USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 906 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 61 SER OG : rot -140:sc= 0.00931 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.01 X(o=-0.91,f=-0.95) USER MOD Set 1.3: A 66 SER OG : rot 46:sc= 0.0941 USER MOD Set 2.1: A 10 TYR OH : rot -98:sc= 1.8 USER MOD Set 2.2: A 60 THR OG1 : rot 38:sc= 1.61 USER MOD Set 3.1: A 40 GLN : amide:sc= -0.0656 K(o=-0.1,f=-0.65) USER MOD Set 3.2: A 47 MET CE :methyl -134:sc= -0.0248 (180deg=-3.53!) USER MOD Set 3.3: A 49 SER OG : rot -140:sc= -0.0116 USER MOD Set 4.1: A 4 MET CE :methyl 144:sc=-0.00666 (180deg=-0.497) USER MOD Set 4.2: A 28 SER OG : rot 180:sc=-6.57e-05 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0922 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.09) USER MOD Single : A 16 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-0.74) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.103 F(o=-0.61,f=-0.1) USER MOD Single : A 23 THR OG1 : rot 83:sc= 0.683 USER MOD Single : A 33 THR OG1 : rot -178:sc= 0.675 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 MET CE :methyl -155:sc= -0.0912 (180deg=-2.45) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.065) USER MOD Single : A 45 THR OG1 : rot -0:sc= 1.22 USER MOD Single : A 50 ASN : amide:sc= -0.146 K(o=-0.15,f=-2) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0894 X(o=-0.089,f=-0.4) USER MOD Single : A 68 SER OG : rot -127:sc= 1.32 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.839 X(o=-0.84,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= 1.15 K(o=1.1,f=-0.0034) USER MOD Single : A 86 TYR OH : rot -152:sc= 1.27 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.53 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.025) USER MOD Single : A 102 HIS : no HD1:sc= -0.0127 K(o=-0.013,f=-1.1) USER MOD Single : A 103 TYR OH : rot 60:sc= -0.117 USER MOD Single : A 107 LYS NZ :NH3+ -151:sc= -0.103 (180deg=-1.31) USER MOD Single : A 108 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 109 MET CE :methyl -108:sc= -1.75! (180deg=-3) USER MOD Single : A 113 ASN : amide:sc= 1.65 K(o=1.6,f=-0.69) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.574) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.424 -2.963 12.675 1.00 0.00 N ATOM 2 CA GLY A 1 -16.306 -3.561 11.664 1.00 0.00 C ATOM 3 C GLY A 1 -15.495 -4.238 10.564 1.00 0.00 C ATOM 4 O GLY A 1 -14.263 -4.163 10.531 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.570 -3.438 13.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.433 -3.075 12.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.644 -1.951 12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.965 -4.290 12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.943 -2.790 11.230 1.00 0.00 H new ATOM 8 N SER A 2 -16.175 -4.927 9.647 1.00 0.00 N ATOM 9 CA SER A 2 -15.546 -5.631 8.538 1.00 0.00 C ATOM 10 C SER A 2 -14.856 -4.666 7.558 1.00 0.00 C ATOM 11 O SER A 2 -15.083 -3.454 7.585 1.00 0.00 O ATOM 12 CB SER A 2 -16.614 -6.488 7.852 1.00 0.00 C ATOM 13 OG SER A 2 -17.111 -7.447 8.782 1.00 0.00 O ATOM 0 H SER A 2 -17.192 -5.011 9.657 1.00 0.00 H new ATOM 0 HA SER A 2 -14.751 -6.274 8.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.427 -5.858 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.191 -6.991 6.983 1.00 0.00 H new ATOM 0 HG SER A 2 -17.901 -7.889 8.406 1.00 0.00 H new ATOM 19 N HIS A 3 -13.984 -5.208 6.704 1.00 0.00 N ATOM 20 CA HIS A 3 -13.269 -4.477 5.649 1.00 0.00 C ATOM 21 C HIS A 3 -12.828 -5.437 4.545 1.00 0.00 C ATOM 22 O HIS A 3 -12.955 -5.099 3.372 1.00 0.00 O ATOM 23 CB HIS A 3 -12.045 -3.719 6.208 1.00 0.00 C ATOM 24 CG HIS A 3 -11.048 -4.596 6.928 1.00 0.00 C ATOM 25 ND1 HIS A 3 -11.289 -5.245 8.118 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.803 -4.976 6.488 1.00 0.00 C ATOM 27 CE1 HIS A 3 -10.244 -6.051 8.345 1.00 0.00 C ATOM 28 NE2 HIS A 3 -9.295 -5.894 7.415 1.00 0.00 N ATOM 0 H HIS A 3 -13.747 -6.200 6.727 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.958 -3.741 5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.539 -3.213 5.386 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.393 -2.946 6.893 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.308 -4.630 5.593 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.176 -6.740 9.174 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.384 -6.352 7.387 1.00 0.00 H new ATOM 36 N MET A 4 -12.361 -6.644 4.896 1.00 0.00 N ATOM 37 CA MET A 4 -11.847 -7.603 3.916 1.00 0.00 C ATOM 38 C MET A 4 -12.854 -7.954 2.823 1.00 0.00 C ATOM 39 O MET A 4 -12.444 -8.238 1.702 1.00 0.00 O ATOM 40 CB MET A 4 -11.293 -8.838 4.585 1.00 0.00 C ATOM 41 CG MET A 4 -9.982 -8.477 5.279 1.00 0.00 C ATOM 42 SD MET A 4 -8.719 -7.433 4.471 1.00 0.00 S ATOM 43 CE MET A 4 -7.705 -8.723 3.721 1.00 0.00 C ATOM 0 H MET A 4 -12.330 -6.978 5.859 1.00 0.00 H new ATOM 0 HA MET A 4 -11.024 -7.100 3.409 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.008 -9.228 5.309 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.126 -9.623 3.848 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.246 -7.984 6.215 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.494 -9.416 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.335 -8.379 2.755 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.862 -8.948 4.374 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.305 -9.622 3.580 1.00 0.00 H new ATOM 53 N GLU A 5 -14.158 -7.860 3.107 1.00 0.00 N ATOM 54 CA GLU A 5 -15.207 -8.150 2.133 1.00 0.00 C ATOM 55 C GLU A 5 -15.077 -7.271 0.897 1.00 0.00 C ATOM 56 O GLU A 5 -15.408 -7.689 -0.212 1.00 0.00 O ATOM 57 CB GLU A 5 -16.607 -7.893 2.713 1.00 0.00 C ATOM 58 CG GLU A 5 -16.842 -8.684 3.982 1.00 0.00 C ATOM 59 CD GLU A 5 -18.255 -8.528 4.553 1.00 0.00 C ATOM 60 OE1 GLU A 5 -19.267 -8.815 3.867 1.00 0.00 O ATOM 61 OE2 GLU A 5 -18.360 -8.133 5.733 1.00 0.00 O ATOM 0 H GLU A 5 -14.512 -7.580 4.022 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.087 -9.202 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.725 -6.829 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.362 -8.160 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.655 -9.739 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.119 -8.370 4.735 1.00 0.00 H new ATOM 68 N VAL A 6 -14.638 -6.031 1.097 1.00 0.00 N ATOM 69 CA VAL A 6 -14.518 -5.053 0.038 1.00 0.00 C ATOM 70 C VAL A 6 -13.355 -5.472 -0.871 1.00 0.00 C ATOM 71 O VAL A 6 -13.467 -5.470 -2.097 1.00 0.00 O ATOM 72 CB VAL A 6 -14.326 -3.653 0.667 1.00 0.00 C ATOM 73 CG1 VAL A 6 -14.124 -2.546 -0.376 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.536 -3.283 1.539 1.00 0.00 C ATOM 0 H VAL A 6 -14.354 -5.681 2.012 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.417 -5.003 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.420 -3.719 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.995 -1.589 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.237 -2.764 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.996 -2.497 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.383 -2.295 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.437 -3.274 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.647 -4.017 2.337 1.00 0.00 H new ATOM 84 N PHE A 7 -12.241 -5.871 -0.257 1.00 0.00 N ATOM 85 CA PHE A 7 -11.007 -6.222 -0.939 1.00 0.00 C ATOM 86 C PHE A 7 -11.050 -7.621 -1.561 1.00 0.00 C ATOM 87 O PHE A 7 -10.217 -7.946 -2.419 1.00 0.00 O ATOM 88 CB PHE A 7 -9.860 -6.066 0.075 1.00 0.00 C ATOM 89 CG PHE A 7 -9.656 -4.634 0.555 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.537 -3.587 -0.383 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.575 -4.336 1.930 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.344 -2.263 0.033 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.363 -3.010 2.345 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.245 -1.975 1.400 1.00 0.00 C ATOM 0 H PHE A 7 -12.176 -5.960 0.757 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.852 -5.553 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.059 -6.703 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.935 -6.423 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.596 -3.809 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.675 -5.124 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.272 -1.469 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.290 -2.784 3.399 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.078 -0.960 1.728 1.00 0.00 H new ATOM 104 N ALA A 8 -12.028 -8.440 -1.174 1.00 0.00 N ATOM 105 CA ALA A 8 -12.153 -9.837 -1.548 1.00 0.00 C ATOM 106 C ALA A 8 -12.357 -9.995 -3.049 1.00 0.00 C ATOM 107 O ALA A 8 -11.851 -10.946 -3.653 1.00 0.00 O ATOM 108 CB ALA A 8 -13.356 -10.410 -0.811 1.00 0.00 C ATOM 0 H ALA A 8 -12.784 -8.128 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.237 -10.364 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.476 -11.461 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.201 -10.319 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.253 -9.861 -1.096 1.00 0.00 H new ATOM 114 N GLU A 9 -13.064 -9.037 -3.645 1.00 0.00 N ATOM 115 CA GLU A 9 -13.407 -8.984 -5.058 1.00 0.00 C ATOM 116 C GLU A 9 -12.185 -8.846 -5.959 1.00 0.00 C ATOM 117 O GLU A 9 -12.274 -9.091 -7.161 1.00 0.00 O ATOM 118 CB GLU A 9 -14.304 -7.765 -5.279 1.00 0.00 C ATOM 119 CG GLU A 9 -15.718 -8.002 -4.780 1.00 0.00 C ATOM 120 CD GLU A 9 -16.702 -8.262 -5.927 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.893 -7.385 -6.808 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.205 -9.406 -6.010 1.00 0.00 O ATOM 0 H GLU A 9 -13.430 -8.238 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.903 -9.920 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.878 -6.903 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.330 -7.522 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.723 -8.853 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.050 -7.135 -4.209 1.00 0.00 H new ATOM 129 N TYR A 10 -11.048 -8.463 -5.390 1.00 0.00 N ATOM 130 CA TYR A 10 -9.790 -8.367 -6.090 1.00 0.00 C ATOM 131 C TYR A 10 -8.914 -9.572 -5.759 1.00 0.00 C ATOM 132 O TYR A 10 -8.297 -10.112 -6.673 1.00 0.00 O ATOM 133 CB TYR A 10 -9.157 -7.053 -5.683 1.00 0.00 C ATOM 134 CG TYR A 10 -7.892 -6.695 -6.414 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.968 -6.021 -7.640 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.643 -6.975 -5.836 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.800 -5.536 -8.249 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.468 -6.514 -6.447 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.552 -5.760 -7.638 1.00 0.00 C ATOM 140 OH TYR A 10 -4.432 -5.252 -8.203 1.00 0.00 O ATOM 0 H TYR A 10 -10.983 -8.206 -4.405 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.924 -8.380 -7.172 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.884 -6.255 -5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.943 -7.087 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.926 -5.875 -8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.587 -7.546 -4.921 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.859 -4.994 -9.181 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.505 -6.734 -6.010 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.989 -5.947 -8.734 1.00 0.00 H new ATOM 150 N LEU A 11 -8.924 -10.069 -4.507 1.00 0.00 N ATOM 151 CA LEU A 11 -8.243 -11.325 -4.163 1.00 0.00 C ATOM 152 C LEU A 11 -8.701 -12.454 -5.085 1.00 0.00 C ATOM 153 O LEU A 11 -7.879 -13.251 -5.535 1.00 0.00 O ATOM 154 CB LEU A 11 -8.447 -11.761 -2.693 1.00 0.00 C ATOM 155 CG LEU A 11 -7.501 -11.200 -1.614 1.00 0.00 C ATOM 156 CD1 LEU A 11 -6.011 -11.348 -1.953 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.798 -9.747 -1.271 1.00 0.00 C ATOM 0 H LEU A 11 -9.395 -9.619 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.179 -11.128 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.465 -11.497 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.379 -12.848 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.704 -11.820 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.411 -10.930 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.769 -12.404 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.794 -10.816 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.102 -9.404 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.687 -9.132 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.818 -9.663 -0.897 1.00 0.00 H new ATOM 169 N LYS A 12 -9.999 -12.497 -5.403 1.00 0.00 N ATOM 170 CA LYS A 12 -10.575 -13.500 -6.287 1.00 0.00 C ATOM 171 C LYS A 12 -9.925 -13.483 -7.679 1.00 0.00 C ATOM 172 O LYS A 12 -9.838 -14.526 -8.320 1.00 0.00 O ATOM 173 CB LYS A 12 -12.109 -13.328 -6.299 1.00 0.00 C ATOM 174 CG LYS A 12 -12.673 -12.443 -7.407 1.00 0.00 C ATOM 175 CD LYS A 12 -14.171 -12.214 -7.168 1.00 0.00 C ATOM 176 CE LYS A 12 -14.641 -11.075 -8.064 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.102 -10.885 -8.009 1.00 0.00 N ATOM 0 H LYS A 12 -10.681 -11.827 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.359 -14.500 -5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.565 -14.315 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.416 -12.914 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.147 -11.488 -7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.517 -12.914 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.732 -13.123 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.354 -11.971 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.145 -10.152 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.342 -11.278 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.388 -10.182 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.577 -11.789 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.373 -10.550 -7.063 1.00 0.00 H new ATOM 191 N GLY A 13 -9.447 -12.329 -8.138 1.00 0.00 N ATOM 192 CA GLY A 13 -8.899 -12.141 -9.477 1.00 0.00 C ATOM 193 C GLY A 13 -7.380 -12.290 -9.569 1.00 0.00 C ATOM 194 O GLY A 13 -6.843 -12.230 -10.676 1.00 0.00 O ATOM 0 H GLY A 13 -9.430 -11.479 -7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.363 -12.862 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.176 -11.149 -9.833 1.00 0.00 H new ATOM 198 N ILE A 14 -6.670 -12.481 -8.447 1.00 0.00 N ATOM 199 CA ILE A 14 -5.211 -12.555 -8.411 1.00 0.00 C ATOM 200 C ILE A 14 -4.738 -13.670 -9.342 1.00 0.00 C ATOM 201 O ILE A 14 -5.206 -14.811 -9.275 1.00 0.00 O ATOM 202 CB ILE A 14 -4.692 -12.760 -6.973 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.147 -11.655 -5.991 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.160 -12.919 -6.987 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.130 -10.587 -5.591 1.00 0.00 C ATOM 0 H ILE A 14 -7.103 -12.589 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.800 -11.607 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.141 -13.678 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.006 -11.149 -6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.496 -12.141 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.800 -13.063 -5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.889 -13.783 -7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.705 -12.023 -7.409 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.594 -9.883 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.276 -11.061 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.793 -10.054 -6.480 1.00 0.00 H new ATOM 217 N ASP A 15 -3.744 -13.325 -10.156 1.00 0.00 N ATOM 218 CA ASP A 15 -3.208 -14.136 -11.232 1.00 0.00 C ATOM 219 C ASP A 15 -2.614 -15.408 -10.637 1.00 0.00 C ATOM 220 O ASP A 15 -2.984 -16.514 -11.033 1.00 0.00 O ATOM 221 CB ASP A 15 -2.163 -13.297 -11.981 1.00 0.00 C ATOM 222 CG ASP A 15 -1.959 -13.747 -13.421 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.447 -14.859 -13.641 1.00 0.00 O ATOM 224 OD2 ASP A 15 -2.249 -12.930 -14.330 1.00 0.00 O ATOM 0 H ASP A 15 -3.270 -12.425 -10.074 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.980 -14.435 -11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.471 -12.252 -11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.212 -13.353 -11.451 1.00 0.00 H new ATOM 229 N HIS A 16 -1.778 -15.258 -9.601 1.00 0.00 N ATOM 230 CA HIS A 16 -1.082 -16.373 -8.988 1.00 0.00 C ATOM 231 C HIS A 16 -0.991 -16.263 -7.469 1.00 0.00 C ATOM 232 O HIS A 16 -0.740 -15.179 -6.936 1.00 0.00 O ATOM 233 CB HIS A 16 0.293 -16.468 -9.634 1.00 0.00 C ATOM 234 CG HIS A 16 0.409 -17.590 -10.638 1.00 0.00 C ATOM 235 ND1 HIS A 16 0.752 -18.905 -10.382 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.166 -17.480 -11.980 1.00 0.00 C ATOM 237 CE1 HIS A 16 0.709 -19.573 -11.546 1.00 0.00 C ATOM 238 NE2 HIS A 16 0.404 -18.736 -12.552 1.00 0.00 N ATOM 0 H HIS A 16 -1.572 -14.356 -9.172 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.649 -17.287 -9.162 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.520 -15.523 -10.128 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.043 -16.608 -8.855 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.151 -16.589 -12.502 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.893 -20.631 -11.658 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.355 -18.971 -13.543 1.00 0.00 H new ATOM 246 N PRO A 17 -1.084 -17.405 -6.766 1.00 0.00 N ATOM 247 CA PRO A 17 -1.083 -17.454 -5.314 1.00 0.00 C ATOM 248 C PRO A 17 0.297 -17.134 -4.751 1.00 0.00 C ATOM 249 O PRO A 17 0.384 -16.651 -3.621 1.00 0.00 O ATOM 250 CB PRO A 17 -1.504 -18.873 -4.951 1.00 0.00 C ATOM 251 CG PRO A 17 -0.995 -19.685 -6.132 1.00 0.00 C ATOM 252 CD PRO A 17 -1.219 -18.750 -7.305 1.00 0.00 C ATOM 0 HA PRO A 17 -1.761 -16.712 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.057 -19.200 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.585 -18.958 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.057 -19.947 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.546 -20.619 -6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.490 -18.931 -8.095 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.206 -18.900 -7.742 1.00 0.00 H new ATOM 260 N ASP A 18 1.354 -17.317 -5.550 1.00 0.00 N ATOM 261 CA ASP A 18 2.707 -16.930 -5.184 1.00 0.00 C ATOM 262 C ASP A 18 2.821 -15.411 -5.076 1.00 0.00 C ATOM 263 O ASP A 18 3.849 -14.939 -4.599 1.00 0.00 O ATOM 264 CB ASP A 18 3.728 -17.526 -6.170 1.00 0.00 C ATOM 265 CG ASP A 18 4.327 -18.823 -5.615 1.00 0.00 C ATOM 266 OD1 ASP A 18 3.560 -19.752 -5.279 1.00 0.00 O ATOM 267 OD2 ASP A 18 5.569 -18.984 -5.554 1.00 0.00 O ATOM 0 H ASP A 18 1.286 -17.742 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 18 2.938 -17.339 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.244 -17.724 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.523 -16.804 -6.358 1.00 0.00 H new ATOM 272 N HIS A 19 1.769 -14.648 -5.436 1.00 0.00 N ATOM 273 CA HIS A 19 1.732 -13.206 -5.141 1.00 0.00 C ATOM 274 C HIS A 19 0.480 -12.768 -4.361 1.00 0.00 C ATOM 275 O HIS A 19 0.386 -11.624 -3.908 1.00 0.00 O ATOM 276 CB HIS A 19 1.892 -12.408 -6.448 1.00 0.00 C ATOM 277 CG HIS A 19 2.686 -13.139 -7.504 1.00 0.00 C ATOM 278 ND1 HIS A 19 4.008 -13.479 -7.399 1.00 0.00 N flip ATOM 279 CD2 HIS A 19 2.129 -13.928 -8.486 1.00 0.00 C flip ATOM 280 CE1 HIS A 19 4.249 -14.512 -8.306 1.00 0.00 C flip ATOM 281 NE2 HIS A 19 3.082 -14.777 -8.906 1.00 0.00 N flip ATOM 0 H HIS A 19 0.946 -15.002 -5.924 1.00 0.00 H new ATOM 0 HA HIS A 19 2.569 -12.990 -4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.904 -12.173 -6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.381 -11.459 -6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.114 -13.874 -8.851 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.194 -15.002 -8.488 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.936 -15.521 -9.588 1.00 0.00 H new ATOM 289 N ARG A 20 -0.504 -13.659 -4.201 1.00 0.00 N ATOM 290 CA ARG A 20 -1.741 -13.381 -3.477 1.00 0.00 C ATOM 291 C ARG A 20 -1.449 -13.116 -2.010 1.00 0.00 C ATOM 292 O ARG A 20 -1.757 -12.039 -1.507 1.00 0.00 O ATOM 293 CB ARG A 20 -2.721 -14.552 -3.642 1.00 0.00 C ATOM 294 CG ARG A 20 -4.066 -14.175 -3.020 1.00 0.00 C ATOM 295 CD ARG A 20 -5.073 -15.309 -3.095 1.00 0.00 C ATOM 296 NE ARG A 20 -5.495 -15.614 -4.464 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.638 -16.224 -4.796 1.00 0.00 C ATOM 298 NH1 ARG A 20 -7.399 -16.796 -3.863 1.00 0.00 N ATOM 299 NH2 ARG A 20 -7.007 -16.251 -6.067 1.00 0.00 N ATOM 0 H ARG A 20 -0.459 -14.606 -4.578 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.203 -12.486 -3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.849 -14.788 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.323 -15.446 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.916 -13.894 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.468 -13.300 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.638 -16.203 -2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.949 -15.049 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.870 -15.340 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.112 -16.771 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.269 -17.258 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.422 -15.810 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.876 -16.712 -6.336 1.00 0.00 H new ATOM 313 N ASP A 21 -0.878 -14.122 -1.360 1.00 0.00 N ATOM 314 CA ASP A 21 -0.483 -14.152 0.045 1.00 0.00 C ATOM 315 C ASP A 21 0.258 -12.874 0.441 1.00 0.00 C ATOM 316 O ASP A 21 -0.050 -12.285 1.471 1.00 0.00 O ATOM 317 CB ASP A 21 0.399 -15.387 0.284 1.00 0.00 C ATOM 318 CG ASP A 21 0.249 -15.996 1.668 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.931 -15.512 2.596 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.415 -17.056 1.766 1.00 0.00 O ATOM 0 H ASP A 21 -0.663 -15.000 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.377 -14.211 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.157 -16.143 -0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.442 -15.111 0.131 1.00 0.00 H new ATOM 325 N ARG A 22 1.202 -12.405 -0.394 1.00 0.00 N ATOM 326 CA ARG A 22 1.963 -11.179 -0.116 1.00 0.00 C ATOM 327 C ARG A 22 1.017 -9.993 0.056 1.00 0.00 C ATOM 328 O ARG A 22 1.154 -9.235 1.015 1.00 0.00 O ATOM 329 CB ARG A 22 2.993 -10.871 -1.229 1.00 0.00 C ATOM 330 CG ARG A 22 4.010 -11.962 -1.621 1.00 0.00 C ATOM 331 CD ARG A 22 4.841 -12.538 -0.468 1.00 0.00 C ATOM 332 NE ARG A 22 4.040 -13.427 0.395 1.00 0.00 N ATOM 333 CZ ARG A 22 4.245 -13.650 1.701 1.00 0.00 C ATOM 334 NH1 ARG A 22 5.330 -13.192 2.309 1.00 0.00 N ATOM 335 NH2 ARG A 22 3.390 -14.338 2.446 1.00 0.00 N ATOM 0 H ARG A 22 1.455 -12.861 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 22 2.513 -11.344 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.438 -10.599 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.556 -9.989 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.472 -12.779 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.691 -11.548 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.689 -13.091 -0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.248 -11.722 0.129 1.00 0.00 H new ATOM 0 HE ARG A 22 3.259 -13.917 -0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.024 -12.661 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.471 -13.370 3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.541 -14.719 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.582 -14.486 3.437 1.00 0.00 H new ATOM 349 N THR A 23 0.078 -9.847 -0.875 1.00 0.00 N ATOM 350 CA THR A 23 -0.896 -8.769 -0.916 1.00 0.00 C ATOM 351 C THR A 23 -1.845 -8.874 0.293 1.00 0.00 C ATOM 352 O THR A 23 -2.115 -7.871 0.957 1.00 0.00 O ATOM 353 CB THR A 23 -1.636 -8.854 -2.270 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.759 -9.016 -3.373 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.456 -7.598 -2.566 1.00 0.00 C ATOM 0 H THR A 23 -0.026 -10.503 -1.649 1.00 0.00 H new ATOM 0 HA THR A 23 -0.417 -7.793 -0.845 1.00 0.00 H new ATOM 0 HB THR A 23 -2.279 -9.728 -2.161 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.522 -9.962 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.956 -7.708 -3.528 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.202 -7.458 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.796 -6.731 -2.598 1.00 0.00 H new ATOM 363 N GLU A 24 -2.342 -10.080 0.599 1.00 0.00 N ATOM 364 CA GLU A 24 -3.138 -10.377 1.789 1.00 0.00 C ATOM 365 C GLU A 24 -2.457 -9.902 3.077 1.00 0.00 C ATOM 366 O GLU A 24 -3.144 -9.390 3.967 1.00 0.00 O ATOM 367 CB GLU A 24 -3.409 -11.897 1.891 1.00 0.00 C ATOM 368 CG GLU A 24 -4.836 -12.326 1.545 1.00 0.00 C ATOM 369 CD GLU A 24 -5.901 -11.500 2.265 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.794 -11.307 3.499 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.845 -11.037 1.595 1.00 0.00 O ATOM 0 H GLU A 24 -2.195 -10.897 0.006 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.078 -9.835 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.719 -12.419 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.184 -12.223 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.984 -12.240 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.965 -13.377 1.801 1.00 0.00 H new ATOM 378 N GLU A 25 -1.136 -10.086 3.204 1.00 0.00 N ATOM 379 CA GLU A 25 -0.425 -9.680 4.411 1.00 0.00 C ATOM 380 C GLU A 25 -0.581 -8.169 4.619 1.00 0.00 C ATOM 381 O GLU A 25 -0.978 -7.718 5.695 1.00 0.00 O ATOM 382 CB GLU A 25 1.069 -10.028 4.386 1.00 0.00 C ATOM 383 CG GLU A 25 1.426 -11.510 4.249 1.00 0.00 C ATOM 384 CD GLU A 25 2.600 -11.888 5.161 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.637 -11.178 5.180 1.00 0.00 O ATOM 386 OE2 GLU A 25 2.494 -12.889 5.911 1.00 0.00 O ATOM 0 H GLU A 25 -0.547 -10.511 2.488 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.872 -10.238 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.530 -9.489 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.522 -9.652 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.558 -12.120 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.682 -11.730 3.213 1.00 0.00 H new ATOM 393 N ILE A 26 -0.257 -7.390 3.582 1.00 0.00 N ATOM 394 CA ILE A 26 -0.267 -5.932 3.611 1.00 0.00 C ATOM 395 C ILE A 26 -1.686 -5.421 3.894 1.00 0.00 C ATOM 396 O ILE A 26 -1.844 -4.445 4.628 1.00 0.00 O