.00 0.00 O ATOM 484 CB LEU A 30 8.941 12.885 -2.394 1.00 0.00 C ATOM 485 CG LEU A 30 9.581 11.489 -2.413 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.509 10.406 -2.311 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.367 11.228 -3.695 1.00 0.00 C ATOM 0 H LEU A 30 10.723 13.088 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 30 10.482 14.140 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.249 12.932 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.348 13.001 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 30 10.258 11.457 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.981 9.424 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.956 10.528 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.824 10.492 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.800 10.228 -3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.699 11.304 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.164 11.965 -3.789 1.00 0.00 H new ATOM 499 N ILE A 31 8.557 15.588 -0.900 1.00 0.00 N ATOM 500 CA ILE A 31 7.645 16.702 -0.573 1.00 0.00 C ATOM 501 C ILE A 31 8.429 18.004 -0.302 1.00 0.00 C ATOM 502 O ILE A 31 7.971 19.103 -0.603 1.00 0.00 O ATOM 503 CB ILE A 31 6.710 16.306 0.599 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.001 14.959 0.301 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.669 17.413 0.855 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.075 14.447 1.412 1.00 0.00 C ATOM 0 H ILE A 31 8.741 14.978 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 31 7.010 16.904 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 31 7.318 16.185 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.418 15.068 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.761 14.202 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.021 17.119 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.180 18.342 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.068 17.562 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.629 13.501 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.651 14.298 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.287 15.178 1.594 1.00 0.00 H new ATOM 518 N THR A 32 9.678 17.896 0.161 1.00 0.00 N ATOM 519 CA THR A 32 10.654 19.000 0.240 1.00 0.00 C ATOM 520 C THR A 32 10.994 19.571 -1.139 1.00 0.00 C ATOM 521 O THR A 32 11.313 20.755 -1.249 1.00 0.00 O ATOM 522 CB THR A 32 11.935 18.500 0.922 1.00 0.00 C ATOM 523 OG1 THR A 32 11.658 18.224 2.275 1.00 0.00 O ATOM 524 CG2 THR A 32 13.101 19.474 0.930 1.00 0.00 C ATOM 0 H THR A 32 10.055 17.012 0.503 1.00 0.00 H new ATOM 0 HA THR A 32 10.202 19.802 0.824 1.00 0.00 H new ATOM 0 HB THR A 32 12.232 17.631 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.249 17.337 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.952 19.018 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.377 19.719 -0.095 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.811 20.384 1.455 1.00 0.00 H new ATOM 532 N ALA A 33 10.903 18.776 -2.208 1.00 0.00 N ATOM 533 CA ALA A 33 11.041 19.278 -3.575 1.00 0.00 C ATOM 534 C ALA A 33 9.696 19.637 -4.241 1.00 0.00 C ATOM 535 O ALA A 33 9.666 20.494 -5.124 1.00 0.00 O ATOM 536 CB ALA A 33 11.826 18.249 -4.383 1.00 0.00 C ATOM 0 H ALA A 33 10.733 17.772 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 33 11.584 20.222 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.942 18.602 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.809 18.108 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.288 17.301 -4.385 1.00 0.00 H new ATOM 542 N GLN A 34 8.600 18.990 -3.828 1.00 0.00 N ATOM 543 CA GLN A 34 7.272 19.052 -4.453 1.00 0.00 C ATOM 544 C GLN A 34 6.167 19.206 -3.367 1.00 0.00 C ATOM 545 O GLN A 34 5.499 18.223 -3.036 1.00 0.00 O ATOM 546 CB GLN A 34 7.077 17.781 -5.310 1.00 0.00 C ATOM 547 CG GLN A 34 8.145 17.482 -6.383 1.00 0.00 C ATOM 548 CD GLN A 34 8.182 15.998 -6.736 1.00 0.00 C ATOM 549 OE1 GLN A 34 7.821 15.557 -7.822 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.628 15.166 -5.818 1.00 0.00 N ATOM 0 H GLN A 34 8.615 18.380 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 34 7.194 19.925 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.025 16.925 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.110 17.854 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.935 18.065 -7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.124 17.796 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.931 15.522 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.671 14.166 -6.014 1.00 0.00 H new ATOM 559 N PRO A 35 5.975 20.404 -2.770 1.00 0.00 N ATOM 560 CA PRO A 35 5.170 20.596 -1.550 1.00 0.00 C ATOM 561 C PRO A 35 3.678 20.240 -1.602 1.00 0.00 C ATOM 562 O PRO A 35 3.079 19.983 -0.552 1.00 0.00 O ATOM 563 CB PRO A 35 5.295 22.089 -1.232 1.00 0.00 C ATOM 564 CG PRO A 35 6.677 22.448 -1.765 1.00 0.00 C ATOM 565 CD PRO A 35 6.729 21.625 -3.049 1.00 0.00 C ATOM 0 HA PRO A 35 5.561 19.900 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.513 22.671 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.215 22.280 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.778 23.516 -1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.470 22.173 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.291 22.173 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.758 21.395 -3.325 1.00 0.00 H new ATOM 573 N GLN A 36 3.062 20.267 -2.785 1.00 0.00 N ATOM 574 CA GLN A 36 1.623 20.041 -2.984 1.00 0.00 C ATOM 575 C GLN A 36 1.335 18.787 -3.828 1.00 0.00 C ATOM 576 O GLN A 36 0.244 18.227 -3.744 1.00 0.00 O ATOM 577 CB GLN A 36 1.003 21.296 -3.627 1.00 0.00 C ATOM 578 CG GLN A 36 -0.533 21.322 -3.522 1.00 0.00 C ATOM 579 CD GLN A 36 -1.126 22.603 -4.095 1.00 0.00 C ATOM 580 OE1 GLN A 36 -1.652 22.636 -5.203 1.00 0.00 O ATOM 581 NE2 GLN A 36 -1.041 23.712 -3.398 1.00 0.00 N ATOM 0 H GLN A 36 3.560 20.451 -3.656 1.00 0.00 H new ATOM 0 HA GLN A 36 1.167 19.861 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.411 22.185 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.292 21.341 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.946 20.463 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.826 21.223 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.607 23.702 -2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.409 24.583 -3.779 1.00 0.00 H new ATOM 590 N ASN A 37 2.298 18.330 -4.635 1.00 0.00 N ATOM 591 CA ASN A 37 2.070 17.307 -5.653 1.00 0.00 C ATOM 592 C ASN A 37 1.540 15.984 -5.056 1.00 0.00 C ATOM 593 O ASN A 37 2.238 15.349 -4.255 1.00 0.00 O ATOM 594 CB ASN A 37 3.365 17.045 -6.435 1.00 0.00 C ATOM 595 CG ASN A 37 3.517 17.927 -7.656 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.177 18.957 -7.647 1.00 0.00 O ATOM 597 ND2 ASN A 37 2.894 17.531 -8.737 1.00 0.00 N ATOM 0 H ASN A 37 3.261 18.663 -4.598 1.00 0.00 H new ATOM 0 HA ASN A 37 1.301 17.689 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.218 17.201 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.389 16.000 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.954 18.084 -9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.349 16.669 -8.725 1.00 0.00 H new ATOM 604 N PRO A 38 0.368 15.487 -5.500 1.00 0.00 N ATOM 605 CA PRO A 38 -0.189 14.215 -5.035 1.00 0.00 C ATOM 606 C PRO A 38 0.728 13.004 -5.281 1.00 0.00 C ATOM 607 O PRO A 38 0.607 12.016 -4.556 1.00 0.00 O ATOM 608 CB PRO A 38 -1.547 14.076 -5.732 1.00 0.00 C ATOM 609 CG PRO A 38 -1.471 15.036 -6.914 1.00 0.00 C ATOM 610 CD PRO A 38 -0.542 16.133 -6.432 1.00 0.00 C ATOM 0 HA PRO A 38 -0.294 14.226 -3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.720 13.052 -6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.366 14.337 -5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.080 14.544 -7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.454 15.430 -7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.001 16.582 -7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.099 16.934 -5.946 1.00 0.00 H new ATOM 618 N VAL A 39 1.693 13.093 -6.212 1.00 0.00 N ATOM 619 CA VAL A 39 2.748 12.077 -6.401 1.00 0.00 C ATOM 620 C VAL A 39 3.565 11.806 -5.129 1.00 0.00 C ATOM 621 O VAL A 39 4.001 10.679 -4.912 1.00 0.00 O ATOM 622 CB VAL A 39 3.680 12.458 -7.580 1.00 0.00 C ATOM 623 CG1 VAL A 39 4.880 13.332 -7.189 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.222 11.199 -8.262 1.00 0.00 C ATOM 0 H VAL A 39 1.765 13.877 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 39 2.234 11.147 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 39 3.051 13.045 -8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.476 13.549 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.524 14.266 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.493 12.803 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.874 11.484 -9.087 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.787 10.609 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.391 10.606 -8.645 1.00 0.00 H new ATOM 634 N GLY A 40 3.774 12.813 -4.270 1.00 0.00 N ATOM 635 CA GLY A 40 4.440 12.630 -2.978 1.00 0.00 C ATOM 636 C GLY A 40 3.497 12.044 -1.931 1.00 0.00 C ATOM 637 O GLY A 40 3.881 11.142 -1.192 1.00 0.00 O ATOM 0 H GLY A 40 3.486 13.774 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.299 11.971 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.822 13.589 -2.627 1.00 0.00 H new ATOM 641 N TYR A 41 2.243 12.506 -1.902 1.00 0.00 N ATOM 642 CA TYR A 41 1.272 12.112 -0.880 1.00 0.00 C ATOM 643 C TYR A 41 0.782 10.665 -1.008 1.00 0.00 C ATOM 644 O TYR A 41 0.583 10.027 0.022 1.00 0.00 O ATOM 645 CB TYR A 41 0.121 13.127 -0.831 1.00 0.00 C ATOM 646 CG TYR A 41 0.574 14.473 -0.295 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.845 14.610 1.081 1.00 0.00 C ATOM 648 CD2 TYR A 41 0.810 15.557 -1.164 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.380 15.814 1.578 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.347 16.760 -0.667 1.00 0.00 C ATOM 651 CZ TYR A 41 1.642 16.890 0.707 1.00 0.00 C ATOM 652 OH TYR A 41 2.190 18.035 1.194 1.00 0.00 O ATOM 0 H TYR A 41 1.874 13.164 -2.588 1.00 0.00 H new ATOM 0 HA TYR A 41 1.791 12.129 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.292 13.255 -1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.680 12.737 -0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.642 13.791 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.578 15.465 -2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.591 15.913 2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.534 17.585 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 41 2.452 18.615 0.449 1.00 0.00 H new ATOM 662 N SER A 42 0.665 10.085 -2.212 1.00 0.00 N ATOM 663 CA SER A 42 0.347 8.647 -2.325 1.00 0.00 C ATOM 664 C SER A 42 1.505 7.768 -1.833 1.00 0.00 C ATOM 665 O SER A 42 1.288 6.819 -1.080 1.00 0.00 O ATOM 666 CB SER A 42 -0.078 8.266 -3.747 1.00 0.00 C ATOM 667 OG SER A 42 1.028 8.134 -4.601 1.00 0.00 O ATOM 0 H SER A 42 0.781 10.571 -3.101 1.00 0.00 H new ATOM 0 HA SER A 42 -0.505 8.460 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.633 7.328 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.753 9.025 -4.141 1.00 0.00 H new ATOM 0 HG SER A 42 1.371 7.217 -4.553 1.00 0.00 H new ATOM 673 N ASN A 43 2.748 8.133 -2.165 1.00 0.00 N ATOM 674 CA ASN A 43 3.948 7.414 -1.741 1.00 0.00 C ATOM 675 C ASN A 43 4.220 7.591 -0.228 1.00 0.00 C ATOM 676 O ASN A 43 4.580 6.625 0.443 1.00 0.00 O ATOM 677 CB ASN A 43 5.105 7.850 -2.665 1.00 0.00 C ATOM 678 CG ASN A 43 5.006 7.188 -4.039 1.00 0.00 C ATOM 679 OD1 ASN A 43 4.416 7.714 -4.967 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.567 6.018 -4.230 1.00 0.00 N ATOM 0 H ASN A 43 2.949 8.948 -2.744 1.00 0.00 H new ATOM 0 HA ASN A 43 3.821 6.337 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.091 8.934 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.058 7.591 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.505 5.565 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.066 5.561 -3.467 1.00 0.00 H new ATOM 687 N LYS A 44 3.956 8.768 0.358 1.00 0.00 N ATOM 688 CA LYS A 44 4.048 9.009 1.815 1.00 0.00 C ATOM 689 C LYS A 44 2.876 8.369 2.584 1.00 0.00 C ATOM 690 O LYS A 44 3.079 7.875 3.691 1.00 0.00 O ATOM 691 CB LYS A 44 4.245 10.522 2.048 1.00 0.00 C ATOM 692 CG LYS A 44 4.869 10.950 3.396 1.00 0.00 C ATOM 693 CD LYS A 44 3.852 11.166 4.526 1.00 0.00 C ATOM 694 CE LYS A 44 4.345 12.121 5.631 1.00 0.00 C ATOM 695 NZ LYS A 44 5.495 11.596 6.400 1.00 0.00 N ATOM 0 H LYS A 44 3.669 9.593 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 44 4.919 8.505 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.873 10.909 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.274 11.008 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.585 10.190 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.429 11.873 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.929 11.562 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.609 10.202 4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.625 13.072 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.523 12.324 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.773 12.288 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.226 10.703 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.295 11.427 5.757 1.00 0.00 H new ATOM 709 N ALA A 45 1.691 8.229 1.981 1.00 0.00 N ATOM 710 CA ALA A 45 0.621 7.372 2.510 1.00 0.00 C ATOM 711 C ALA A 45 0.981 5.872 2.437 1.00 0.00 C ATOM 712 O ALA A 45 0.622 5.108 3.336 1.00 0.00 O ATOM 713 CB ALA A 45 -0.690 7.678 1.776 1.00 0.00 C ATOM 0 H ALA A 45 1.445 8.705 1.113 1.00 0.00 H new ATOM 0 HA ALA A 45 0.494 7.597 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.484 7.042 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.956 8.724 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.564 7.485 0.711 1.00 0.00 H new ATOM 719 N MET A 46 1.738 5.443 1.420 1.00 0.00 N ATOM 720 CA MET A 46 2.294 4.087 1.346 1.00 0.00 C ATOM 721 C MET A 46 3.326 3.847 2.463 1.00 0.00 C ATOM 722 O MET A 46 3.263 2.821 3.139 1.00 0.00 O ATOM 723 CB MET A 46 2.819 3.807 -0.070 1.00 0.00 C ATOM 724 CG MET A 46 3.222 2.350 -0.318 1.00 0.00 C ATOM 725 SD MET A 46 4.848 1.852 0.307 1.00 0.00 S ATOM 726 CE MET A 46 5.905 2.979 -0.637 1.00 0.00 C ATOM 0 H MET A 46 1.983 6.029 0.622 1.00 0.00 H new ATOM 0 HA MET A 46 1.505 3.357 1.528 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.051 4.087 -0.791 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.681 4.447 -0.258 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.469 1.705 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.197 2.166 -1.392 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.902 2.549 -0.732 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.479 3.132 -1.629 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.971 3.936 -0.119 1.00 0.00 H new ATOM 736 N ALA A 47 4.178 4.833 2.764 1.00 0.00 N ATOM 737 CA ALA A 47 5.057 4.809 3.936 1.00 0.00 C ATOM 738 C ALA A 47 4.275 4.669 5.258 1.00 0.00 C ATOM 739 O ALA A 47 4.644 3.851 6.101 1.00 0.00 O ATOM 740 CB ALA A 47 5.922 6.075 3.932 1.00 0.00 C ATOM 0 H ALA A 47 4.277 5.675 2.197 1.00 0.00 H new ATOM 0 HA ALA A 47 5.694 3.927 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.581 6.068 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.521 6.103 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.280 6.955 3.971 1.00 0.00 H new ATOM 746 N LEU A 48 3.157 5.391 5.427 1.00 0.00 N ATOM 747 CA LEU A 48 2.290 5.249 6.605 1.00 0.00 C ATOM 748 C LEU A 48 1.736 3.823 6.759 1.00 0.00 C ATOM 749 O LEU A 48 1.752 3.311 7.877 1.00 0.00 O ATOM 750 CB LEU A 48 1.154 6.292 6.581 1.00 0.00 C ATOM 751 CG LEU A 48 1.586 7.739 6.889 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.414 8.687 6.627 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.010 7.921 8.349 1.00 0.00 C ATOM 0 H LEU A 48 2.830 6.085 4.755 1.00 0.00 H new ATOM 0 HA LEU A 48 2.910 5.438 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.684 6.271 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.394 5.995 7.304 1.00 0.00 H new ATOM 0 HG LEU A 48 2.437 7.961 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.718 9.711 6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.112 8.612 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.425 8.414 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.305 8.957 8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.175 7.672 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.852 7.264 8.568 1.00 0.00 H new ATOM 765 N ILE A 49 1.325 3.131 5.688 1.00 0.00 N ATOM 766 CA ILE A 49 0.888 1.721 5.795 1.00 0.00 C ATOM 767 C ILE A 49 2.054 0.728 5.941 1.00 0.00 C ATOM 768 O ILE A 49 1.867 -0.325 6.545 1.00 0.00 O ATOM 769 CB ILE A 49 -0.096 1.296 4.683 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.542 1.232 3.287 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.314 2.233 4.691 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.347 0.595 2.215 1.00 0.00 C ATOM 0 H ILE A 49 1.284 3.514 4.744 1.00 0.00 H new ATOM 0 HA ILE A 49 0.330 1.678 6.730 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.410 0.276 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.802 2.243 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.473 0.669 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.009 1.933 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.812 2.174 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.986 3.257 4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.180 0.590 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.587 -0.429 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.268 1.170 2.118 1.00 0.00 H new ATOM 784 N LYS A 50 3.266 1.056 5.463 1.00 0.00 N ATOM 785 CA LYS A 50 4.484 0.247 5.687 1.00 0.00 C ATOM 786 C LYS A 50 5.079 0.420 7.099 1.00 0.00 C ATOM 787 O LYS A 50 5.833 -0.445 7.538 1.00 0.00 O ATOM 788 CB LYS A 50 5.509 0.484 4.551 1.00 0.00 C ATOM 789 CG LYS A 50 6.019 -0.826 3.923 1.00 0.00 C ATOM 790 CD LYS A 50 4.959 -1.659 3.183 1.00 0.00 C ATOM 791 CE LYS A 50 4.265 -0.849 2.087 1.00 0.00 C ATOM 792 NZ LYS A 50 3.239 -1.652 1.403 1.00 0.00 N ATOM 0 H LYS A 50 3.433 1.894 4.906 1.00 0.00 H new ATOM 0 HA LYS A 50 4.194 -0.803 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.050 1.098 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.356 1.047 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.821 -0.586 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.455 -1.441 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.430 -2.538 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.216 -2.018 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.806 0.039 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.003 -0.504 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.014 -1.218 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.597 -2.617 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.380 -1.689 1.988 1.00 0.00 H new ATOM 806 N LEU A 51 4.680 1.463 7.835 1.00 0.00 N ATOM 807 CA LEU A 51 4.913 1.638 9.283 1.00 0.00 C ATOM 808 C LEU A 51 3.737 1.084 10.124 1.00 0.00 C ATOM 809 O LEU A 51 3.936 0.519 11.206 1.00 0.00 O ATOM 810 CB LEU A 51 5.178 3.141 9.530 1.00 0.00 C ATOM 811 CG LEU A 51 6.214 3.449 10.631 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.737 4.878 10.470 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.645 3.323 12.044 1.00 0.00 C ATOM 0 H LEU A 51 4.165 2.243 7.427 1.00 0.00 H new ATOM 0 HA LEU A 51 5.780 1.062 9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.516 3.593 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.236 3.622 9.794 1.00 0.00 H new ATOM 0 HG LEU A 51 7.008 2.712 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.468 5.088 11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.209 4.985 9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.907 5.580 10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.424 3.552 12.772 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.817 4.021 12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.288 2.305 12.203 1.00 0.00 H new ATOM 825 N GLY A 52 2.514 1.201 9.593 1.00 0.00 N ATOM 826 CA GLY A 52 1.276 0.608 10.111 1.00 0.00 C ATOM 827 C GLY A 52 0.246 1.593 10.682 1.00 0.00 C ATOM 828 O GLY A 52 -0.568 1.209 11.519 1.00 0.00 O ATOM 0 H GLY A 52 2.353 1.742 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.803 0.044 9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.538 -0.107 10.891 1.00 0.00 H new ATOM 832 N GLU A 53 0.252 2.855 10.251 1.00 0.00 N ATOM 833 CA GLU A 53 -0.727 