ATOM 397 CB ILE A 26 0.277 -5.406 2.264 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.809 -5.601 2.111 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.063 -3.922 2.044 1.00 0.00 C ATOM 400 CD1 ILE A 26 2.166 -5.940 0.662 1.00 0.00 C ATOM 0 H ILE A 26 0.026 -7.770 2.679 1.00 0.00 H new ATOM 0 HA ILE A 26 0.374 -5.563 4.412 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.222 -6.007 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.329 -4.693 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.147 -6.400 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.339 -3.595 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.145 -3.792 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.376 -3.326 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.244 -6.073 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.662 -6.861 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.846 -5.128 0.009 1.00 0.00 H new ATOM 412 N LEU A 27 -2.711 -6.027 3.286 1.00 0.00 N ATOM 413 CA LEU A 27 -4.089 -5.557 3.406 1.00 0.00 C ATOM 414 C LEU A 27 -4.551 -5.619 4.854 1.00 0.00 C ATOM 415 O LEU A 27 -4.956 -4.595 5.409 1.00 0.00 O ATOM 416 CB LEU A 27 -5.028 -6.392 2.534 1.00 0.00 C ATOM 417 CG LEU A 27 -5.026 -5.974 1.063 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.600 -7.103 0.213 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.894 -4.729 0.845 1.00 0.00 C ATOM 0 H LEU A 27 -2.606 -6.855 2.699 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.118 -4.522 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.741 -7.441 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.042 -6.311 2.925 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.997 -5.754 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.599 -6.806 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.990 -7.998 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.622 -7.313 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.876 -4.453 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.919 -4.943 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.505 -3.905 1.443 1.00 0.00 H new ATOM 431 N SER A 28 -4.486 -6.810 5.456 1.00 0.00 N ATOM 432 CA SER A 28 -4.864 -6.998 6.837 1.00 0.00 C ATOM 433 C SER A 28 -3.981 -6.125 7.742 1.00 0.00 C ATOM 434 O SER A 28 -4.512 -5.580 8.711 1.00 0.00 O ATOM 435 CB SER A 28 -4.696 -8.480 7.179 1.00 0.00 C ATOM 436 OG SER A 28 -5.753 -9.262 6.647 1.00 0.00 O ATOM 0 H SER A 28 -4.169 -7.661 4.991 1.00 0.00 H new ATOM 0 HA SER A 28 -5.901 -6.702 6.995 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.744 -8.839 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.661 -8.602 8.262 1.00 0.00 H new ATOM 0 HG SER A 28 -5.614 -10.203 6.882 1.00 0.00 H new ATOM 442 N TRP A 29 -2.683 -5.967 7.421 1.00 0.00 N ATOM 443 CA TRP A 29 -1.752 -5.128 8.168 1.00 0.00 C ATOM 444 C TRP A 29 -2.231 -3.681 8.197 1.00 0.00 C ATOM 445 O TRP A 29 -2.487 -3.184 9.281 1.00 0.00 O ATOM 446 CB TRP A 29 -0.326 -5.244 7.613 1.00 0.00 C ATOM 447 CG TRP A 29 0.721 -4.429 8.311 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.257 -4.711 9.518 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.374 -3.200 7.871 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.210 -3.766 9.840 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.305 -2.795 8.870 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.269 -2.382 6.728 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.092 -1.642 8.739 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.083 -1.242 6.562 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.001 -0.882 7.564 1.00 0.00 C ATOM 0 H TRP A 29 -2.253 -6.430 6.620 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.724 -5.487 9.197 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.027 -6.292 7.651 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.342 -4.955 6.562 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.981 -5.551 10.139 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.773 -3.785 10.690 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.550 -2.633 5.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.760 -1.343 9.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.001 -0.646 5.665 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.637 -0.019 7.429 1.00 0.00 H new ATOM 466 N VAL A 30 -2.409 -3.007 7.054 1.00 0.00 N ATOM 467 CA VAL A 30 -2.837 -1.605 7.038 1.00 0.00 C ATOM 468 C VAL A 30 -4.105 -1.417 7.874 1.00 0.00 C ATOM 469 O VAL A 30 -4.160 -0.497 8.691 1.00 0.00 O ATOM 470 CB VAL A 30 -3.022 -1.097 5.591 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.818 0.220 5.541 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.663 -0.887 4.902 1.00 0.00 C ATOM 0 H VAL A 30 -2.263 -3.411 6.129 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.052 -1.001 7.492 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.586 -1.866 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.925 0.541 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.805 0.065 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.288 0.987 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.822 -0.529 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.083 -0.151 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.120 -1.832 4.874 1.00 0.00 H new ATOM 482 N ALA A 31 -5.094 -2.293 7.682 1.00 0.00 N ATOM 483 CA ALA A 31 -6.351 -2.239 8.406 1.00 0.00 C ATOM 484 C ALA A 31 -6.148 -2.375 9.924 1.00 0.00 C ATOM 485 O ALA A 31 -6.932 -1.819 10.696 1.00 0.00 O ATOM 486 CB ALA A 31 -7.262 -3.340 7.857 1.00 0.00 C ATOM 0 H ALA A 31 -5.038 -3.062 7.014 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.816 -1.264 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.215 -3.321 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.433 -3.174 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.787 -4.311 8.001 1.00 0.00 H new ATOM 492 N ALA A 32 -5.107 -3.091 10.359 1.00 0.00 N ATOM 493 CA ALA A 32 -4.760 -3.251 11.761 1.00 0.00 C ATOM 494 C ALA A 32 -3.975 -2.036 12.262 1.00 0.00 C ATOM 495 O ALA A 32 -4.413 -1.370 13.200 1.00 0.00 O ATOM 496 CB ALA A 32 -3.978 -4.554 11.971 1.00 0.00 C ATOM 0 H ALA A 32 -4.474 -3.583 9.728 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.677 -3.315 12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.725 -4.660 13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.590 -5.400 11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.063 -4.529 11.379 1.00 0.00 H new ATOM 502 N THR A 33 -2.809 -1.771 11.674 1.00 0.00 N ATOM 503 CA THR A 33 -1.826 -0.804 12.145 1.00 0.00 C ATOM 504 C THR A 33 -2.355 0.630 12.067 1.00 0.00 C ATOM 505 O THR A 33 -1.984 1.455 12.903 1.00 0.00 O ATOM 506 CB THR A 33 -0.545 -0.936 11.299 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.277 -2.273 10.941 1.00 0.00 O ATOM 508 CG2 THR A 33 0.711 -0.405 12.002 1.00 0.00 C ATOM 0 H THR A 33 -2.514 -2.246 10.821 1.00 0.00 H new ATOM 0 HA THR A 33 -1.612 -1.017 13.192 1.00 0.00 H new ATOM 0 HB THR A 33 -0.753 -0.331 10.417 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.562 -2.315 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.574 -0.530 11.348 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.580 0.652 12.232 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.873 -0.960 12.926 1.00 0.00 H new ATOM 516 N PHE A 34 -3.213 0.946 11.088 1.00 0.00 N ATOM 517 CA PHE A 34 -3.674 2.306 10.834 1.00 0.00 C ATOM 518 C PHE A 34 -5.206 2.322 10.799 1.00 0.00 C ATOM 519 O PHE A 34 -5.799 2.642 9.769 1.00 0.00 O ATOM 520 CB PHE A 34 -3.024 2.867 9.558 1.00 0.00 C ATOM 521 CG PHE A 34 -1.568 2.495 9.353 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.571 2.906 10.257 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.230 1.650 8.283 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.735 2.415 10.108 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.076 1.179 8.113 1.00 0.00 C ATOM 526 CZ PHE A 34 1.049 1.544 9.049 1.00 0.00 C ATOM 0 H PHE A 34 -3.606 0.256 10.448 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.363 2.969 11.641 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.595 2.520 8.697 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.105 3.954 9.577 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.808 3.592 11.057 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.994 1.358 7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.502 2.707 10.809 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.328 0.546 7.275 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.052 1.153 8.958 1.00 0.00 H new ATOM 536 N PRO A 35 -5.881 2.003 11.915 1.00 0.00 N ATOM 537 CA PRO A 35 -7.298 1.642 11.928 1.00 0.00 C ATOM 538 C PRO A 35 -8.241 2.812 11.618 1.00 0.00 C ATOM 539 O PRO A 35 -9.447 2.602 11.487 1.00 0.00 O ATOM 540 CB PRO A 35 -7.543 1.093 13.337 1.00 0.00 C ATOM 541 CG PRO A 35 -6.531 1.865 14.180 1.00 0.00 C ATOM 542 CD PRO A 35 -5.325 1.944 13.258 1.00 0.00 C ATOM 0 HA PRO A 35 -7.514 0.919 11.141 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.566 1.271 13.669 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.375 0.017 13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.900 2.854 14.451 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.298 1.346 15.110 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.720 2.825 13.474 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.678 1.075 13.379 1.00 0.00 H new ATOM 550 N ASN A 36 -7.739 4.051 11.541 1.00 0.00 N ATOM 551 CA ASN A 36 -8.524 5.184 11.055 1.00 0.00 C ATOM 552 C ASN A 36 -8.747 5.114 9.539 1.00 0.00 C ATOM 553 O ASN A 36 -9.751 5.641 9.050 1.00 0.00 O ATOM 554 CB ASN A 36 -7.864 6.521 11.442 1.00 0.00 C ATOM 555 CG ASN A 36 -8.687 7.270 12.487 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.887 7.487 12.321 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.091 7.603 13.618 1.00 0.00 N ATOM 0 H ASN A 36 -6.785 4.291 11.812 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.500 5.128 11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.863 6.335 11.831 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.750 7.142 10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.626 8.045 14.365 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.096 7.418 13.744 1.00 0.00 H new ATOM 564 N LEU A 37 -7.850 4.459 8.788 1.00 0.00 N ATOM 565 CA LEU A 37 -8.042 4.234 7.359 1.00 0.00 C ATOM 566 C LEU A 37 -9.243 3.301 7.170 1.00 0.00 C ATOM 567 O LEU A 37 -9.479 2.417 7.993 1.00 0.00 O ATOM 568 CB LEU A 37 -6.809 3.571 6.720 1.00 0.00 C ATOM 569 CG LEU A 37 -5.574 4.476 6.560 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.430 3.647 5.978 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.839 5.648 5.613 1.00 0.00 C ATOM 0 H LEU A 37 -6.979 4.075 9.156 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.205 5.199 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.529 2.708 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.090 3.194 5.737 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.325 4.876 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.548 4.277 5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.199 2.822 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.726 3.250 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.940 6.259 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.110 5.266 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.656 6.254 6.004 1.00 0.00 H new ATOM 583 N GLU A 38 -9.956 3.445 6.056 1.00 0.00 N ATOM 584 CA GLU A 38 -11.200 2.769 5.718 1.00 0.00 C ATOM 585 C GLU A 38 -11.127 2.171 4.305 1.00 0.00 C ATOM 586 O GLU A 38 -10.460 2.755 3.454 1.00 0.00 O ATOM 587 CB GLU A 38 -12.296 3.838 5.745 1.00 0.00 C ATOM 588 CG GLU A 38 -12.819 4.090 7.159 1.00 0.00 C ATOM 589 CD GLU A 38 -13.845 3.020 7.518 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.973 3.071 6.978 1.00 0.00 O ATOM 591 OE2 GLU A 38 -13.515 2.060 8.248 1.00 0.00 O ATOM 0 H GLU A 38 -9.657 4.081 5.317 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.395 1.959 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.905 4.768 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.121 3.527 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.995 4.073 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.272 5.079 7.220 1.00 0.00 H new ATOM 598 N PRO A 39 -11.826 1.061 4.010 1.00 0.00 N ATOM 599 CA PRO A 39 -11.736 0.372 2.720 1.00 0.00 C ATOM 600 C PRO A 39 -12.477 1.103 1.591 1.00 0.00 C ATOM 601 O PRO A 39 -13.490 1.766 1.844 1.00 0.00 O ATOM 602 CB PRO A 39 -12.381 -0.997 2.967 1.00 0.00 C ATOM 603 CG PRO A 39 -13.394 -0.721 4.079 1.00 0.00 C ATOM 604 CD PRO A 39 -12.686 0.329 4.928 1.00 0.00 C ATOM 0 HA PRO A 39 -10.699 0.315 2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.866 -1.380 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.643 -1.739 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.339 -0.350 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.620 -1.620 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.404 0.995 5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.104 -0.137 5.723 1.00 0.00 H new ATOM 612 N GLN A 40 -12.033 0.919 0.340 1.00 0.00 N ATOM 613 CA GLN A 40 -12.715 1.303 -0.883 1.00 0.00 C ATOM 614 C GLN A 40 -12.201 0.426 -2.039 1.00 0.00 C ATOM 615 O GLN A 40 -10.992 0.350 -2.268 1.00 0.00 O ATOM 616 CB GLN A 40 -12.444 2.799 -1.142 1.00 0.00 C ATOM 617 CG GLN A 40 -13.762 3.560 -1.126 1.00 0.00 C ATOM 618 CD GLN A 40 -13.601 5.061 -1.360 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.932 5.594 -2.415 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.095 5.799 -0.389 1.00 0.00 N ATOM 0 H GLN A 40 -11.135 0.471 0.154 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.791 1.154 -0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.773 3.196 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.948 2.929 -2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.419 3.149 -1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.253 3.400 -0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.818 5.364 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.982 6.804 -0.519 1.00 0.00 H new ATOM 629 N MET A 41 -13.098 -0.233 -2.776 1.00 0.00 N ATOM 630 CA MET A 41 -12.793 -0.948 -4.018 1.00 0.00 C ATOM 631 C MET A 41 -12.925 0.064 -5.157 1.00 0.00 C ATOM 632 O MET A 41 -14.047 0.412 -5.535 1.00 0.00 O ATOM 633 CB MET A 41 -13.780 -2.128 -4.159 1.00 0.00 C ATOM 634 CG MET A 41 -13.852 -2.818 -5.533 1.00 0.00 C ATOM 635 SD MET A 41 -12.729 -4.208 -5.870 1.00 0.00 S ATOM 636 CE MET A 41 -11.122 -3.382 -5.828 1.00 0.00 C ATOM 0 H MET A 41 -14.084 -0.286 -2.519 1.00 0.00 H new ATOM 0 HA MET A 41 -11.786 -1.364 -4.031 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.517 -2.880 -3.415 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.778 -1.767 -3.908 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.872 -3.176 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.676 -2.058 -6.294 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.407 -3.947 -6.426 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.220 -2.375 -6.234 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.769 -3.325 -4.798 1.00 0.00 H new ATOM 646 N LYS A 42 -11.820 0.588 -5.704 1.00 0.00 N ATOM 647 CA LYS A 42 -11.892 1.752 -6.597 1.00 0.00 C ATOM 648 C LYS A 42 -10.773 1.726 -7.621 1.00 0.00 C ATOM 649 O LYS A 42 -9.668 1.331 -7.266 1.00 0.00 O ATOM 650 CB LYS A 42 -11.777 2.997 -5.714 1.00 0.00 C ATOM 651 CG LYS A 42 -12.355 4.253 -6.368 1.00 0.00 C ATOM 652 CD LYS A 42 -13.171 5.018 -5.323 1.00 0.00 C ATOM 653 CE LYS A 42 -13.742 6.310 -5.891 1.00 0.00 C ATOM 654 NZ LYS A 42 -12.832 7.448 -5.697 1.00 0.00 N ATOM 0 H LYS A 42 -10.878 0.230 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.830 1.748 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.293 2.815 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.728 3.170 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.553 4.881 -6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.985 3.982 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.984 4.388 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.540 5.246 -4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.940 6.182 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.698 6.525 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.260 8.307 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.663 7.588 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.929 7.255 -6.175 1.00 0.00 H new ATOM 668 N TRP A 43 -11.032 2.118 -8.874 1.00 0.00 N ATOM 669 CA TRP A 43 -10.200 1.799 -10.044 1.00 0.00 C ATOM 670 C TRP A 43 -9.977 0.282 -10.195 1.00 0.00 C ATOM 671 O TRP A 43 -9.007 -0.157 -10.806 1.00 0.00 O ATOM 672 CB TRP A 43 -8.907 2.633 -10.039 1.00 0.00 C ATOM 673 CG TRP A 43 -9.045 4.018 -10.587 1.00 0.00 C ATOM 674 CD1 TRP A 43 -9.736 5.038 -10.031 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.483 4.543 -11.823 1.00 0.00 C ATOM 676 NE1 TRP A 43 -9.649 6.153 -10.840 1.00 0.00 N ATOM 677 CE2 TRP A 43 -8.872 5.908 -11.955 1.00 0.00 C ATOM 678 CE3 TRP A 43 -7.682 3.999 -12.851 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -8.470 6.692 -13.048 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.270 4.776 -13.946 1.00 0.00 C ATOM 681 CH2 TRP A 43 -7.657 6.120 -14.043 1.00 0.00 C ATOM 0 H TRP A 43 -11.849 2.682 -9.110 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.739 2.089 -10.946 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.539 2.699 -9.015 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.149 2.104 -10.617 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.274 4.988 -9.096 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.101 7.045 -10.640 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.380 2.964 -12.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.782 7.723 -13.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.653 4.337 -14.716 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.331 6.716 -14.882 1.00 0.00 H new ATOM 692 N ASN A 44 -10.860 -0.532 -9.606 1.00 0.00 N ATOM 693 CA ASN A 44 -10.651 -1.953 -9.306 1.00 0.00 C ATOM 694 C ASN A 44 -9.369 -2.209 -8.500 1.00 0.00 C ATOM 695 O ASN A 44 -8.943 -3.349 -8.397 1.00 0.00 O ATOM 696 CB ASN A 44 -10.703 -2.816 -10.581 1.00 0.00 C ATOM 697 CG ASN A 44 -11.086 -4.268 -10.297 1.00 0.00 C ATOM 698 OD1 ASN A 44 -10.278 -5.184 -10.434 1.00 0.00 O ATOM 699 ND2 ASN A 44 -12.337 -4.517 -9.938 1.00 0.00 N ATOM 0 H ASN A 44 -11.780 -0.204 -9.313 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.480 -2.257 -8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.422 -2.385 -11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.730 -2.791 -11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.638 -5.477 -9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.998 -3.748 -9.827 1.00 0.00 H new ATOM 706 N THR A 45 -8.749 -1.191 -7.905 1.00 0.00 N ATOM 707 CA THR A 45 -7.558 -1.323 -7.083 1.00 0.00 C ATOM 708 C THR A 45 -7.962 -1.352 -5.604 1.00 0.00 C ATOM 709 O THR A 45 -8.946 -0.708 -5.216 1.00 0.00 O ATOM 710 CB THR A 45 -6.550 -0.189 -7.379 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.016 1.130 -7.164 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.064 -0.241 -8.831 1.00 0.00 C ATOM 0 H THR A 45 -9.074 -0.228 -7.987 1.00 0.00 H new ATOM 0 HA THR A 45 -7.057 -2.260 -7.324 1.00 0.00 H new ATOM 0 HB THR A 45 -5.757 -0.385 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.944 1.102 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.357 0.569 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.574 -1.197 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.915 -0.132 -9.504 1.00 0.00 H new ATOM 720 N PRO A 46 -7.195 -2.068 -4.772 1.00 0.00 N ATOM 721 CA PRO A 46 -7.285 -1.998 -3.325 1.00 0.00 C ATOM 722 C PRO A 46 -6.691 -0.685 -2.802 1.00 0.00 C ATOM 723 O PRO A 46 -5.471 -0.552 -2.654 1.00 0.00 O ATOM 724 CB PRO A 46 -6.509 -3.214 -2.827 1.00 0.00 C ATOM 725 CG PRO A 46 -5.510 -3.508 -3.936 1.00 0.00 C ATOM 726 CD PRO A 46 -6.247 -3.091 -5.187 1.00 0.00 C ATOM 0 HA PRO A 46 -8.316 -2.010 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.005 -3.004 -1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.170 -4.063 -2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.587 -2.943 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.237 -4.563 -3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.556 -2.702 -5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.761 -3.940 -5.638 1.00 0.00 H new ATOM 734 N MET A 47 -7.542 0.285 -2.483 1.00 0.00 N ATOM 735 CA MET A 47 -7.139 1.523 -1.823 1.00 0.00 C ATOM 736 C MET A 47 -7.847 1.641 -0.475 1.00 0.00 C ATOM 737 O MET A 47 -8.823 0.939 -0.207 1.00 0.00 O ATOM 738 CB MET A 47 -7.374 2.731 -2.741 1.00 0.00 C ATOM 739 CG MET A 47 -8.809 2.804 -3.274 1.00 0.00 C ATOM 740 SD MET A 47 -9.487 4.477 -3.401 1.00 0.00 S ATOM 741 CE MET A 47 -9.696 4.780 -1.633 1.00 0.00 C ATOM 0 H MET A 47 -8.542 0.233 -2.677 1.00 0.00 H new ATOM 0 HA MET A 47 -6.068 1.504 -1.622 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.148 3.646 -2.194 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.682 2.683 -3.581 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.840 2.339 -4.259 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.454 2.214 -2.623 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.680 5.211 -1.452 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.606 3.839 -1.090 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.928 5.472 -1.289 1.00 0.00 H new ATOM 751 N PHE A 48 -7.362 2.540 0.375 1.00 0.00 N ATOM 752 CA PHE A 48 -8.004 2.871 1.637 1.00 0.00 C ATOM 753 C PHE A 48 -8.081 4.396 1.718 1.00 0.00 C ATOM 754 O PHE A 48 -7.430 5.089 0.929 1.00 0.00 O ATOM 755 CB PHE A 48 -7.264 2.277 2.859 1.00 0.00 C ATOM 756 CG PHE A 48 -6.445 1.004 2.687 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.158 1.079 2.129 1.00 0.00 C ATOM 758 CD2 PHE A 48 -6.896 -0.228 3.195 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.314 -0.042 2.098 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.070 -1.368 3.131 1.00 0.00 C ATOM 761 CZ PHE A 48 -4.777 -1.263 2.592 1.00 0.00 C ATOM 0 H PHE A 48 -6.503 3.063 0.203 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.000 2.429 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.596 3.047 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.008 2.086 3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.812 2.015 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.879 -0.300 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.315 0.039 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.430 -2.319 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.137 -2.132 2.560 1.00 0.00 H new ATOM 771 N SER A 49 -8.815 4.933 2.685 1.00 0.00 N ATOM 772 CA SER A 49 -8.988 6.369 2.842 1.00 0.00 C ATOM 773 C SER A 49 -8.991 6.730 4.317 1.00 0.00 C ATOM 774 O SER A 49 -9.633 6.028 5.090 1.00 0.00 O ATOM 775 CB SER A 49 -10.329 6.776 2.228 1.00 0.00 C ATOM 776 OG SER A 49 -10.514 6.270 0.927 1.00 0.00 O ATOM 0 H SER A 49 -9.309 4.380 3.385 1.00 0.00 H new ATOM 0 HA SER A 49 -8.170 6.890 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.138 6.423 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.395 7.864 2.202 1.00 0.00 H new ATOM 0 HG SER A 49 -10.941 6.952 0.368 1.00 0.00 H new ATOM 782 N ASN A 50 -8.347 7.822 4.742 1.00 0.00 N ATOM 783 CA ASN A 50 -8.458 8.257 6.141 1.00 0.00 C ATOM 784 C ASN A 50 -9.812 8.919 6.331 1.00 0.00 C ATOM 785 O ASN A 50 -9.988 10.084 5.979 1.00 0.00 O ATOM 786 CB ASN A 50 -7.310 9.170 6.585 1.00 0.00 C ATOM 787 CG ASN A 50 -7.507 9.591 8.042 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.081 8.840 8.817 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.035 10.749 8.466 1.00 0.00 N ATOM 0 H ASN A 50 -7.756 8.410 4.154 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.378 7.379 6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.358 8.651 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.268 10.052 5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.149 11.019 9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.557 11.373 7.817 1.00 0.00 H new ATOM 796 N GLN A 51 -10.802 8.144 6.777 1.00 0.00 N ATOM 797 CA GLN A 51 -12.211 8.518 6.843 1.00 0.00 C ATOM 798 C GLN A 51 -12.793 9.078 5.527 1.00 0.00 C ATOM 799 O GLN A 51 -13.852 9.707 5.551 1.00 0.00 O ATOM 800 CB GLN A 51 -12.441 9.494 8.001 1.00 0.00 C ATOM 801 CG GLN A 51 -11.689 9.168 9.296 1.00 0.00 C ATOM 802 CD GLN A 51 -12.319 9.952 10.433 1.00 0.00 C ATOM 803 OE1 GLN A 51 -12.171 11.167 10.536 1.00 0.00 O ATOM 804 NE2 GLN A 51 -13.096 9.282 11.255 1.00 0.00 N ATOM 0 H GLN A 51 -10.633 7.197 7.117 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.757 7.591 7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.152 10.493 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.508 9.527 8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.737 8.099 9.502 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.635 9.427 9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.202 8.273 11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.593 9.771 12.000 1.00 0.00 H new ATOM 813 N GLY A 52 -12.111 8.899 4.391 1.00 0.00 N ATOM 814 CA GLY A 52 -12.517 9.408 3.087 1.00 0.00 C ATOM 815 C GLY A 52 -11.392 10.107 2.314 1.00 0.00 C ATOM 816 O GLY A 52 -11.478 10.152 1.088 1.00 0.00 O ATOM 0 H GLY A 52 -11.234 8.379 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.897 8.581 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.341 10.108 3.222 1.00 0.00 H new ATOM 820 N THR A 53 -10.311 10.581 2.944 1.00 0.00 N ATOM 821 CA THR A 53 -9.226 11.265 2.235 1.00 0.00 C ATOM 822 C THR A 53 -8.310 10.266 1.523 1.00 0.00 C ATOM 823 O THR A 53 -7.990 9.210 2.071 1.00 0.00 O ATOM 824 CB THR A 53 -8.383 12.084 3.220 1.00 0.00 C ATOM 825 OG1 THR A 53 -9.181 12.643 4.236 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.596 13.203 2.529 1.00 0.00 C ATOM 0 H THR A 53 -10.165 10.502 3.950 1.00 0.00 H new ATOM 0 HA THR A 53 -9.683 11.921 1.494 1.00 0.00 H new ATOM 0 HB THR A 53 -7.671 11.384 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.616 13.158 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.016 13.752 3.271 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.922 12.771 