3.888 10.642 1.00 0.00 C ATOM 834 C GLU A 53 -1.824 4.072 9.579 1.00 0.00 C ATOM 835 O GLU A 53 -2.053 5.156 9.034 1.00 0.00 O ATOM 836 CB GLU A 53 -0.027 5.191 11.061 1.00 0.00 C ATOM 837 CG GLU A 53 0.984 5.025 12.211 1.00 0.00 C ATOM 838 CD GLU A 53 0.370 4.461 13.502 1.00 0.00 C ATOM 839 OE1 GLU A 53 1.073 3.732 14.239 1.00 0.00 O ATOM 840 OE2 GLU A 53 -0.804 4.765 13.827 1.00 0.00 O ATOM 0 H GLU A 53 0.956 3.204 9.601 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.254 3.540 11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.489 5.607 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.784 5.917 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.787 4.365 11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.436 5.993 12.428 1.00 0.00 H new ATOM 848 N TYR A 54 -2.507 2.966 9.266 1.00 0.00 N ATOM 849 CA TYR A 54 -3.508 2.868 8.196 1.00 0.00 C ATOM 850 C TYR A 54 -4.670 3.866 8.344 1.00 0.00 C ATOM 851 O TYR A 54 -5.193 4.332 7.331 1.00 0.00 O ATOM 852 CB TYR A 54 -4.047 1.426 8.096 1.00 0.00 C ATOM 853 CG TYR A 54 -3.009 0.320 8.214 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.629 -0.161 9.484 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.435 -0.240 7.056 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.648 -1.165 9.599 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.449 -1.238 7.171 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.044 -1.699 8.440 1.00 0.00 C ATOM 859 OH TYR A 54 -0.054 -2.626 8.537 1.00 0.00 O ATOM 0 H TYR A 54 -2.375 2.086 9.765 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.994 3.135 7.272 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.793 1.282 8.877 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.560 1.316 7.141 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.092 0.242 10.372 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.751 0.096 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.358 -1.527 10.574 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.000 -1.653 6.281 1.00 0.00 H new ATOM 0 HH TYR A 54 0.244 -2.882 7.639 1.00 0.00 H new ATOM 869 N THR A 55 -5.048 4.251 9.570 1.00 0.00 N ATOM 870 CA THR A 55 -6.104 5.255 9.805 1.00 0.00 C ATOM 871 C THR A 55 -5.650 6.677 9.454 1.00 0.00 C ATOM 872 O THR A 55 -6.468 7.464 8.969 1.00 0.00 O ATOM 873 CB THR A 55 -6.664 5.196 11.237 1.00 0.00 C ATOM 874 OG1 THR A 55 -7.042 3.870 11.537 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.922 6.050 11.396 1.00 0.00 C ATOM 0 H THR A 55 -4.635 3.880 10.426 1.00 0.00 H new ATOM 0 HA THR A 55 -6.915 4.994 9.125 1.00 0.00 H new ATOM 0 HB THR A 55 -5.881 5.565 11.899 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.397 3.830 12.449 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.283 5.979 12.422 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.688 7.089 11.165 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.693 5.692 10.714 1.00 0.00 H new ATOM 883 N GLN A 56 -4.355 7.004 9.596 1.00 0.00 N ATOM 884 CA GLN A 56 -3.842 8.311 9.150 1.00 0.00 C ATOM 885 C GLN A 56 -3.635 8.339 7.626 1.00 0.00 C ATOM 886 O GLN A 56 -3.800 9.382 6.985 1.00 0.00 O ATOM 887 CB GLN A 56 -2.538 8.709 9.869 1.00 0.00 C ATOM 888 CG GLN A 56 -2.451 8.454 11.380 1.00 0.00 C ATOM 889 CD GLN A 56 -3.745 8.614 12.163 1.00 0.00 C ATOM 890 OE1 GLN A 56 -4.353 9.671 12.241 1.00 0.00 O ATOM 891 NE2 GLN A 56 -4.227 7.545 12.748 1.00 0.00 N ATOM 0 H GLN A 56 -3.652 6.391 10.010 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.602 9.045 9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.715 8.177 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.372 9.773 9.698 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.079 7.441 11.536 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.710 9.134 11.800 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.724 6.660 12.687 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.105 7.598 13.265 1.00 0.00 H new ATOM 900 N ALA A 57 -3.311 7.183 7.030 1.00 0.00 N ATOM 901 CA ALA A 57 -3.104 7.036 5.591 1.00 0.00 C ATOM 902 C ALA A 57 -4.394 7.273 4.782 1.00 0.00 C ATOM 903 O ALA A 57 -4.352 7.950 3.757 1.00 0.00 O ATOM 904 CB ALA A 57 -2.519 5.644 5.320 1.00 0.00 C ATOM 0 H ALA A 57 -3.184 6.313 7.547 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.403 7.802 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.359 5.519 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.569 5.540 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.213 4.882 5.674 1.00 0.00 H new ATOM 910 N ILE A 58 -5.550 6.781 5.244 1.00 0.00 N ATOM 911 CA ILE A 58 -6.834 6.961 4.533 1.00 0.00 C ATOM 912 C ILE A 58 -7.369 8.404 4.568 1.00 0.00 C ATOM 913 O ILE A 58 -8.056 8.820 3.633 1.00 0.00 O ATOM 914 CB ILE A 58 -7.898 5.949 5.007 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.175 6.057 6.521 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.466 4.531 4.590 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.273 5.116 7.024 1.00 0.00 C ATOM 0 H ILE A 58 -5.628 6.251 6.112 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.616 6.754 3.485 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.846 6.183 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.254 5.846 7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.456 7.084 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.214 3.811 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.373 4.483 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.505 4.294 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.407 5.253 8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.208 5.340 6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.987 4.083 6.823 1.00 0.00 H new ATOM 929 N GLN A 59 -7.003 9.199 5.577 1.00 0.00 N ATOM 930 CA GLN A 59 -7.214 10.653 5.556 1.00 0.00 C ATOM 931 C GLN A 59 -6.248 11.340 4.577 1.00 0.00 C ATOM 932 O GLN A 59 -6.689 12.141 3.755 1.00 0.00 O ATOM 933 CB GLN A 59 -7.149 11.209 6.984 1.00 0.00 C ATOM 934 CG GLN A 59 -7.225 12.745 7.086 1.00 0.00 C ATOM 935 CD GLN A 59 -5.878 13.427 6.847 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.855 13.015 7.384 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.820 14.457 6.037 1.00 0.00 N ATOM 0 H GLN A 59 -6.555 8.858 6.427 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.212 10.874 5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.967 10.780 7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.221 10.874 7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.948 13.116 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.595 13.020 8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.669 14.802 5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.926 14.913 5.855 1.00 0.00 H new ATOM 946 N MET A 60 -4.961 10.968 4.573 1.00 0.00 N ATOM 947 CA MET A 60 -3.988 11.482 3.595 1.00 0.00 C ATOM 948 C MET A 60 -4.405 11.176 2.143 1.00 0.00 C ATOM 949 O MET A 60 -4.181 11.990 1.248 1.00 0.00 O ATOM 950 CB MET A 60 -2.594 10.926 3.917 1.00 0.00 C ATOM 951 CG MET A 60 -1.495 11.591 3.078 1.00 0.00 C ATOM 952 SD MET A 60 0.191 11.138 3.568 1.00 0.00 S ATOM 953 CE MET A 60 0.324 12.080 5.114 1.00 0.00 C ATOM 0 H MET A 60 -4.565 10.307 5.242 1.00 0.00 H new ATOM 0 HA MET A 60 -3.960 12.569 3.676 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.381 11.076 4.975 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.584 9.851 3.739 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.641 11.324 2.031 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.604 12.673 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.300 11.903 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.209 13.143 4.903 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.457 11.760 5.803 1.00 0.00 H new ATOM 963 N CYS A 61 -5.092 10.052 1.910 1.00 0.00 N ATOM 964 CA CYS A 61 -5.694 9.729 0.616 1.00 0.00 C ATOM 965 C CYS A 61 -6.748 10.763 0.180 1.00 0.00 C ATOM 966 O CYS A 61 -6.688 11.262 -0.943 1.00 0.00 O ATOM 967 CB CYS A 61 -6.245 8.303 0.631 1.00 0.00 C ATOM 968 SG CYS A 61 -4.880 7.111 0.781 1.00 0.00 S ATOM 0 H CYS A 61 -5.246 9.337 2.621 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.910 9.779 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.938 8.181 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.807 8.112 -0.283 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.373 7.180 1.976 1.00 0.00 H new ATOM 974 N GLN A 62 -7.662 11.149 1.075 1.00 0.00 N ATOM 975 CA GLN A 62 -8.698 12.163 0.817 1.00 0.00 C ATOM 976 C GLN A 62 -8.105 13.576 0.668 1.00 0.00 C ATOM 977 O GLN A 62 -8.515 14.326 -0.219 1.00 0.00 O ATOM 978 CB GLN A 62 -9.741 12.102 1.944 1.00 0.00 C ATOM 979 CG GLN A 62 -10.542 10.790 1.907 1.00 0.00 C ATOM 980 CD GLN A 62 -11.332 10.568 3.188 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.404 11.121 3.401 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.822 9.775 4.102 1.00 0.00 N ATOM 0 H GLN A 62 -7.707 10.761 2.017 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.179 11.941 -0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.241 12.196 2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.423 12.947 1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.225 10.806 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.861 9.954 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.930 9.310 3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.318 9.624 4.980 1.00 0.00 H new ATOM 991 N GLN A 63 -7.059 13.898 1.433 1.00 0.00 N ATOM 992 CA GLN A 63 -6.245 15.102 1.236 1.00 0.00 C ATOM 993 C GLN A 63 -5.529 15.112 -0.130 1.00 0.00 C ATOM 994 O GLN A 63 -5.274 16.186 -0.665 1.00 0.00 O ATOM 995 CB GLN A 63 -5.296 15.242 2.439 1.00 0.00 C ATOM 996 CG GLN A 63 -4.212 16.332 2.336 1.00 0.00 C ATOM 997 CD GLN A 63 -2.854 15.749 1.947 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.584 15.545 0.674 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.030 15.428 2.798 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.749 13.323 2.217 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.886 15.983 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.897 15.441 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.802 14.283 2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.513 17.075 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.125 16.849 