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.289 13.883 2.034 1.00 0.00 H new ATOM 834 N PHE A 54 -7.852 10.634 0.327 1.00 0.00 N ATOM 835 CA PHE A 54 -7.039 9.873 -0.623 1.00 0.00 C ATOM 836 C PHE A 54 -5.593 9.532 -0.193 1.00 0.00 C ATOM 837 O PHE A 54 -4.700 9.410 -1.027 1.00 0.00 O ATOM 838 CB PHE A 54 -7.117 10.590 -1.993 1.00 0.00 C ATOM 839 CG PHE A 54 -6.698 9.757 -3.196 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.536 8.729 -3.676 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.458 9.981 -3.822 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.110 7.884 -4.713 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.038 9.148 -4.872 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.851 8.086 -5.304 1.00 0.00 C ATOM 0 H PHE A 54 -8.061 11.564 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.470 8.874 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.141 10.929 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.489 11.480 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.515 8.591 -3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.828 10.795 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.747 7.082 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.086 9.324 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.509 7.427 -6.088 1.00 0.00 H new ATOM 854 N ILE A 55 -5.333 9.378 1.104 1.00 0.00 N ATOM 855 CA ILE A 55 -3.994 9.318 1.699 1.00 0.00 C ATOM 856 C ILE A 55 -3.268 7.976 1.432 1.00 0.00 C ATOM 857 O ILE A 55 -2.147 7.810 1.905 1.00 0.00 O ATOM 858 CB ILE A 55 -4.095 9.740 3.199 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.622 11.197 3.276 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.780 9.637 3.991 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.795 11.782 4.685 1.00 0.00 C ATOM 0 H ILE A 55 -6.075 9.288 1.798 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.337 10.034 1.205 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.778 9.031 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.938 11.838 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.585 11.240 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.950 9.951 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.428 8.605 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.029 10.282 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.168 12.804 4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.506 11.175 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.834 11.783 5.199 1.00 0.00 H new ATOM 873 N ILE A 56 -3.839 6.992 0.715 1.00 0.00 N ATOM 874 CA ILE A 56 -3.163 5.727 0.417 1.00 0.00 C ATOM 875 C ILE A 56 -3.779 4.966 -0.774 1.00 0.00 C ATOM 876 O ILE A 56 -5.002 4.964 -0.942 1.00 0.00 O ATOM 877 CB ILE A 56 -3.143 4.913 1.732 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.306 3.636 1.623 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.549 4.646 2.282 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.628 3.343 2.952 1.00 0.00 C ATOM 0 H ILE A 56 -4.781 7.056 0.329 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.144 5.915 0.079 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.642 5.543 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.942 2.798 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.556 3.749 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.475 4.071 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.047 5.594 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.126 4.082 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.035 2.433 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.978 4.176 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.385 3.210 3.725 1.00 0.00 H new ATOM 892 N GLY A 57 -2.962 4.266 -1.573 1.00 0.00 N ATOM 893 CA GLY A 57 -3.436 3.389 -2.639 1.00 0.00 C ATOM 894 C GLY A 57 -2.320 2.500 -3.202 1.00 0.00 C ATOM 895 O GLY A 57 -1.222 2.984 -3.498 1.00 0.00 O ATOM 0 H GLY A 57 -1.946 4.297 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.241 2.760 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.857 3.993 -3.443 1.00 0.00 H new ATOM 899 N PHE A 58 -2.609 1.209 -3.418 1.00 0.00 N ATOM 900 CA PHE A 58 -1.728 0.251 -4.079 1.00 0.00 C ATOM 901 C PHE A 58 -2.511 -0.600 -5.073 1.00 0.00 C ATOM 902 O PHE A 58 -3.739 -0.623 -5.062 1.00 0.00 O ATOM 903 CB PHE A 58 -0.921 -0.600 -3.070 1.00 0.00 C ATOM 904 CG PHE A 58 -1.615 -1.441 -2.017 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.469 -2.498 -2.368 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.292 -1.254 -0.663 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.103 -3.267 -1.374 1.00 0.00 C ATOM 908 CE2 PHE A 58 -1.959 -1.981 0.334 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.874 -2.987 -0.017 1.00 0.00 C ATOM 0 H PHE A 58 -3.494 0.794 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.986 0.814 -4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.294 -1.275 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.252 0.081 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.641 -2.723 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.525 -0.546 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.766 -4.072 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.768 -1.766 1.375 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.397 -3.540 0.749 1.00 0.00 H new ATOM 919 N SER A 59 -1.802 -1.335 -5.927 1.00 0.00 N ATOM 920 CA SER A 59 -2.379 -2.397 -6.736 1.00 0.00 C ATOM 921 C SER A 59 -1.259 -3.340 -7.181 1.00 0.00 C ATOM 922 O SER A 59 -0.076 -2.983 -7.122 1.00 0.00 O ATOM 923 CB SER A 59 -3.185 -1.794 -7.897 1.00 0.00 C ATOM 924 OG SER A 59 -2.380 -1.122 -8.845 1.00 0.00 O ATOM 0 H SER A 59 -0.801 -1.206 -6.076 1.00 0.00 H new ATOM 0 HA SER A 59 -3.088 -2.992 -6.160 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.738 -2.589 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.921 -1.097 -7.496 1.00 0.00 H new ATOM 0 HG SER A 59 -2.947 -0.762 -9.559 1.00 0.00 H new ATOM 930 N THR A 60 -1.626 -4.558 -7.582 1.00 0.00 N ATOM 931 CA THR A 60 -0.698 -5.583 -8.030 1.00 0.00 C ATOM 932 C THR A 60 -0.239 -5.228 -9.438 1.00 0.00 C ATOM 933 O THR A 60 -1.036 -5.273 -10.386 1.00 0.00 O ATOM 934 CB THR A 60 -1.356 -6.970 -8.020 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.537 -6.986 -8.805 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.739 -7.432 -6.614 1.00 0.00 C ATOM 0 H THR A 60 -2.600 -4.860 -7.603 1.00 0.00 H new ATOM 0 HA THR A 60 0.154 -5.622 -7.351 1.00 0.00 H new ATOM 0 HB THR A 60 -0.606 -7.646 -8.432 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.404 -6.439 -9.607 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.200 -8.418 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.846 -7.482 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.445 -6.725 -6.178 1.00 0.00 H new ATOM 944 N SER A 61 1.033 -4.917 -9.597 1.00 0.00 N ATOM 945 CA SER A 61 1.684 -4.877 -10.890 1.00 0.00 C ATOM 946 C SER A 61 1.905 -6.322 -11.366 1.00 0.00 C ATOM 947 O SER A 61 1.711 -7.292 -10.617 1.00 0.00 O ATOM 948 CB SER A 61 3.007 -4.109 -10.768 1.00 0.00 C ATOM 949 OG SER A 61 2.950 -3.068 -9.803 1.00 0.00 O ATOM 0 H SER A 61 1.651 -4.682 -8.820 1.00 0.00 H new ATOM 0 HA SER A 61 1.067 -4.359 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.802 -4.804 -10.500 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.267 -3.686 -11.738 1.00 0.00 H new ATOM 0 HG SER A 61 3.430 -2.283 -10.140 1.00 0.00 H new ATOM 955 N LYS A 62 2.340 -6.488 -12.616 1.00 0.00 N ATOM 956 CA LYS A 62 2.490 -7.804 -13.225 1.00 0.00 C ATOM 957 C LYS A 62 3.549 -8.646 -12.503 1.00 0.00 C ATOM 958 O LYS A 62 3.363 -9.857 -12.392 1.00 0.00 O ATOM 959 CB LYS A 62 2.739 -7.633 -14.738 1.00 0.00 C ATOM 960 CG LYS A 62 2.596 -8.958 -15.504 1.00 0.00 C ATOM 961 CD LYS A 62 1.866 -8.843 -16.848 1.00 0.00 C ATOM 962 CE LYS A 62 2.686 -8.191 -17.971 1.00 0.00 C ATOM 963 NZ LYS A 62 1.901 -8.149 -19.222 1.00 0.00 N ATOM 0 H LYS A 62 2.597 -5.715 -13.230 1.00 0.00 H new ATOM 0 HA LYS A 62 1.569 -8.375 -13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.035 -6.905 -15.140 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.739 -7.230 -14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.590 -9.370 -15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.062 -9.670 -14.875 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.565 -9.840 -17.169 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.953 -8.266 -16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.974 -7.181 -17.680 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.607 -8.752 -18.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.468 -7.706 -19.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.648 -9.117 -19.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.034 -7.595 -19.070 1.00 0.00 H new ATOM 977 N HIS A 63 4.600 -8.014 -11.960 1.00 0.00 N ATOM 978 CA HIS A 63 5.729 -8.668 -11.281 1.00 0.00 C ATOM 979 C HIS A 63 6.156 -7.949 -9.985 1.00 0.00 C ATOM 980 O HIS A 63 7.240 -8.212 -9.453 1.00 0.00 O ATOM 981 CB HIS A 63 6.913 -8.774 -12.258 1.00 0.00 C ATOM 982 CG HIS A 63 6.627 -9.644 -13.453 1.00 0.00 C ATOM 983 ND1 HIS A 63 6.763 -11.011 -13.502 1.00 0.00 N ATOM 984 CD2 HIS A 63 6.196 -9.222 -14.679 1.00 0.00 C ATOM 985 CE1 HIS A 63 6.412 -11.412 -14.734 1.00 0.00 C ATOM 986 NE2 HIS A 63 6.062 -10.352 -15.494 1.00 0.00 N ATOM 0 H HIS A 63 4.691 -6.998 -11.982 1.00 0.00 H new ATOM 0 HA HIS A 63 5.400 -9.662 -10.978 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.182 -7.775 -12.601 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.778 -9.172 -11.727 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.995 -8.201 -14.967 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.410 -12.438 -15.070 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.760 -10.371 -16.468 1.00 0.00 H new ATOM 994 N HIS A 64 5.372 -6.986 -9.499 1.00 0.00 N ATOM 995 CA HIS A 64 5.668 -6.179 -8.318 1.00 0.00 C ATOM 996 C HIS A 64 4.352 -5.629 -7.751 1.00 0.00 C ATOM 997 O HIS A 64 3.284 -5.932 -8.282 1.00 0.00 O ATOM 998 CB HIS A 64 6.694 -5.070 -8.657 1.00 0.00 C ATOM 999 CG HIS A 64 6.622 -4.426 -10.012 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.302 -4.840 -11.141 1.00 0.00 N ATOM 1001 CD2 HIS A 64 6.027 -3.226 -10.288 1.00 0.00 C ATOM 1002 CE1 HIS A 64 7.058 -3.931 -12.105 1.00 0.00 C ATOM 1003 NE2 HIS A 64 6.306 -2.931 -11.622 1.00 0.00 N ATOM 0 H HIS A 64 4.483 -6.739 -9.933 1.00 0.00 H new ATOM 0 HA HIS A 64 6.134 -6.791 -7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.593 -4.284 -7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.692 -5.493 -8.542 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.451 -2.622 -9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.417 -3.998 -13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.995 -2.106 -12.136 1.00 0.00 H new ATOM 1011 N LEU A 65 4.415 -4.818 -6.695 1.00 0.00 N ATOM 1012 CA LEU A 65 3.287 -4.098 -6.108 1.00 0.00 C ATOM 1013 C LEU A 65 3.643 -2.614 -6.090 1.00 0.00 C ATOM 1014 O LEU A 65 4.655 -2.259 -5.488 1.00 0.00 O ATOM 1015 CB LEU A 65 3.064 -4.612 -4.678 1.00 0.00 C ATOM 1016 CG LEU A 65 1.907 -3.897 -3.950 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.556 -4.559 -4.234 1.00 0.00 C ATOM 1018 CD2 LEU A 65 2.172 -3.920 -2.450 1.00 0.00 C ATOM 0 H LEU A 65 5.291 -4.638 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 65 2.374 -4.252 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.858 -5.682 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.982 -4.482 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 65 1.860 -2.872 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.230 -4.024 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.354 -4.530 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.581 -5.596 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.358 -3.416 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.238 -4.953 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.110 -3.407 -2.238 1.00 0.00 H new ATOM 1030 N SER A 66 2.852 -1.756 -6.733 1.00 0.00 N ATOM 1031 CA SER A 66 2.964 -0.298 -6.641 1.00 0.00 C ATOM 1032 C SER A 66 2.324 0.178 -5.344 1.00 0.00 C ATOM 1033 O SER A 66 1.183 -0.219 -5.124 1.00 0.00 O ATOM 1034 CB SER A 66 2.189 0.378 -7.783 1.00 0.00 C ATOM 1035 OG SER A 66 1.116 -0.412 -8.288 1.00 0.00 O ATOM 0 H SER A 66 2.097 -2.061 -7.347 1.00 0.00 H new ATOM 0 HA SER A 66 4.022 -0.042 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.793 1.330 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.879 0.602 -8.597 1.00 0.00 H new ATOM 0 HG SER A 66 0.604 -0.785 -7.540 1.00 0.00 H new ATOM 1041 N VAL A 67 2.960 1.060 -4.566 1.00 0.00 N ATOM 1042 CA VAL A 67 2.362 1.695 -3.389 1.00 0.00 C ATOM 1043 C VAL A 67 2.777 3.179 -3.304 1.00 0.00 C ATOM 1044 O VAL A 67 3.905 3.520 -3.673 1.00 0.00 O ATOM 1045 CB VAL A 67 2.841 0.956 -2.122 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.152 1.510 -0.876 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.670 -0.570 -2.148 1.00 0.00 C ATOM 0 H VAL A 67 3.920 1.357 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 67 1.276 1.641 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 67 3.914 1.143 