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.231 15.582 3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.144 15.007 2.517 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.219 13.964 -0.741 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.723 13.900 -2.124 1.00 0.00 C ATOM 1010 C GLY A 64 -5.822 14.000 -3.190 1.00 0.00 C ATOM 1011 O GLY A 64 -5.572 14.539 -4.266 1.00 0.00 O ATOM 0 H GLY A 64 -5.304 13.052 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.007 14.707 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.183 12.963 -2.262 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.062 13.591 -2.888 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.231 13.823 -3.759 1.00 0.00 C ATOM 1017 C LEU A 65 -8.595 15.323 -3.891 1.00 0.00 C ATOM 1018 O LEU A 65 -9.304 15.699 -4.826 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.418 12.942 -3.325 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.188 11.421 -3.457 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.463 10.670 -3.069 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.786 10.975 -4.867 1.00 0.00 C ATOM 0 H LEU A 65 -7.287 13.088 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.957 13.516 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.658 13.169 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.290 13.215 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.359 11.187 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.296 9.597 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.725 10.907 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.277 10.970 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.642 9.895 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.572 11.245 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.857 11.468 -5.154 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.030 16.208 -3.052 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.075 17.685 -3.207 1.00 0.00 C ATOM 1036 C ARG A 66 -7.214 18.239 -4.361 1.00 0.00 C ATOM 1037 O ARG A 66 -7.253 19.448 -4.618 1.00 0.00 O ATOM 1038 CB ARG A 66 -7.646 18.371 -1.895 1.00 0.00 C ATOM 1039 CG ARG A 66 -8.527 18.049 -0.679 1.00 0.00 C ATOM 1040 CD ARG A 66 -7.990 18.801 0.544 1.00 0.00 C ATOM 1041 NE ARG A 66 -8.854 18.636 1.724 1.00 0.00 N ATOM 1042 CZ ARG A 66 -8.693 19.229 2.893 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -7.673 19.989 3.168 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.574 19.077 3.832 1.00 0.00 N ATOM 0 H ARG A 66 -7.514 15.915 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.112 17.912 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.620 18.081 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.645 19.450 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.559 18.339 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.528 16.976 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.988 18.442 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.902 19.861 0.306 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.650 18.006 1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.952 20.149 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.595 20.425 4.087 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.397 18.497 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.444 19.538 4.733 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.430 17.392 -5.036 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.361 17.779 -5.974 1.00 0.00 C ATOM 1060 C TYR A 67 -5.489 17.114 -7.376 1.00 0.00 C ATOM 1061 O TYR A 67 -4.475 16.852 -8.029 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.001 17.488 -5.288 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.708 18.150 -3.939 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.151 19.457 -3.650 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.916 17.476 -2.982 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.858 20.061 -2.410 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.594 18.087 -1.751 1.00 0.00 C ATOM 1068 CZ TYR A 67 -3.077 19.379 -1.454 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.779 19.987 -0.269 1.00 0.00 O ATOM 0 H TYR A 67 -6.523 16.380 -4.944 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.445 18.844 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.922 16.409 -5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.211 17.781 -5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.722 20.002 -4.387 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.553 16.481 -3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.233 21.050 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.977 17.565 -1.035 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.235 19.385 0.280 1.00 0.00 H new ATOM 1079 N THR A 68 -6.708 16.795 -7.840 1.00 0.00 N ATOM 1080 CA THR A 68 -6.974 15.833 -8.944 1.00 0.00 C ATOM 1081 C THR A 68 -7.656 16.390 -10.204 1.00 0.00 C ATOM 1082 O THR A 68 -7.853 15.651 -11.172 1.00 0.00 O ATOM 1083 CB THR A 68 -7.868 14.689 -8.441 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.092 15.215 -7.974 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.238 13.889 -7.308 1.00 0.00 C ATOM 0 H THR A 68 -7.560 17.203 -7.456 1.00 0.00 H new ATOM 0 HA THR A 68 -5.972 15.520 -9.239 1.00 0.00 H new ATOM 0 HB THR A 68 -8.013 14.018 -9.288 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.046 15.338 -7.003 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.920 13.097 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.302 13.449 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.041 14.548 -6.463 1.00 0.00 H new ATOM 1093 N SER A 69 -8.068 17.658 -10.217 1.00 0.00 N ATOM 1094 CA SER A 69 -9.145 18.164 -11.092 1.00 0.00 C ATOM 1095 C SER A 69 -8.727 18.553 -12.525 1.00 0.00 C ATOM 1096 O SER A 69 -9.308 19.468 -13.117 1.00 0.00 O ATOM 1097 CB SER A 69 -9.914 19.281 -10.365 1.00 0.00 C ATOM 1098 OG SER A 69 -11.273 18.909 -10.217 1.00 0.00 O ATOM 0 H SER A 69 -7.664 18.377 -9.617 1.00 0.00 H new ATOM 0 HA SER A 69 -9.810 17.319 -11.273 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.469 19.465 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.841 20.211 -10.928 1.00 0.00 H new ATOM 0 HG SER A 69 -11.759 19.622 -9.752 1.00 0.00 H new ATOM 1104 N THR A 70 -7.712 17.890 -13.083 1.00 0.00 N ATOM 1105 CA THR A 70 -7.137 18.183 -14.410 1.00 0.00 C ATOM 1106 C THR A 70 -6.693 16.904 -15.135 1.00 0.00 C ATOM 1107 O THR A 70 -6.511 15.853 -14.513 1.00 0.00 O ATOM 1108 CB THR A 70 -5.942 19.156 -14.314 1.00 0.00 C ATOM 1109 OG1 THR A 70 -4.805 18.497 -13.818 1.00 0.00 O ATOM 1110 CG2 THR A 70 -6.174 20.373 -13.416 1.00 0.00 C ATOM 0 H THR A 70 -7.249 17.110 -12.615 1.00 0.00 H new ATOM 0 HA THR A 70 -7.931 18.656 -14.987 1.00 0.00 H new ATOM 0 HB THR A 70 -5.807 19.510 -15.336 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.058 19.129 -13.766 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.281 20.997 -13.411 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.018 20.950 -13.795 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.389 20.040 -12.401 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.468 16.988 -16.451 1.00 0.00 N ATOM 1119 CA ALA A 71 -5.939 15.889 -17.267 1.00 0.00 C ATOM 1120 C ALA A 71 -4.524 15.443 -16.842 1.00 0.00 C ATOM 1121 O ALA A 71 -4.169 14.268 -16.963 1.00 0.00 O ATOM 1122 CB ALA A 71 -5.946 16.349 -18.726 1.00 0.00 C ATOM 0 H ALA A 71 -6.651 17.836 -16.988 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.574 15.014 -17.126 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.557 15.552 -19.361 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.966 16.588 -19.027 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.320 17.235 -18.831 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.732 16.355 -16.270 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.431 16.048 -15.664 1.00 0.00 C ATOM 1130 C GLU A 72 -2.544 15.099 -14.456 1.00 0.00 C ATOM 1131 O GLU A 72 -1.571 14.428 -14.103 1.00 0.00 O ATOM 1132 CB GLU A 72 -1.739 17.370 -15.284 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.224 17.268 -15.048 1.00 0.00 C ATOM 1134 CD GLU A 72 0.531 16.932 -16.338 1.00 0.00 C ATOM 1135 OE1 GLU A 72 0.966 17.868 -17.056 1.00 0.00 O ATOM 1136 OE2 GLU A 72 0.668 15.728 -16.671 1.00 0.00 O ATOM 0 H GLU A 72 -3.980 17.343 -16.214 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.826 15.513 -16.396 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.920 18.097 -16.076 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.206 17.760 -14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.146 18.211 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.023 16.502 -14.299 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.727 14.980 -13.843 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.939 14.252 -12.588 1.00 0.00 C ATOM 1146 C HIS A 73 -5.072 13.201 -12.641 1.00 0.00 C ATOM 1147 O HIS A 73 -5.452 12.658 -11.603 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.118 15.270 -11.457 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.007 16.291 -11.362 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.641 16.072 -11.365 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.193 17.643 -11.344 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.029 17.268 -11.353 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.937 18.260 -11.316 1.00 0.00 N ATOM 0 H HIS A 73 -4.581 15.396 -14.214 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.053 13.647 -12.397 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.065 15.791 -11.599 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.187 14.736 -10.510 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.147 18.150 -11.350 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.041 17.413 -11.371 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.748 19.262 -11.276 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.585 12.849 -13.828 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.608 11.795 -13.997 1.00 0.00 C ATOM 1164 C VAL A 74 -6.106 10.395 -13.608 1.00 0.00 C ATOM 1165 O VAL A 74 -6.868 9.600 -13.047 1.00 0.00 O ATOM 1166 CB VAL A 74 -7.182 11.823 -15.428 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -6.168 11.413 -16.505 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -8.416 