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.506 0.973 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.384 2.570 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.074 1.383 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.036 -0.993 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.615 -0.816 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.237 -0.986 -2.981 1.00 0.00 H new ATOM 1057 N SER A 68 1.924 4.050 -2.745 1.00 0.00 N ATOM 1058 CA SER A 68 2.312 5.339 -2.166 1.00 0.00 C ATOM 1059 C SER A 68 1.197 5.816 -1.212 1.00 0.00 C ATOM 1060 O SER A 68 0.075 5.311 -1.332 1.00 0.00 O ATOM 1061 CB SER A 68 2.570 6.338 -3.310 1.00 0.00 C ATOM 1062 OG SER A 68 3.176 7.542 -2.878 1.00 0.00 O ATOM 0 H SER A 68 0.922 3.871 -2.683 1.00 0.00 H new ATOM 0 HA SER A 68 3.230 5.252 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.208 5.866 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.624 6.571 -3.799 1.00 0.00 H new ATOM 0 HG SER A 68 2.646 8.305 -3.189 1.00 0.00 H new ATOM 1068 N PRO A 69 1.458 6.725 -0.243 1.00 0.00 N ATOM 1069 CA PRO A 69 0.382 7.401 0.454 1.00 0.00 C ATOM 1070 C PRO A 69 -0.172 8.551 -0.398 1.00 0.00 C ATOM 1071 O PRO A 69 -1.314 8.465 -0.835 1.00 0.00 O ATOM 1072 CB PRO A 69 0.962 7.871 1.788 1.00 0.00 C ATOM 1073 CG PRO A 69 2.448 8.059 1.490 1.00 0.00 C ATOM 1074 CD PRO A 69 2.727 7.012 0.405 1.00 0.00 C ATOM 0 HA PRO A 69 -0.467 6.742 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.500 8.800 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.801 7.135 2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.663 9.068 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.060 7.892 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.452 7.388 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.151 6.108 0.841 1.00 0.00 H new ATOM 1082 N GLU A 70 0.658 9.515 -0.813 1.00 0.00 N ATOM 1083 CA GLU A 70 0.307 10.447 -1.880 1.00 0.00 C ATOM 1084 C GLU A 70 1.543 10.618 -2.768 1.00 0.00 C ATOM 1085 O GLU A 70 1.803 9.764 -3.617 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.152 11.800 -1.275 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.472 11.771 -0.488 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.825 13.171 0.037 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.351 13.574 1.126 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.617 13.901 -0.600 1.00 0.00 O ATOM 0 H GLU A 70 1.586 9.667 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.522 10.066 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.634 12.166 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.250 12.523 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.274 11.405 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.388 11.075 0.347 1.00 0.00 H new ATOM 1097 N GLU A 71 2.427 11.571 -2.445 1.00 0.00 N ATOM 1098 CA GLU A 71 3.446 12.074 -3.383 1.00 0.00 C ATOM 1099 C GLU A 71 4.717 12.476 -2.670 1.00 0.00 C ATOM 1100 O GLU A 71 5.824 12.242 -3.149 1.00 0.00 O ATOM 1101 CB GLU A 71 2.926 13.315 -4.141 1.00 0.00 C ATOM 1102 CG GLU A 71 1.779 12.921 -5.069 1.00 0.00 C ATOM 1103 CD GLU A 71 1.906 13.501 -6.481 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.742 12.986 -7.269 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.135 14.430 -6.833 1.00 0.00 O ATOM 0 H GLU A 71 2.458 12.016 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 71 3.656 11.258 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.587 14.069 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.734 13.763 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.733 11.834 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.838 13.254 -4.632 1.00 0.00 H new ATOM 1112 N ILE A 72 4.562 13.033 -1.473 1.00 0.00 N ATOM 1113 CA ILE A 72 5.648 13.202 -0.517 1.00 0.00 C ATOM 1114 C ILE A 72 6.321 11.860 -0.233 1.00 0.00 C ATOM 1115 O ILE A 72 7.519 11.815 0.050 1.00 0.00 O ATOM 1116 CB ILE A 72 5.077 13.868 0.745 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.176 14.571 1.573 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.128 12.954 1.544 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.293 14.167 3.040 1.00 0.00 C ATOM 0 H ILE A 72 3.666 13.384 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 72 6.427 13.848 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 72 4.419 14.673 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.136 14.385 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.000 15.646 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.762 13.487 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.285 12.667 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.665 12.060 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.099 14.731 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.355 14.381 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.509 13.101 3.108 1.00 0.00 H new ATOM 1131 N GLY A 73 5.577 10.764 -0.422 1.00 0.00 N ATOM 1132 CA GLY A 73 6.087 9.410 -0.300 1.00 0.00 C ATOM 1133 C GLY A 73 7.356 9.209 -1.136 1.00 0.00 C ATOM 1134 O GLY A 73 8.291 8.544 -0.696 1.00 0.00 O ATOM 0 H GLY A 73 4.588 10.803 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.302 9.194 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.323 8.702 -0.621 1.00 0.00 H new ATOM 1138 N ILE A 74 7.427 9.847 -2.309 1.00 0.00 N ATOM 1139 CA ILE A 74 8.481 9.668 -3.306 1.00 0.00 C ATOM 1140 C ILE A 74 9.362 10.916 -3.397 1.00 0.00 C ATOM 1141 O ILE A 74 10.132 11.044 -4.352 1.00 0.00 O ATOM 1142 CB ILE A 74 7.867 9.351 -4.683 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.619 8.441 -4.633 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.884 8.683 -5.639 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.920 7.047 -4.070 1.00 0.00 C ATOM 0 H ILE A 74 6.724 10.527 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 74 9.104 8.829 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 74 7.568 10.331 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.853 8.917 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.208 8.341 -5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.404 8.479 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.732 9.351 -5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.234 7.748 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.006 6.454 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.665 6.555 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.304 7.140 -3.054 1.00 0.00 H new ATOM 1157 N SER A 75 9.273 11.844 -2.443 1.00 0.00 N ATOM 1158 CA SER A 75 10.242 12.934 -2.382 1.00 0.00 C ATOM 1159 C SER A 75 10.894 13.162 -1.018 1.00 0.00 C ATOM 1160 O SER A 75 12.073 13.517 -0.965 1.00 0.00 O ATOM 1161 CB SER A 75 9.627 14.218 -2.923 1.00 0.00 C ATOM 1162 OG SER A 75 9.402 14.083 -4.312 1.00 0.00 O ATOM 0 H SER A 75 8.556 11.863 -1.718 1.00 0.00 H new ATOM 0 HA SER A 75 11.068 12.618 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.688 14.429 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.291 15.061 -2.731 1.00 0.00 H new ATOM 0 HG SER A 75 9.005 14.908 -4.661 1.00 0.00 H new ATOM 1168 N GLN A 76 10.175 12.932 0.077 1.00 0.00 N ATOM 1169 CA GLN A 76 10.676 13.033 1.436 1.00 0.00 C ATOM 1170 C GLN A 76 11.358 11.694 1.711 1.00 0.00 C ATOM 1171 O GLN A 76 12.584 11.634 1.816 1.00 0.00 O ATOM 1172 CB GLN A 76 9.475 13.414 2.328 1.00 0.00 C ATOM 1173 CG GLN A 76 9.470 13.067 3.821 1.00 0.00 C ATOM 1174 CD GLN A 76 9.283 14.243 4.786 1.00 0.00 C ATOM 1175 OE1 GLN A 76 8.380 14.252 5.619 1.00 0.00 O ATOM 1176 NE2 GLN A 76 10.087 15.288 4.718 1.00 0.00 N ATOM 0 H GLN A 76 9.193 12.661 0.036 1.00 0.00 H new ATOM 0 HA GLN A 76 11.422 13.804 1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.346 14.493 2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.590 12.954 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.674 12.344 4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.411 12.572 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.844 15.305 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.951 16.078 5.348 1.00 0.00 H new ATOM 1185 N PHE A 77 10.592 10.602 1.703 1.00 0.00 N ATOM 1186 CA PHE A 77 11.066 9.262 2.049 1.00 0.00 C ATOM 1187 C PHE A 77 11.828 8.556 0.915 1.00 0.00 C ATOM 1188 O PHE A 77 12.256 7.412 1.080 1.00 0.00 O ATOM 1189 CB PHE A 77 9.910 8.405 2.536 1.00 0.00 C ATOM 1190 CG PHE A 77 8.982 9.118 3.500 1.00 0.00 C ATOM 1191 CD1 PHE A 77 7.895 9.819 2.963 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.173 9.086 4.896 1.00 0.00 C ATOM 1193 CE1 PHE A 77 6.970 10.438 3.803 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.220 9.670 5.751 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.131 10.359 5.191 1.00 0.00 C ATOM 0 H PHE A 77 9.604 10.625 1.450 1.00 0.00 H new ATOM 0 HA PHE A 77 11.791 9.394 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.334 8.066 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.310 7.515 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.772 9.881 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 77 10.051 8.613 5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.133 10.976 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.324 9.590 6.823 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.409 10.833 5.840 1.00 0.00 H new ATOM 1205 N ALA A 78 11.991 9.210 -0.242 1.00 0.00 N ATOM 1206 CA ALA A 78 12.601 8.610 -1.426 1.00 0.00 C ATOM 1207 C ALA A 78 14.007 8.071 -1.165 1.00 0.00 C ATOM 1208 O ALA A 78 14.416 7.105 -1.808 1.00 0.00 O ATOM 1209 CB ALA A 78 12.683 9.653 -2.535 1.00 0.00 C ATOM 0 H ALA A 78 11.700 10.178 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 78 11.970 7.769 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.138 9.208 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.680 10.004 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.290 10.494 -2.199 1.00 0.00 H new ATOM 1215 N ASP A 79 14.744 8.701 -0.254 1.00 0.00 N ATOM 1216 CA ASP A 79 16.120 8.339 0.059 1.00 0.00 C ATOM 1217 C ASP A 79 16.145 7.024 0.827 1.00 0.00 C ATOM 1218 O ASP A 79 16.851 6.081 0.473 1.00 0.00 O ATOM 1219 CB ASP A 79 16.758 9.458 0.887 1.00 0.00 C ATOM 1220 CG ASP A 79 18.272 9.495 0.762 1.00 0.00 C ATOM 1221 OD1 ASP A 79 18.903 8.512 0.323 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.843 10.556 1.097 1.00 0.00 O ATOM 0 H ASP A 79 14.396 9.488 0.294 1.00 0.00 H new ATOM 0 HA ASP A 79 16.688 8.210 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.349 10.417 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.488 9.327 1.935 1.00 0.00 H new ATOM 1227 N ALA A 80 15.303 6.937 1.859 1.00 0.00 N ATOM 1228 CA ALA A 80 15.125 5.729 2.639 1.00 0.00 C ATOM 1229 C ALA A 80 14.655 4.570 1.750 1.00 0.00 C ATOM 1230 O ALA A 80 15.179 3.462 1.876 1.00 0.00 O ATOM 1231 CB ALA A 80 14.155 6.020 3.785 1.00 0.00 C ATOM 0 H ALA A 80 14.724 7.716 2.173 1.00 0.00 H new ATOM 0 HA ALA A 80 16.077 5.416 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.013 5.118 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.563 6.810 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.196 6.341 3.378 1.00 0.00 H new ATOM 1237 N ILE A 81 13.708 4.821 0.832 1.00 0.00 N ATOM 1238 CA ILE A 81 13.246 3.845 -0.160 1.00 0.00 C ATOM 1239 C ILE A 81 14.430 3.379 -1.020 1.00 0.00 C ATOM 1240 O ILE A 81 14.588 2.173 -1.244 1.00 0.00 O ATOM 1241 CB ILE A 81 12.110 4.447 -1.032 1.00 0.00 C ATOM 1242 CG1 ILE A 81 10.803 4.649 -0.233 1.00 0.00 C ATOM 1243 CG2 ILE A 81 11.811 3.561 -2.261 1.00 0.00 C ATOM 1244 CD1 ILE A 81 9.857 5.653 -0.909 1.00 0.00 C ATOM 0 H ILE A 81 13.236 5.723 0.760 1.00 0.00 H new ATOM 0 HA ILE A 81 12.835 2.977 0.355 1.00 0.00 H new ATOM 0 HB ILE A 81 12.471 5.421 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.295 3.691 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.044 4.999 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.011 4.012 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.708 3.475 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.502 2.570 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.953 5.761 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.353 6.620 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.593 5.292 -1.903 1.00 0.00 H new ATOM 1256 N ALA A 82 15.229 4.322 -1.534 1.00 0.00 N ATOM 1257 CA ALA A 82 16.337 4.033 -2.430 1.00 0.00 C ATOM 1258 C ALA A 82 17.325 3.099 -1.741 1.00 0.00 C ATOM 1259 O ALA A 82 17.669 2.065 -2.313 1.00 0.00 O ATOM 1260 CB ALA A 82 17.034 5.320 -2.887 1.00 0.00 C ATOM 0 H ALA A 82 15.117 5.316 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 82 15.943 3.542 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.858 5.070 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.320 5.954 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.421 5.852 -2.018 1.00 0.00 H new ATOM 1266 N GLN A 83 17.743 3.468 -0.530 1.00 0.00 N ATOM 1267 CA GLN A 83 18.709 2.738 0.273 1.00 0.00 C ATOM 1268 C GLN A 83 18.177 1.362 0.684 1.00 0.00 C ATOM 1269 O GLN A 83 18.950 0.403 0.679 1.00 0.00 O ATOM 1270 CB GLN A 83 19.085 3.585 1.488 1.00 0.00 C ATOM 1271 CG GLN A 83 19.965 4.790 1.126 1.00 0.00 C ATOM 1272 CD GLN A 83 20.268 5.624 2.368 1.00 0.00 C ATOM 1273 OE1 GLN A 83 20.767 5.122 3.370 