10.924 -15.564 1.00 0.00 C ATOM 0 H VAL A 74 -5.304 13.287 -14.705 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.414 12.019 -13.298 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.454 12.866 -15.593 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.642 11.456 -17.486 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.318 12.095 -16.482 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.824 10.397 -16.313 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.790 10.972 -16.587 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.145 9.896 -15.324 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.192 11.264 -14.878 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.820 10.095 -13.815 1.00 0.00 N ATOM 1179 CA ALA A 75 -4.194 8.874 -13.306 1.00 0.00 C ATOM 1180 C ALA A 75 -3.890 9.006 -11.804 1.00 0.00 C ATOM 1181 O ALA A 75 -4.128 8.071 -11.048 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.941 8.550 -14.128 1.00 0.00 C ATOM 0 H ALA A 75 -4.184 10.694 -14.341 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.886 8.039 -13.415 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.479 7.640 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.218 8.404 -15.172 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.233 9.375 -14.053 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.478 10.191 -11.337 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.323 10.502 -9.902 1.00 0.00 C ATOM 1190 C ILE A 76 -4.615 10.269 -9.102 1.00 0.00 C ATOM 1191 O ILE A 76 -4.554 9.764 -7.980 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.792 11.948 -9.739 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.256 12.024 -9.625 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.452 12.768 -8.621 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.610 11.222 -8.490 1.00 0.00 C ATOM 0 H ILE A 76 -3.239 10.972 -11.948 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.593 9.810 -9.482 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.092 12.419 -10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.828 11.685 -10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.975 13.070 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.010 13.764 -8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.521 12.852 -8.814 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.294 12.271 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.471 11.358 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.995 11.572 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.846 10.165 -8.612 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.786 10.582 -9.673 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.096 10.349 -9.042 1.00 0.00 C ATOM 1209 C ARG A 77 -7.306 8.863 -8.728 1.00 0.00 C ATOM 1210 O ARG A 77 -7.715 8.531 -7.615 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.184 10.965 -9.942 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.587 10.920 -9.313 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.537 12.017 -9.821 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.596 12.115 -11.288 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.350 11.433 -12.124 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -12.104 10.439 -11.767 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -11.341 11.767 -13.377 1.00 0.00 N ATOM 0 H ARG A 77 -5.853 11.009 -10.597 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.152 10.843 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.923 12.001 -10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.202 10.434 -10.894 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.033 9.946 -9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.492 11.009 -8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.539 11.824 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.220 12.977 -9.414 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.971 12.801 -11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.134 10.147 -10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.666 9.950 -12.463 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.759 12.542 -13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.916 11.255 -14.046 1.00 0.00 H new ATOM 1231 N SER A 78 -6.903 7.980 -9.644 1.00 0.00 N ATOM 1232 CA SER A 78 -6.792 6.537 -9.399 1.00 0.00 C ATOM 1233 C SER A 78 -5.629 6.179 -8.460 1.00 0.00 C ATOM 1234 O SER A 78 -5.820 5.344 -7.577 1.00 0.00 O ATOM 1235 CB SER A 78 -6.650 5.791 -10.730 1.00 0.00 C ATOM 1236 OG SER A 78 -7.852 5.851 -11.481 1.00 0.00 O ATOM 0 H SER A 78 -6.640 8.250 -10.592 1.00 0.00 H new ATOM 0 HA SER A 78 -7.708 6.225 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.834 6.225 -11.308 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.388 4.750 -10.541 1.00 0.00 H new ATOM 0 HG SER A 78 -7.734 5.369 -12.326 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.456 6.826 -8.560 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.294 6.543 -7.696 1.00 0.00 C ATOM 1244 C LYS A 79 -3.578 6.814 -6.215 1.00 0.00 C ATOM 1245 O LYS A 79 -3.046 6.094 -5.381 1.00 0.00 O ATOM 1246 CB LYS A 79 -2.014 7.244 -8.207 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.754 6.413 -7.868 1.00 0.00 C ATOM 1248 CD LYS A 79 0.549 6.925 -8.518 1.00 0.00 C ATOM 1249 CE LYS A 79 1.248 8.027 -7.712 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.446 7.512 -6.993 1.00 0.00 N ATOM 0 H LYS A 79 -4.285 7.563 -9.244 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.105 5.472 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.080 7.388 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.933 8.234 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.624 6.400 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.920 5.382 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.236 6.088 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.323 7.304 -9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.545 8.834 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.547 8.451 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.781 8.229 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.196 6.643 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.199 7.303 -7.679 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.464 7.761 -5.870 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.951 7.935 -4.493 1.00 0.00 C ATOM 1266 C LEU A 80 -6.137 7.014 -4.139 1.00 0.00 C ATOM 1267 O LEU A 80 -6.154 6.474 -3.034 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.228 9.423 -4.162 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.009 10.287 -3.762 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.176 9.671 -2.637 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.077 10.585 -4.933 1.00 0.00 C ATOM 0 H LEU A 80 -4.861 8.425 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.138 7.612 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.699 9.882 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.953 9.461 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.455 11.217 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.337 10.327 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.797 9.548 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.800 8.698 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.242 11.194 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.698 9.649 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.625 11.125 -5.706 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.090 6.760 -5.044 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.233 5.867 -4.758 1.00 0.00 C ATOM 1285 C GLN A 81 -7.834 4.396 -4.563 1.00 0.00 C ATOM 1286 O GLN A 81 -8.321 3.755 -3.627 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.306 6.012 -5.851 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.283 7.126 -5.462 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.074 7.673 -6.641 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.989 7.052 -7.163 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.756 8.862 -7.088 1.00 0.00 N ATOM 0 H GLN A 81 -7.097 7.158 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.646 6.186 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.837 6.242 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.842 5.071 -5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.977 6.745 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.728 7.941 -4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.993 9.383 -6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.271 9.268 -7.869 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.906 3.874 -5.372 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.367 2.523 -5.164 1.00 0.00 C ATOM 1302 C TYR A 82 -5.466 2.472 -3.910 1.00 0.00 C ATOM 1303 O TYR A 82 -5.523 1.505 -3.151 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.669 1.996 -6.438 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.185 1.753 -6.262 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.309 2.845 -6.335 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -3.718 0.492 -5.842 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.970 2.703 -5.934 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -2.368 0.333 -5.469 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.501 1.447 -5.496 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.227 1.328 -5.054 1.00 0.00 O ATOM 0 H TYR A 82 -6.512 4.364 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.198 1.844 -4.972 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.147 1.066 -6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.818 2.712 -7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.664 3.797 -6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.393 -0.351 -5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.303 3.552 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.999 -0.635 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 82 0.113 2.210 -4.795 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.687 3.535 -3.633 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.814 3.628 -2.448 1.00 0.00 C ATOM 1323 C ARG A 83 -4.617 3.572 -1.150 1.00 0.00 C ATOM 1324 O ARG A 83 -4.154 2.952 -0.191 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.951 4.903 -2.544 