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.955 6.904 2.351 1.00 0.00 N ATOM 0 H GLN A 83 17.403 4.313 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 83 19.603 2.553 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.176 3.938 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.611 2.961 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.896 4.446 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.460 5.406 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.540 7.317 1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.127 7.482 3.173 1.00 0.00 H new ATOM 1283 N ALA A 84 16.879 1.236 1.004 1.00 0.00 N ATOM 1284 CA ALA A 84 16.274 -0.058 1.323 1.00 0.00 C ATOM 1285 C ALA A 84 16.324 -1.020 0.124 1.00 0.00 C ATOM 1286 O ALA A 84 16.291 -2.238 0.304 1.00 0.00 O ATOM 1287 CB ALA A 84 14.829 0.125 1.805 1.00 0.00 C ATOM 0 H ALA A 84 16.230 2.021 1.047 1.00 0.00 H new ATOM 0 HA ALA A 84 16.858 -0.503 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.397 -0.848 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.820 0.749 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.242 0.605 1.022 1.00 0.00 H new ATOM 1293 N GLY A 85 16.437 -0.477 -1.092 1.00 0.00 N ATOM 1294 CA GLY A 85 16.767 -1.224 -2.294 1.00 0.00 C ATOM 1295 C GLY A 85 15.672 -1.215 -3.352 1.00 0.00 C ATOM 1296 O GLY A 85 15.781 -1.973 -4.319 1.00 0.00 O ATOM 0 H GLY A 85 16.297 0.519 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.679 -0.811 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.983 -2.256 -2.019 1.00 0.00 H new ATOM 1300 N TYR A 86 14.618 -0.402 -3.203 1.00 0.00 N ATOM 1301 CA TYR A 86 13.380 -0.601 -3.951 1.00 0.00 C ATOM 1302 C TYR A 86 13.099 0.510 -4.956 1.00 0.00 C ATOM 1303 O TYR A 86 12.513 1.546 -4.643 1.00 0.00 O ATOM 1304 CB TYR A 86 12.225 -0.931 -3.000 1.00 0.00 C ATOM 1305 CG TYR A 86 12.388 -2.270 -2.288 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.815 -3.417 -2.995 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.118 -2.376 -0.909 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.008 -4.637 -2.331 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.258 -3.612 -0.253 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.715 -4.747 -0.957 1.00 0.00 C ATOM 1311 OH TYR A 86 12.811 -5.956 -0.346 1.00 0.00 O ATOM 0 H TYR A 86 14.603 0.398 -2.570 1.00 0.00 H new ATOM 0 HA TYR A 86 13.502 -1.476 -4.589 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.141 -0.140 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.292 -0.939 -3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.995 -3.353 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 86 11.802 -1.505 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.382 -5.493 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.014 -3.693 0.796 1.00 0.00 H new ATOM 0 HH TYR A 86 12.187 -5.991 0.409 1.00 0.00 H new ATOM 1321 N SER A 87 13.507 0.226 -6.193 1.00 0.00 N ATOM 1322 CA SER A 87 13.313 0.979 -7.421 1.00 0.00 C ATOM 1323 C SER A 87 11.873 1.509 -7.593 1.00 0.00 C ATOM 1324 O SER A 87 10.959 0.753 -7.938 1.00 0.00 O ATOM 1325 CB SER A 87 13.697 0.027 -8.566 1.00 0.00 C ATOM 1326 OG SER A 87 15.042 0.174 -8.977 1.00 0.00 O ATOM 0 H SER A 87 14.036 -0.627 -6.372 1.00 0.00 H new ATOM 0 HA SER A 87 13.933 1.875 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.530 -1.002 -8.247 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.041 0.207 -9.417 1.00 0.00 H new ATOM 0 HG SER A 87 15.232 -0.455 -9.704 1.00 0.00 H new ATOM 1332 N ALA A 88 11.680 2.817 -7.393 1.00 0.00 N ATOM 1333 CA ALA A 88 10.417 3.548 -7.531 1.00 0.00 C ATOM 1334 C ALA A 88 10.202 4.105 -8.950 1.00 0.00 C ATOM 1335 O ALA A 88 11.084 3.979 -9.809 1.00 0.00 O ATOM 1336 CB ALA A 88 10.424 4.688 -6.501 1.00 0.00 C ATOM 0 H ALA A 88 12.447 3.429 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 88 9.591 2.860 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.495 5.253 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.514 4.271 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.268 5.349 -6.696 1.00 0.00 H new ATOM 1342 N THR A 89 9.043 4.717 -9.211 1.00 0.00 N ATOM 1343 CA THR A 89 8.829 5.699 -10.281 1.00 0.00 C ATOM 1344 C THR A 89 9.010 7.101 -9.670 1.00 0.00 C ATOM 1345 O THR A 89 9.553 7.203 -8.568 1.00 0.00 O ATOM 1346 CB THR A 89 7.451 5.498 -10.946 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.400 5.852 -10.076 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.222 4.059 -11.419 1.00 0.00 C ATOM 0 H THR A 89 8.200 4.537 -8.666 1.00 0.00 H new ATOM 0 HA THR A 89 9.556 5.571 -11.083 1.00 0.00 H new ATOM 0 HB THR A 89 7.454 6.155 -11.816 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.541 5.715 -10.528 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.237 3.979 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.985 3.790 -12.149 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.281 3.382 -10.567 1.00 0.00 H new ATOM 1356 N LYS A 90 8.580 8.187 -10.334 1.00 0.00 N ATOM 1357 CA LYS A 90 8.486 9.477 -9.642 1.00 0.00 C ATOM 1358 C LYS A 90 7.261 9.565 -8.724 1.00 0.00 C ATOM 1359 O LYS A 90 7.275 10.431 -7.856 1.00 0.00 O ATOM 1360 CB LYS A 90 8.472 10.668 -10.625 1.00 0.00 C ATOM 1361 CG LYS A 90 9.832 11.389 -10.714 1.00 0.00 C ATOM 1362 CD LYS A 90 9.630 12.859 -11.114 1.00 0.00 C ATOM 1363 CE LYS A 90 10.949 13.635 -11.204 1.00 0.00 C ATOM 1364 NZ LYS A 90 10.728 15.034 -11.640 1.00 0.00 N ATOM 0 H LYS A 90 8.301 8.198 -11.315 1.00 0.00 H new ATOM 0 HA LYS A 90 9.384 9.538 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.190 10.311 -11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.708 11.381 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.345 11.333 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.469 10.890 -11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.121 12.902 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.978 13.343 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.443 13.629 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.619 13.136 -11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.641 15.530 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.279 15.038 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.109 15.516 -10.958 1.00 0.00 H new ATOM 1378 N GLY A 91 6.227 8.732 -8.893 1.00 0.00 N ATOM 1379 CA GLY A 91 4.895 8.971 -8.318 1.00 0.00 C ATOM 1380 C GLY A 91 4.331 7.818 -7.493 1.00 0.00 C ATOM 1381 O GLY A 91 3.291 7.969 -6.852 1.00 0.00 O ATOM 0 H GLY A 91 6.290 7.870 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.942 9.859 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.200 9.191 -9.129 1.00 0.00 H new ATOM 1385 N LEU A 92 4.990 6.660 -7.490 1.00 0.00 N ATOM 1386 CA LEU A 92 4.780 5.589 -6.527 1.00 0.00 C ATOM 1387 C LEU A 92 6.094 4.827 -6.393 1.00 0.00 C ATOM 1388 O LEU A 92 6.961 4.931 -7.265 1.00 0.00 O ATOM 1389 CB LEU A 92 3.590 4.677 -6.905 1.00 0.00 C ATOM 1390 CG LEU A 92 3.513 4.179 -8.359 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.440 2.985 -8.603 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.047 3.865 -8.699 1.00 0.00 C ATOM 0 H LEU A 92 5.707 6.438 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 92 4.501 6.007 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.613 3.805 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.669 5.217 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 92 3.867 4.963 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.355 2.665 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.470 3.276 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.156 2.163 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.980 3.511 -9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.674 3.094 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.446 4.767 -8.586 1.00 0.00 H new ATOM 1404 N PHE A 93 6.263 4.056 -5.319 1.00 0.00 N ATOM 1405 CA PHE A 93 7.356 3.085 -5.266 1.00 0.00 C ATOM 1406 C PHE A 93 6.796 1.714 -5.607 1.00 0.00 C ATOM 1407 O PHE A 93 5.580 1.518 -5.603 1.00 0.00 O ATOM 1408 CB PHE A 93 8.140 3.128 -3.944 1.00 0.00 C ATOM 1409 CG PHE A 93 7.365 2.757 -2.698 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.101 1.409 -2.383 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.910 3.771 -1.840 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.346 1.092 -1.241 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.142 3.453 -0.709 1.00 0.00 C ATOM 1414 CZ PHE A 93 5.849 2.112 -0.415 1.00 0.00 C ATOM 0 H PHE A 93 5.670 4.082 -4.489 1.00 0.00 H new ATOM 0 HA PHE A 93 8.108 3.346 -6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.994 2.456 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.538 4.134 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.478 0.621 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.152 4.802 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.147 0.059 -0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.777 4.240 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.243 1.866 0.444 1.00 0.00 H new ATOM 1424 N ARG A 94 7.663 0.743 -5.898 1.00 0.00 N ATOM 1425 CA ARG A 94 7.238 -0.641 -6.021 1.00 0.00 C ATOM 1426 C ARG A 94 8.293 -1.553 -5.425 1.00 0.00 C ATOM 1427 O ARG A 94 9.469 -1.190 -5.434 1.00 0.00 O ATOM 1428 CB ARG A 94 6.845 -0.978 -7.474 1.00 0.00 C ATOM 1429 CG ARG A 94 7.935 -0.898 -8.555 1.00 0.00 C ATOM 1430 CD ARG A 94 8.931 -2.069 -8.508 1.00 0.00 C ATOM 1431 NE ARG A 94 9.325 -2.518 -9.857 1.00 0.00 N ATOM 1432 CZ ARG A 94 10.316 -2.011 -10.600 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.979 -0.938 -10.195 1.00 0.00 N ATOM 1434 NH2 ARG A 94 10.657 -2.558 -11.758 1.00 0.00 N ATOM 0 H ARG A 94 8.660 0.895 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 94 6.328 -0.806 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.439 -1.990 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.037 -0.307 -7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.461 -0.873 -9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.481 0.038 -8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.819 -1.767 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.485 -2.902 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 94 8.792 -3.288 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.736 -0.492 -9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.733 -0.558 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.161 -3.382 -12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.415 -2.155 -12.309 1.00 0.00 H new ATOM 1448 N ILE A 95 7.884 -2.727 -4.955 1.00 0.00 N ATOM 1449 CA ILE A 95 8.787 -3.788 -4.505 1.00 0.00 C ATOM 1450 C ILE A 95 8.507 -4.997 -5.412 1.00 0.00 C ATOM 1451 O ILE A 95 7.345 -5.206 -5.777 1.00 0.00 O ATOM 1452 CB ILE A 95 8.520 -4.086 -3.006 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.822 -2.852 -2.120 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.324 -5.261 -2.431 1.00 0.00 C ATOM 1455 CD1 ILE A 95 7.556 -2.312 -1.470 1.00 0.00 C ATOM 0 H ILE A 95 6.898 -2.975 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 95 9.839 -3.513 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 95 7.463 -4.351 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.542 -3.124 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.283 -2.072 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.072 -5.394 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.082 -6.171 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.390 -5.053 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.803 -1.447 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.847 -2.017 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.110 -3.085 -0.845 1.00 0.00 H new ATOM 1467 N PRO A 96 9.520 -5.797 -5.788 1.00 0.00 N ATOM 1468 CA PRO A 96 9.332 -7.041 -6.536 1.00 0.00 C ATOM 1469 C PRO A 96 8.710 -8.111 -5.642 1.00 0.00 C ATOM 1470 O PRO A 96 8.980 -8.142 -4.444 1.00 0.00 O ATOM 1471 CB PRO A 96 10.736 -7.445 -6.990 1.00 0.00 C ATOM 1472 CG PRO A 96 11.624 -6.874 -5.889 1.00 0.00 C ATOM 1473 CD PRO A 96 10.936 -5.563 -5.544 1.00 0.00 C ATOM 0 HA PRO A 96 8.656 -6.919 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.839 -8.527 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.982 -7.026 -7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.679 -7.540 -5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.645 -6.715 -6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.116 -5.286 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.312 -4.747 -6.161 1.00 0.00 H new ATOM 1481 N TRP A 97 7.923 -9.026 -6.215 1.00 0.00 N ATOM 1482 CA TRP A 97 7.211 -10.022 -5.412 1.00 0.00 C ATOM 1483 C TRP A 97 8.133 -10.886 -4.549 1.00 0.00 C ATOM 1484 O TRP A 97 7.837 -11.114 -3.379 1.00 0.00 O ATOM 1485 CB TRP A 97 6.329 -10.890 -6.308 1.00 0.00 C ATOM 1486 CG TRP A 97 5.129 -10.188 -6.859 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.722 -10.192 -8.148 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.106 -9.469 -6.114 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.537 -9.482 -8.261 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.117 -9.011 -7.033 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.877 -9.225 -4.743 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 1.982 -8.309 -6.610 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.734 -8.539 -4.307 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.795 -8.072 -5.237 1.00 0.00 C ATOM 0 H TRP A 97 7.764 -9.097 -7.220 1.00 0.00 H new ATOM 0 HA TRP A 97 6.585 -9.468 -4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.930 -11.263 -7.138 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.997 -11.759 -5.739 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.240 -10.674 -8.964 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.040 -9.327 -9.138 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.596 -9.573 -4.