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.085 5.277 -1.326 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.852 4.389 -1.137 1.00 0.00 C ATOM 1328 NE ARG A 83 -1.217 3.000 -0.818 1.00 0.00 N ATOM 1329 CZ ARG A 83 -0.709 1.908 -1.357 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.243 1.909 -2.238 1.00 0.00 N ATOM 1331 NH2 ARG A 83 -1.187 0.749 -1.030 1.00 0.00 N ATOM 0 H ARG A 83 -4.646 4.360 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.150 2.764 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.291 4.797 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.615 5.742 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.761 6.313 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.699 5.223 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.250 4.406 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.233 4.794 -0.337 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.937 2.868 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.645 2.792 -2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.590 1.027 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.952 0.684 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.798 -0.098 -1.444 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.812 4.170 -1.150 1.00 0.00 N ATOM 1346 CA LEU A 84 -6.796 4.096 -0.070 1.00 0.00 C ATOM 1347 C LEU A 84 -7.356 2.669 0.055 1.00 0.00 C ATOM 1348 O LEU A 84 -7.283 2.073 1.128 1.00 0.00 O ATOM 1349 CB LEU A 84 -7.891 5.153 -0.340 1.00 0.00 C ATOM 1350 CG LEU A 84 -8.612 5.690 0.908 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.524 6.857 0.525 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.483 4.656 1.603 1.00 0.00 C ATOM 0 H LEU A 84 -6.131 4.740 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.334 4.320 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.439 5.993 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.634 4.719 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.819 5.992 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.030 7.231 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.927 7.656 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.265 6.517 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.959 5.107 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.249 4.303 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.866 3.816 1.922 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.826 2.069 -1.041 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.384 0.717 -1.071 1.00 0.00 C ATOM 1366 C GLU A 85 -7.377 -0.350 -0.592 1.00 0.00 C ATOM 1367 O GLU A 85 -7.751 -1.273 0.137 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.894 0.493 -2.505 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.247 -0.958 -2.792 1.00 0.00 C ATOM 1370 CD GLU A 85 -10.094 -1.099 -4.061 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.344 -1.061 -3.969 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -9.539 -1.279 -5.172 1.00 0.00 O ATOM 0 H GLU A 85 -7.829 2.522 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.208 0.615 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.773 1.115 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.132 0.822 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.332 -1.540 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.791 -1.374 -1.944 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.087 -0.189 -0.903 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.006 -1.044 -0.400 1.00 0.00 C ATOM 1382 C LEU A 86 -4.476 -0.632 0.985 1.00 0.00 C ATOM 1383 O LEU A 86 -3.720 -1.399 1.573 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.877 -1.154 -1.448 1.00 0.00 C ATOM 1385 CG LEU A 86 -4.010 -2.294 -2.475 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.844 -3.678 -1.839 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -5.335 -2.269 -3.237 1.00 0.00 C ATOM 0 H LEU A 86 -5.758 0.552 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.436 -2.034 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.820 -0.210 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.931 -1.277 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.198 -2.117 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.947 -4.446 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.858 -3.752 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.610 -3.822 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.364 -3.098 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.162 -2.364 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.426 -1.327 -3.778 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.889 0.499 1.570 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.661 0.744 3.003 1.00 0.00 C ATOM 1401 C ALA A 87 -5.657 -0.085 3.820 1.00 0.00 C ATOM 1402 O ALA A 87 -5.264 -0.809 4.735 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.766 2.241 3.326 1.00 0.00 C ATOM 0 H ALA A 87 -5.376 1.251 1.083 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.650 0.434 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.594 2.396 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.018 2.790 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.761 2.601 3.063 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.924 -0.084 3.389 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.957 -0.982 3.913 1.00 0.00 C ATOM 1411 C GLN A 88 -7.620 -2.464 3.617 1.00 0.00 C ATOM 1412 O GLN A 88 -7.956 -3.349 4.404 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.336 -0.585 3.354 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.628 0.931 3.398 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.092 1.277 3.160 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.690 2.104 3.847 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -11.722 0.699 2.164 1.00 0.00 N ATOM 0 H GLN A 88 -7.263 0.545 2.661 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.989 -0.879 4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.409 -0.927 2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.108 -1.108 3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.324 1.323 4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.018 1.432 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.239 0.011 1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.694 0.938 1.968 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.895 -2.732 2.524 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.340 -4.044 2.161 1.00 0.00 C ATOM 1428 C GLY A 89 -5.184 -4.497 3.065 1.00 0.00 C ATOM 1429 O GLY A 89 -5.154 -5.642 3.517 1.00 0.00 O ATOM 0 H GLY A 89 -6.669 -2.011 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.135 -4.789 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.990 -4.008 1.129 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.249 -3.596 3.381 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.089 -3.877 4.234 1.00 0.00 C ATOM 1435 C ALA A 90 -3.429 -3.952 5.740 1.00 0.00 C ATOM 1436 O ALA A 90 -2.718 -4.623 6.497 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.019 -2.826 3.924 1.00 0.00 C ATOM 0 H ALA A 90 -4.277 -2.633 3.045 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.714 -4.874 4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.141 -3.007 4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.740 -2.890 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.413 -1.832 4.135 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.532 -3.324 6.171 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.110 -3.524 7.518 1.00 0.00 C ATOM 1445 C VAL A 91 -6.105 -4.697 7.573 1.00 0.00 C ATOM 1446 O VAL A 91 -6.434 -5.170 8.660 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.698 -2.206 8.068 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.143 -1.953 7.640 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.620 -2.139 9.597 1.00 0.00 C ATOM 0 H VAL A 91 -5.054 -2.661 5.598 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.295 -3.814 8.182 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.075 -1.426 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.488 -1.010 8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.197 -1.903 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.776 -2.765 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.044 -1.196 9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.182 -2.968 10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.578 -2.205 9.911 1.00 0.00 H new ATOM 1459 N GLY A 92 -6.578 -5.185 6.420 1.00 0.00 N ATOM 1460 CA GLY A 92 -7.487 -6.328 6.280 1.00 0.00 C ATOM 1461 C GLY A 92 -6.798 -7.697 6.380 1.00 0.00 C ATOM 1462 O GLY A 92 -5.664 -7.813 6.858 1.00 0.00 O ATOM 0 H GLY A 92 -6.326 -4.776 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.255 -6.263 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.994 -6.259 5.318 1.00 0.00 H new ATOM 1466 N SER A 93 -7.481 -8.748 5.916 1.00 0.00 N ATOM 1467 CA SER A 93 -7.033 -10.147 6.029 1.00 0.00 C ATOM 1468 C SER A 93 -7.049 -10.888 4.685 1.00 0.00 C ATOM 1469 O SER A 93 -8.111 -11.173 4.133 1.00 0.00 O ATOM 1470 CB SER A 93 -7.901 -10.887 7.055 1.00 0.00 C ATOM 1471 OG SER A 93 -7.556 -10.472 8.366 1.00 0.00 O ATOM 0 H SER A 93 -8.379 -8.652 5.441 1.00 0.00 H new ATOM 0 HA SER A 93 -5.996 -10.129 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.955 -10.685 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.760 -11.963 6.956 1.00 0.00 H new ATOM 0 HG SER A 93 -8.114 -10.946 9.017 1.00 0.00 H new ATOM 1477 N VAL A 94 -5.860 -11.260 4.197 1.00 0.00 N ATOM 1478 CA VAL A 94 -5.655 -12.194 3.071 1.00 0.00 C ATOM 1479 C VAL A 94 -5.313 -13.601 3.587 1.00 0.00 C ATOM 1480 O VAL A 94 -4.789 -13.748 4.692 1.00 0.00 O ATOM 1481 CB VAL A 94 -4.610 -11.629 2.082 1.00 0.00 C ATOM 1482 CG1 VAL A 94 -3.186 -11.584 2.652 1.00 0.00 C ATOM 1483 CG2 VAL A 94 -4.582 -12.399 0.758 1.00 0.00 C ATOM 0 H VAL A 94 -4.983 -10.911 4.583 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.584 -12.295 2.511 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.940 -10.606 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.507 -11.177 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.169 -10.951 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.869 -12.592 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.832 -11.962 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.334 -13.443 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.561 -12.340 0.282 1.00 0.00 H new ATOM 1493 N GLN A 95 -5.618 -14.640 2.805 1.00 0.00 N ATOM 1494 CA GLN A 95 -5.403 -16.052 3.146 1.00 0.00 C ATOM 1495 C GLN A 95 -4.279 -16.660 2.297 1.00 0.00 C ATOM 1496 O GLN A 95 -4.443 -16.859 1.099 1.00 0.00 O ATOM 1497 CB GLN A 95 -6.713 -16.864 3.031 1.00 0.00 C ATOM 1498 CG GLN A 95 -7.839 -16.314 2.130 1.00 0.00 C ATOM 1499 CD GLN A 95 -7.459 -16.095 0.666 1.00 0.00 C ATOM 1500 OE1 GLN A 95 -7.039 -15.013 0.267 1.00 0.00 O ATOM 1501 NE2 GLN A 95 -7.637 -17.073 -0.190 1.00 0.00 N ATOM 0 H GLN A 95 -6.037 -14.518 1.883 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.086 -16.100 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.456 -17.860 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.119 -16.983 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.682 -17.003 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.182 -15.366 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.986 -17.976 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.427 -16.931 -1.178 1.00 0.00 H new ATOM 1510 N ILE A 96 -3.132 -16.973 2.911 1.00 0.00 N ATOM 1511 CA ILE A 96 -1.944 -17.498 2.218 1.00 0.00 C ATOM 1512 C ILE A 96 -1.490 -18.806 2.902 1.00 0.00 C ATOM 1513 O ILE A 96 -0.600 -18.767 3.757 1.00 0.00 O ATOM 1514 CB ILE A 96 -0.815 -16.432 2.133 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -1.325 -15.094 1.544 1.00 0.00 C ATOM 1516 CG2 ILE A 96 0.347 -16.958 1.265 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -0.279 -13.971 1.489 1.00 0.00 C ATOM 0 H ILE A 96 -2.999 -16.868 3.917 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.200 -17.733 1.185 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.469 -16.246 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.695 -15.276 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.173 -14.752 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.132 -16.204 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.749 -17.869 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.018 -17.173 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.729 -13.075 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.075 -13.754 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.560 -14.286 0.869 1.00 0.00 H new ATOM 1529 N PRO A 97 -2.076 -19.973 2.547 1.00 0.00 N ATOM 1530 CA PRO A 97 -1.757 -21.268 3.165 1.00 0.00 C ATOM 1531 C PRO A 97 -0.480 -21.943 2.627 1.00 0.00 C ATOM 1532 O PRO A 97 -0.129 -23.029 3.087 1.00 0.00 O ATOM 1533 CB PRO A 97 -3.002 -22.128 2.934 1.00 0.00 C ATOM 1534 CG PRO A 97 -3.521 -21.627 1.590 1.00 0.00 C ATOM 1535 CD PRO A 97 -3.225 -20.128 1.656 1.00 0.00 C ATOM 0 HA PRO A 97 -1.525 -21.132 4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.759 -23.190 2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.738 -21.993 3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.010 -22.105 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.586 -21.825 1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.004 -19.732 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.087 -19.578 2.034 1.00 0.00 H new ATOM 1543 N VAL A 98 0.224 -21.312 1.675 1.00 0.00 N ATOM 1544 CA VAL A 98 1.562 -21.716 1.175 1.00 0.00 C ATOM 1545 C VAL A 98 1.642 -23.137 0.569 1.00 0.00 C ATOM 1546 O VAL A 98 2.699 -23.770 0.555 1.00 0.00 O ATOM 1547 CB VAL A 98 2.683 -21.432 2.216 1.00 0.00 C ATOM 1548 CG1 VAL A 98 4.010 -21.104 1.519 1.00 0.00 C ATOM 1549 CG2 VAL A 98 2.412 -20.239 3.150 1.00 0.00 C ATOM 0 H VAL A 98 -0.129 -20.475 1.211 1.00 0.00 H new ATOM 0 HA VAL A 98 1.742 -21.068 0.317 1.00 0.00 H new ATOM 0 HB VAL A 98 2.719 -22.349 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.777 -20.910 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.314 -21.948 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.883 -20.221 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.248 -20.120 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.298 -19.331 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.498 -20.420 3.716 1.00 0.00 H new ATOM 1559 N VAL A 99 0.530 -23.648 0.034 1.00 0.00 N ATOM 1560 CA VAL A 99 0.405 -24.949 -0.643 1.00 0.00 C ATOM 1561 C VAL A 99 -0.603 -24.833 -1.787 1.00 0.00 C ATOM 1562 O VAL A 99 -1.490 -23.977 -1.744 1.00 0.00 O ATOM 1563 CB VAL A 99 -0.019 -26.088 0.316 1.00 0.00 C ATOM 1564 CG1 VAL A 99 1.064 -26.404 1.356 1.00 0.00 C ATOM 1565 CG2 VAL A 99 -1.336 -25.813 1.055 1.00 0.00 C ATOM 0 H VAL A 99 -0.355 -23.142 0.061 1.00 0.00 H new ATOM 0 HA VAL A 99 1.391 -25.209 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.167 -26.947 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.721 -27.209 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.978 -26.712 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.264 -25.515 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.569 -26.654 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.236 -24.907 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.140 -25.683 0.330 1.00 0.00 H new ATOM 1575 N GLU A 100 -0.492 -25.699 -2.796 1.00 0.00 N ATOM 1576 CA GLU A 100 -1.333 -25.713 -4.005 1.00 0.00 C ATOM 1577 C GLU A 100 -1.460 -24.341 -4.722 1.00 0.00 C ATOM 1578 O GLU A 100 -0.545 -23.513 -4.655 1.00 0.00 O ATOM 1579 CB GLU A 100 -2.691 -26.405 -3.717 1.00 0.00 C ATOM 1580 CG GLU A 100 -2.587 -27.889 -3.355 1.00 0.00 C ATOM 1581 CD GLU A 100 -3.970 -28.544 -3.451 1.00 0.00 C ATOM 1582 OE1 GLU A 100 -4.741 -28.517 -2.462 1.00 0.00 O ATOM 1583 OE2 GLU A 100 -4.304 -29.108 -4.522 1.00 0.00 O ATOM 0 H GLU A 100 0.210 -26.439 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.809 -26.319 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.186 -25.879 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.329 -26.303 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.890 -28.389 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.191 -28.000 -2.346 1.00 0.00 H new ATOM 1591 N VAL A 101 -2.559 -24.149 -5.468 1.00 0.00 N ATOM 1592 CA VAL A 101 -2.949 -22.959 -6.257 1.00 0.00 C ATOM 1593 C VAL A 101 -4.429 -22.579 -6.021 1.00 0.00 C ATOM 1594 O VAL A 101 -5.072 -21.935 -6.853 1.00 0.00 O ATOM 1595 CB VAL A 101 -2.659 -23.173 -7.764 1.00 0.00 C ATOM 1596 CG1 VAL A 101 -1.159 -23.326 -8.035 1.00 0.00 C ATOM 1597 CG2 VAL A 101 -3.382 -24.395 -8.350 1.00 0.00 C ATOM 0 H VAL A 101 -3.262 -24.884 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.341 -22.123 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.039 -22.277 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.995 -23.474 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.637 -22.426 -7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.776 -24.186 -7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.138 -24.490 -9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.063 -25.294 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.459 -24.270 -8.236 1.00 0.00 H new ATOM 1607 N ASP A 102 -5.018 -23.043 -4.910 1.00 0.00 N ATOM 1608 CA ASP A 102 -6.473 -23.188 -4.745 1.00 0.00 C ATOM 1609 C ASP A 102 -7.060 -22.214 -3.703 1.00 0.00 C ATOM 1610 O ASP A 102 -8.042 -21.525 -3.986 1.00 0.00 O ATOM 1611 CB ASP A 102 -6.753 -24.667 -4.405 1.00 0.00 C ATOM 1612 CG ASP A 102 -8.228 -25.070 -4.487 1.00 0.00 C ATOM 1613 OD1 ASP A 102 -8.948 -24.592 -5.399 1.00 0.00 O ATOM 1614 OD2 ASP A 102 -8.663 -25.916 -3.669 1.00 0.00 O ATOM 0 H ASP A 102 -4.489 -23.333 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.978 -22.918 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.179 -25.298 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.390 -24.870 -3.398 1.00 0.00 H new ATOM 1620 N GLU A 103 -6.433 -22.087 -2.534 1.00 0.00 N ATOM 1621 CA GLU A 103 -6.907 -21.321 -1.364 1.00 0.00 C ATOM 1622 C GLU A 103 -5.949 -20.194 -0.926 1.00 0.00 C ATOM 1623 O GLU A 103 -6.070 -19.653 0.172 1.00 0.00 O ATOM 1624 CB GLU A 103 -7.250 -22.293 -0.220 1.00 0.00 C ATOM 1625 CG GLU A 103 -8.476 -23.170 -0.517 1.00 0.00 C ATOM 1626 CD GLU A 103 -9.786 -22.398 -0.331 1.00 0.00 C ATOM 1627 OE1 GLU A 103 -10.079 -21.441 -1.089 1.00 0.00 O ATOM 1628 OE2 GLU A 103 -10.536 -22.698 0.625 1.00 0.00 O ATOM 0 H GLU A 103 -5.534 -22.536 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.813 -20.792 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.390 -22.935 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.432 -21.722 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.416 -23.544 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.469 -24.039 0.141 1.00 0.00 H new ATOM 1636 N LEU A 104 -5.033 -19.837 -1.831 1.00 0.00 N ATOM 1637 CA LEU A 104 -4.264 -18.588 -1.896 1.00 0.00 C ATOM 1638 C LEU A 104 -5.145 -17.392 -2.341 1.00 0.00 C ATOM 1639 O LEU A 104 -6.281 -17.608 -2.788 1.00 0.00 O ATOM 1640 CB LEU A 104 -3.144 -18.829 -2.936 1.00 0.00 C ATOM 1641 CG LEU A 104 -2.022 -19.780 -2.489 1.00 0.00 C ATOM 1642 CD1 LEU A 104 -1.164 -20.163 -3.688 1.00 0.00 C ATOM 1643 CD2 LEU A 104 -1.098 -19.118 -1.469 1.00 0.00 C ATOM 0 H LEU A 104 -4.790 -20.463 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.868 -18.335 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.595 -19.228 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.700 -17.868 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.500 -20.652 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.370 -20.837 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.783 -20.661 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.724 -19.265 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.317 -19.820 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.642 -18.232 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.674 -18.829 -0.590 1.00 0.00 H new ATOM 1655 N PRO A 105 -4.631 -16.143 -2.336 1.00 0.00 N ATOM 1656 CA PRO A 105 -5.137 -15.072 -3.206 1.00 0.00 C ATOM 1657 C PRO A 105 -4.923 -15.401 -4.700 1.00 0.00 C ATOM 1658 O PRO A 105 -4.446 -16.480 -5.058 1.00 0.00 O ATOM 1659 CB PRO A 105 -4.357 -13.821 -2.779 1.00 0.00 C ATOM 1660 CG PRO A 105 -3.011 -14.397 -2.345 1.00 0.00 C ATOM 1661 CD PRO A 105 -3.435 -15.681 -1.639 1.00 0.00 C ATOM 0 HA PRO A 105 -6.213 -14.934 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.248 -13.112 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.853 -13.293 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.357 -14.594 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.473 -13.722 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.644 -16.430 -1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.643 -15.497 -0.585 1.00 0.00 H new ATOM 1669 N GLU A 106 -5.261 -14.475 -5.602 1.00 0.00 N ATOM 1670 CA GLU A 106 -5.026 -14.644 -7.043 1.00 0.00 C ATOM 1671 C GLU A 106 -3.527 -14.833 -7.357 1.00 0.00 C ATOM 1672 O GLU A 106 -2.699 -13.955 -7.087 1.00 0.00 O ATOM 1673 CB GLU A 106 -5.635 -13.467 -7.818 1.00 0.00 C ATOM 1674 CG GLU A 106 -5.478 -13.650 -9.334 1.00 0.00 C ATOM 1675 CD GLU A 106 -6.400 -12.705 -10.105 1.00 0.00 C ATOM 1676 OE1 GLU A 106 -5.957 -11.605 -10.523 1.00 0.00 O ATOM 1677 OE2 GLU A 106 -7.578 -13.080 -10.324 1.00 0.00 O ATOM 0 H GLU A 106 -5.704 -13.589 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.525 -15.556 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.692 -13.374 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.153 -12.539 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.443 -13.465 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.703 -14.682 -9.603 1.00 0.00 H new ATOM 1685 N GLY A 107 -3.189 -15.992 -7.935 1.00 0.00 N ATOM 1686 CA GLY A 107 -1.821 -16.437 -8.191 1.00 0.00 C ATOM 1687 C GLY A 107 -1.035 -16.712 -6.902 1.00 0.00 C ATOM 1688 O GLY A 107 -1.311 -17.687 -6.204 1.00 0.00 O ATOM 0 H GLY A 107 -3.888 -16.667 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.846 -17.343 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.300 -15.678 -8.774 1.00 0.00 H new ATOM 1692 N TYR A 108 -0.040 -15.871 -6.619 1.00 0.00 N ATOM 1693 CA TYR A 108 0.919 -15.920 -5.504 1.00 0.00 C ATOM 1694 C TYR A 108 1.805 -17.177 -5.349 1.00 0.00 C ATOM 1695 O TYR A 108 2.917 -17.031 -4.860 1.00 0.00 O ATOM 1696 CB TYR A 108 0.247 -15.523 -4.179 1.00 0.00 C ATOM 1697 CG TYR A 108 1.255 -15.073 -3.132 1.00 0.00 C ATOM 1698 CD1 TYR A 108 1.671 -13.728 -3.108 1.00 0.00 C ATOM 1699 CD2 TYR A 108 1.862 -16.008 -2.267 1.00 0.00 C ATOM 1700 CE1 TYR A 108 2.722 -13.325 -2.260 1.00 0.00 C ATOM 1701 CE2 TYR A 108 2.922 -15.613 -1.429 1.00 0.00 C ATOM 1702 CZ TYR A 108 3.366 -14.274 -1.439 1.00 0.00 C ATOM 1703 OH TYR A 108 4.438 -13.897 -0.694 1.00 0.00 O ATOM 0 H TYR A 108 0.135 -15.063 -7.216 1.00 0.00 H new ATOM 0 HA TYR A 108 1.657 -15.173 -5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.466 -14.719 -4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.320 -16.370 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 108 1.183 -13.002 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.512 -17.030 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 108 3.034 -12.291 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 108 3.395 -16.334 -0.779 1.00 0.00 H new ATOM 0 HH TYR A 108 4.768 -14.665 -0.183 1.00 0.00 H new ATOM 1713 N ASP A 109 1.409 -18.378 -5.781 1.00 0.00 N ATOM 1714 CA ASP A 109 2.186 -19.630 -5.647 1.00 0.00 C ATOM 1715 C ASP A 109 3.686 -19.445 -5.974 1.00 0.00 C ATOM 1716 O ASP A 109 4.058 -19.196 -7.127 1.00 0.00 O ATOM 1717 CB ASP A 109 1.543 -20.698 -6.553 1.00 0.00 C ATOM 1718 CG ASP A 109 2.318 -22.021 -6.631 1.00 0.00 C ATOM 1719 OD1 ASP A 109 2.963 -22.436 -5.639 1.00 0.00 O ATOM 1720 OD2 ASP A 109 2.272 -22.678 -7.692 1.00 0.00 O ATOM 0 H ASP A 109 0.513 -18.518 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 109 2.154 -19.949 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.535 -20.903 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.444 -20.290 -7.559 1.00 0.00 H new ATOM 1726 N ARG A 110 4.549 -19.535 -4.950 1.00 0.00 N ATOM 1727 CA ARG A 110 5.989 -19.182 -4.975 1.00 0.00 C ATOM 1728 C ARG A 110 6.876 -20.234 -5.672 1.00 0.00 C ATOM 1729 O ARG A 110 8.101 -20.229 -5.499 1.00 0.00 O ATOM 1730 CB ARG A 110 6.469 -18.925 -3.527 1.00 0.00 C ATOM 1731 CG ARG A 110 5.773 -17.794 -2.744 1.00 0.00 C ATOM 1732 CD ARG A 110 6.170 -16.378 -3.191 1.00 0.00 C ATOM 1733 NE ARG A 110 5.367 -15.926 -4.334 1.00 0.00 N ATOM 1734 CZ ARG A 110 5.265 -14.707 -4.825 1.00 0.00 C ATOM 1735 NH1 ARG A 110 5.992 -13.717 -4.396 1.00 0.00 N ATOM 1736 NH2 ARG A 110 4.410 -14.486 -5.781 1.00 0.00 N ATOM 0 H ARG A 110 4.253 -19.872 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 110 6.092 -18.278 -5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 110 6.350 -19.850 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.536 -18.707 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.694 -17.906 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.004 -17.906 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.043 -15.685 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 110 7.226 -16.364 -3.460 1.00 0.00 H new ATOM 0 HE ARG A 110 4.820 -16.645 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.673 -13.869 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.881 -12.789 -4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.834 -15.249 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.316 -13.550 -6.175 1.00 0.00 H new ATOM 1750 N SER A 111 6.260 -21.169 -6.400 1.00 0.00 N ATOM 1751 CA SER A 111 6.872 -22.363 -7.008 1.00 0.00 C ATOM 1752 C SER A 111 7.783 -22.044 -8.186 1.00 0.00 C ATOM 1753 O SER A 111 8.951 -22.496 -8.148 1.00 0.00 O ATOM 1754 CB SER A 111 5.780 -23.366 -7.393 1.00 0.00 C ATOM 1755 OG SER A 111 5.144 -23.825 -6.209 1.00 0.00 O ATOM 1756 OXT SER A 111 7.358 -21.383 -9.163 1.00 0.00 O ATOM 0 H SER A 111 5.260 -21.113 -6.595 1.00 0.00 H new ATOM 0 HA SER A 111 7.522 -22.811 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.052 -22.896 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.213 -24.205 -7.939 1.00 0.00 H new ATOM 0 HG SER A 111 4.571 -23.116 -5.850 1.00 0.00 H new TER 1762 SER A 111 ATOM 1763 N MET B -4 -3.948 0.238 -12.282 1.00 0.00 N ATOM 1764 CA MET B -4 -2.601 0.749 -11.958 1.00 0.00 C ATOM 1765 C MET B -4 -2.153 0.276 -10.579 1.00 0.00 C ATOM 1766 O MET B -4 -2.984 -0.054 -9.732 1.00 0.00 O ATOM 1767 CB MET B -4 -2.520 2.280 -12.066 1.00 0.00 C ATOM 1768 CG MET B -4 -3.186 3.038 -10.909 1.00 0.00 C ATOM 1769 SD MET B -4 -3.355 4.822 -11.173 1.00 0.00 S ATOM 1770 CE MET B -4 -1.637 5.328 -11.451 1.00 0.00 C ATOM 0 H1 MET B -4 -3.875 -0.489 -13.022 1.00 0.00 H new ATOM 0 H2 MET B -4 -4.376 -0.177 -11.430 1.00 0.00 H new ATOM 0 H3 MET B -4 -4.543 1.020 -12.622 1.00 0.00 H new ATOM 0 HA MET B -4 -1.917 0.338 -12.701 1.00 0.00 H new ATOM 0 HB2 MET B -4 -1.471 2.572 -12.119 1.00 0.00 H new ATOM 0 HB3 MET B -4 -2.985 2.590 -13.002 1.00 0.00 H new ATOM 0 HG2 MET B -4 -4.175 2.614 -10.737 1.00 0.00 H new ATOM 0 HG3 MET B -4 -2.606 2.872 -10.002 1.00 0.00 H new ATOM 0 HE1 MET B -4 -1.584 6.415 -11.520 1.00 0.00 H new ATOM 0 HE2 MET B -4 -1.018 4.987 -10.621 1.00 0.00 H new ATOM 0 HE3 MET B -4 -1.274 4.887 -12.379 1.00 0.00 H new ATOM 1781 N GLU B -3 -0.845 0.293 -10.321 1.00 0.00 N ATOM 1782 CA GLU B -3 -0.247 -0.030 -9.018 1.00 0.00 C ATOM 1783 C GLU B -3 1.074 0.733 -8.779 1.00 0.00 C ATOM 1784 O GLU B -3 1.693 1.259 -9.713 1.00 0.00 O ATOM 1785 CB GLU B -3 -0.070 -1.560 -8.880 1.00 0.00 C ATOM 1786 CG GLU B -3 0.817 -2.202 -9.959 1.00 0.00 C ATOM 1787 CD GLU B -3 0.948 -3.718 -9.760 1.00 0.00 C ATOM 1788 OE1 GLU B -3 0.289 -4.503 -10.488 1.00 0.00 O ATOM 1789 OE2 GLU B -3 1.736 -4.144 -8.878 1.00 0.00 O ATOM 0 H GLU B -3 -0.152 0.538 -11.028 1.00 0.00 H new ATOM 0 HA GLU B -3 -0.931 0.305 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU B -3 0.358 -1.776 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU B -3 -1.053 -2.030 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU B -3 0.396 -2.000 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU B -3 1.806 -1.745 -9.935 1.00 0.00 H new ATOM 1797 N GLU B -2 1.511 0.801 -7.519 1.00 0.00 N ATOM 1798 CA GLU B -2 2.821 1.337 -7.117 1.00 0.00 C ATOM 1799 C GLU B -2 3.751 0.176 -6.716 1.00 0.00 C ATOM 1800 O GLU B -2 4.252 -0.545 -7.581 1.00 0.00 O ATOM 1801 CB GLU B -2 2.689 2.416 -6.021 1.00 0.00 C ATOM 1802 CG GLU B -2 1.823 3.629 -6.410 1.00 0.00 C ATOM 1803 CD GLU B -2 1.345 4.399 -5.172 1.00 0.00 C ATOM 1804 OE1 GLU B -2 0.770 3.742 -4.270 1.00 0.00 O ATOM 1805 OE2 GLU B -2 1.497 5.647 -5.154 1.00 0.00 O ATOM 0 H GLU B -2 0.953 0.478 -6.729 1.00 0.00 H new ATOM 0 HA GLU B -2 3.275 1.847 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU B -2 2.266 1.957 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU B -2 3.686 2.769 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU B -2 2.396 4.295 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU B -2 0.961 3.292 -6.986 1.00 0.00 H new ATOM 1813 N VAL B -1 3.955 -0.056 -5.416 1.00 0.00 N ATOM 1814 CA VAL B -1 4.963 -0.973 -4.851 1.00 0.00 C ATOM 1815 C VAL B -1 4.412 -1.828 -3.701 1.00 0.00 C ATOM 1816 O VAL B -1 3.309 -1.576 -3.205 1.00 0.00 O ATOM 1817 CB VAL B -1 6.213 -0.187 -4.412 1.00 0.00 C ATOM 1818 CG1 VAL B -1 6.991 0.326 -5.624 1.00 0.00 C ATOM 1819 CG2 VAL B -1 5.903 0.987 -3.477 1.00 0.00 C ATOM 0 H VAL B -1 3.402 0.407 -4.694 1.00 0.00 H new ATOM 0 HA VAL B -1 5.243 -1.670 -5.641 1.00 0.00 H new ATOM 0 HB VAL B -1 6.819 -0.897 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL B -1 7.869 0.877 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL B -1 7.307 -0.518 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL B -1 6.353 0.985 -6.213 1.00 0.00 H new ATOM 0 HG21 VAL B -1 6.830 1.494 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL B -1 5.239 1.688 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL B -1 5.419 0.615 -2.574 1.00 0.00 H new ATOM 1829 N ASP B 0 5.163 -2.862 -3.315 1.00 0.00 N ATOM 1830 CA ASP B 0 4.806 -3.914 -2.339 1.00 0.00 C ATOM 1831 C ASP B 0 4.478 -3.411 -0.925 1.00 0.00 C ATOM 1832 O ASP B 0 5.292 -2.676 -0.328 1.00 0.00 O ATOM 1833 CB ASP B 0 5.971 -4.923 -2.321 1.00 0.00 C ATOM 1834 CG ASP B 0 5.811 -6.079 -1.324 1.00 0.00 C ATOM 1835 OD1 ASP B 0 6.481 -6.053 -0.259 1.00 0.00 O ATOM 1836 OD2 ASP B 0 5.101 -7.064 -1.648 1.00 0.00 O ATOM 1837 OXT ASP B 0 3.400 -3.763 -0.394 1.00 0.00 O ATOM 0 H ASP B 0 6.099 -3.003 -3.696 1.00 0.00 H new ATOM 0 HA ASP B 0 3.872 -4.372 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP B 0 6.087 -5.339 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP B 0 6.892 -4.388 -2.090 1.00 0.00 H new TER 1843 ASP B 0