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.259 -7.954 -7.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.577 -8.370 -3.252 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.925 -7.529 -4.898 1.00 0.00 H new ATOM 1505 N ASN A 98 9.271 -11.303 -5.111 1.00 0.00 N ATOM 1506 CA ASN A 98 10.258 -12.140 -4.434 1.00 0.00 C ATOM 1507 C ASN A 98 10.708 -11.539 -3.103 1.00 0.00 C ATOM 1508 O ASN A 98 10.908 -12.277 -2.142 1.00 0.00 O ATOM 1509 CB ASN A 98 11.486 -12.304 -5.346 1.00 0.00 C ATOM 1510 CG ASN A 98 12.649 -13.032 -4.670 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.840 -14.227 -4.867 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.497 -12.319 -3.942 1.00 0.00 N ATOM 0 H ASN A 98 9.534 -11.062 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 98 9.791 -13.103 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.194 -12.853 -6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.822 -11.320 -5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.321 -12.764 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.325 -11.326 -3.786 1.00 0.00 H new ATOM 1519 N ASP A 99 10.975 -10.233 -3.080 1.00 0.00 N ATOM 1520 CA ASP A 99 11.794 -9.580 -2.058 1.00 0.00 C ATOM 1521 C ASP A 99 10.852 -8.921 -1.040 1.00 0.00 C ATOM 1522 O ASP A 99 9.740 -8.528 -1.412 1.00 0.00 O ATOM 1523 CB ASP A 99 12.737 -8.580 -2.764 1.00 0.00 C ATOM 1524 CG ASP A 99 14.188 -8.588 -2.280 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.694 -9.677 -1.922 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.867 -7.549 -2.431 1.00 0.00 O ATOM 0 H ASP A 99 10.621 -9.586 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 99 12.421 -10.282 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.728 -8.792 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.335 -7.575 -2.635 1.00 0.00 H new ATOM 1531 N PRO A 100 11.203 -8.846 0.251 1.00 0.00 N ATOM 1532 CA PRO A 100 10.221 -8.558 1.285 1.00 0.00 C ATOM 1533 C PRO A 100 9.814 -7.087 1.295 1.00 0.00 C ATOM 1534 O PRO A 100 10.632 -6.167 1.193 1.00 0.00 O ATOM 1535 CB PRO A 100 10.868 -8.970 2.600 1.00 0.00 C ATOM 1536 CG PRO A 100 12.349 -8.763 2.312 1.00 0.00 C ATOM 1537 CD PRO A 100 12.478 -9.191 0.849 1.00 0.00 C ATOM 0 HA PRO A 100 9.296 -9.107 1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.526 -8.355 3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.644 -10.006 2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.647 -7.725 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.976 -9.369 2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.300 -8.672 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.679 -10.259 0.765 1.00 0.00 H new ATOM 1545 N VAL A 101 8.520 -6.880 1.486 1.00 0.00 N ATOM 1546 CA VAL A 101 7.901 -5.568 1.619 1.00 0.00 C ATOM 1547 C VAL A 101 8.327 -4.937 2.957 1.00 0.00 C ATOM 1548 O VAL A 101 8.609 -5.639 3.929 1.00 0.00 O ATOM 1549 CB VAL A 101 6.375 -5.692 1.399 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.743 -6.841 2.189 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.637 -4.384 1.684 1.00 0.00 C ATOM 0 H VAL A 101 7.849 -7.645 1.555 1.00 0.00 H new ATOM 0 HA VAL A 101 8.246 -4.877 0.850 1.00 0.00 H new ATOM 0 HB VAL A 101 6.261 -5.924 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.672 -6.873 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.197 -7.784 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.910 -6.685 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.569 -4.524 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.805 -4.090 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.010 -3.604 1.021 1.00 0.00 H new ATOM 1561 N HIS A 102 8.398 -3.603 3.006 1.00 0.00 N ATOM 1562 CA HIS A 102 9.130 -2.856 4.020 1.00 0.00 C ATOM 1563 C HIS A 102 8.187 -2.117 4.977 1.00 0.00 C ATOM 1564 O HIS A 102 8.013 -0.898 4.896 1.00 0.00 O ATOM 1565 CB HIS A 102 10.139 -1.942 3.291 1.00 0.00 C ATOM 1566 CG HIS A 102 11.510 -1.964 3.894 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.058 -1.044 4.756 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.460 -2.905 3.625 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.326 -1.418 4.984 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.615 -2.545 4.315 1.00 0.00 N ATOM 0 H HIS A 102 7.935 -3.003 2.323 1.00 0.00 H new ATOM 0 HA HIS A 102 9.687 -3.529 4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.205 -2.248 2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.763 -0.919 3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.339 -3.772 2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.019 -0.885 5.619 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.506 -3.041 4.312 1.00 0.00 H new ATOM 1578 N TYR A 103 7.531 -2.860 5.875 1.00 0.00 N ATOM 1579 CA TYR A 103 6.471 -2.342 6.737 1.00 0.00 C ATOM 1580 C TYR A 103 6.932 -1.165 7.614 1.00 0.00 C ATOM 1581 O TYR A 103 6.109 -0.354 8.037 1.00 0.00 O ATOM 1582 CB TYR A 103 5.917 -3.466 7.624 1.00 0.00 C ATOM 1583 CG TYR A 103 5.017 -4.509 6.981 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.910 -4.699 5.587 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.243 -5.306 7.839 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.007 -5.641 5.072 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.345 -6.256 7.337 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.213 -6.412 5.947 1.00 0.00 C ATOM 1589 OH TYR A 103 2.385 -7.362 5.457 1.00 0.00 O ATOM 0 H TYR A 103 7.726 -3.850 6.023 1.00 0.00 H new ATOM 0 HA TYR A 103 5.688 -1.963 6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.764 -3.987 8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.361 -3.004 8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.524 -4.118 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.342 -5.184 8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.919 -5.776 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.760 -6.863 8.012 1.00 0.00 H new ATOM 0 HH TYR A 103 2.908 -8.029 4.965 1.00 0.00 H new ATOM 1599 N GLU A 104 8.226 -1.043 7.899 1.00 0.00 N ATOM 1600 CA GLU A 104 8.776 0.079 8.648 1.00 0.00 C ATOM 1601 C GLU A 104 8.674 1.365 7.828 1.00 0.00 C ATOM 1602 O GLU A 104 7.992 2.304 8.239 1.00 0.00 O ATOM 1603 CB GLU A 104 10.218 -0.234 9.068 1.00 0.00 C ATOM 1604 CG GLU A 104 10.772 0.841 10.005 1.00 0.00 C ATOM 1605 CD GLU A 104 12.246 0.589 10.319 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.578 -0.391 11.024 1.00 0.00 O ATOM 1607 OE2 GLU A 104 13.106 1.365 9.864 1.00 0.00 O ATOM 0 H GLU A 104 8.927 -1.727 7.613 1.00 0.00 H new ATOM 0 HA GLU A 104 8.196 0.235 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.252 -1.204 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.849 -0.307 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.657 1.823 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.196 0.853 10.931 1.00 0.00 H new ATOM 1614 N LEU A 105 9.314 1.382 6.656 1.00 0.00 N ATOM 1615 CA LEU A 105 9.310 2.497 5.708 1.00 0.00 C ATOM 1616 C LEU A 105 7.860 2.917 5.434 1.00 0.00 C ATOM 1617 O LEU A 105 7.514 4.099 5.477 1.00 0.00 O ATOM 1618 CB LEU A 105 9.988 2.027 4.396 1.00 0.00 C ATOM 1619 CG LEU A 105 11.268 2.737 3.932 1.00 0.00 C ATOM 1620 CD1 LEU A 105 11.023 4.205 3.591 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.413 2.603 4.937 1.00 0.00 C ATOM 0 H LEU A 105 9.869 0.591 6.330 1.00 0.00 H new ATOM 0 HA LEU A 105 9.854 3.350 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.219 0.967 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.254 2.113 3.595 1.00 0.00 H new ATOM 0 HG LEU A 105 11.573 2.226 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.957 4.664 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.288 4.274 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.648 4.726 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.293 3.123 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.114 3.041 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.649 1.549 5.081 1.00 0.00 H new ATOM 1633 N LEU A 106 7.001 1.923 5.211 1.00 0.00 N ATOM 1634 CA LEU A 106 5.575 2.091 5.003 1.00 0.00 C ATOM 1635 C LEU A 106 4.923 2.838 6.164 1.00 0.00 C ATOM 1636 O LEU A 106 4.208 3.816 5.921 1.00 0.00 O ATOM 1637 CB LEU A 106 4.940 0.708 4.813 1.00 0.00 C ATOM 1638 CG LEU A 106 4.939 0.280 3.336 1.00 0.00 C ATOM 1639 CD1 LEU A 106 5.255 -1.199 3.126 1.00 0.00 C ATOM 1640 CD2 LEU A 106 3.568 0.582 2.743 1.00 0.00 C ATOM 0 H LEU A 106 7.295 0.947 5.170 1.00 0.00 H new ATOM 0 HA LEU A 106 5.413 2.696 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.486 -0.027 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.917 0.723 5.188 1.00 0.00 H new ATOM 0 HG LEU A 106 5.730 0.843 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.236 -1.427 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.244 -1.420 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.511 -1.807 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.551 0.284 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.805 0.028 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.366 1.650 2.820 1.00 0.00 H new ATOM 1652 N LYS A 107 5.105 2.368 7.405 1.00 0.00 N ATOM 1653 CA LYS A 107 4.388 2.918 8.540 1.00 0.00 C ATOM 1654 C LYS A 107 4.837 4.338 8.858 1.00 0.00 C ATOM 1655 O LYS A 107 3.965 5.175 9.060 1.00 0.00 O ATOM 1656 CB LYS A 107 4.394 1.938 9.724 1.00 0.00 C ATOM 1657 CG LYS A 107 5.521 1.944 10.754 1.00 0.00 C ATOM 1658 CD LYS A 107 5.260 0.857 11.812 1.00 0.00 C ATOM 1659 CE LYS A 107 5.713 -0.546 11.393 1.00 0.00 C ATOM 1660 NZ LYS A 107 7.134 -0.802 11.711 1.00 0.00 N ATOM 0 H LYS A 107 5.744 1.608 7.638 1.00 0.00 H new ATOM 0 HA LYS A 107 3.336 3.030 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.464 2.094 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.352 0.933 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.477 1.765 10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.586 2.922 11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.772 1.132 12.734 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.193 0.831 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.093 -1.289 11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.556 -0.670 10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.525 -1.482 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.668 0.089 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.210 -1.193 12.672 1.00 0.00 H new ATOM 1674 N GLN A 108 6.141 4.636 8.778 1.00 0.00 N ATOM 1675 CA GLN A 108 6.673 5.995 8.931 1.00 0.00 C ATOM 1676 C GLN A 108 5.837 6.986 8.117 1.00 0.00 C ATOM 1677 O GLN A 108 5.302 7.950 8.666 1.00 0.00 O ATOM 1678 CB GLN A 108 8.143 6.056 8.459 1.00 0.00 C ATOM 1679 CG GLN A 108 9.187 5.302 9.294 1.00 0.00 C ATOM 1680 CD GLN A 108 10.629 5.398 8.776 1.00 0.00 C ATOM 1681 OE1 GLN A 108 11.574 5.250 9.550 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.880 5.639 7.499 1.00 0.00 N ATOM 0 H GLN A 108 6.861 3.935 8.604 1.00 0.00 H new ATOM 0 HA GLN A 108 6.625 6.263 9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.185 5.671 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.439 7.104 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.158 5.684 10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.903 4.251 9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.109 5.764 6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.844 5.699 7.171 1.00 0.00 H new ATOM 1691 N MET A 109 5.725 6.745 6.809 1.00 0.00 N ATOM 1692 CA MET A 109 5.137 7.737 5.927 1.00 0.00 C ATOM 1693 C MET A 109 3.630 7.863 6.099 1.00 0.00 C ATOM 1694 O MET A 109 3.143 8.990 6.115 1.00 0.00 O ATOM 1695 CB MET A 109 5.561 7.510 4.473 1.00 0.00 C ATOM 1696 CG MET A 109 5.134 6.169 3.890 1.00 0.00 C ATOM 1697 SD MET A 109 5.648 5.896 2.180 1.00 0.00 S ATOM 1698 CE MET A 109 7.453 5.969 2.362 1.00 0.00 C ATOM 0 H MET A 109 6.029 5.886 6.350 1.00 0.00 H new ATOM 0 HA MET A 109 5.536 8.707 6.223 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.145 8.308 3.858 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.646 7.591 4.408 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.542 5.371 4.510 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.048 6.092 3.946 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.825 6.896 1.926 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.714 5.935 3.420 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.905 5.120 1.849 1.00 0.00 H new ATOM 1708 N ILE A 110 2.875 6.764 6.230 1.00 0.00 N ATOM 1709 CA ILE A 110 1.420 6.891 6.328 1.00 0.00 C ATOM 1710 C ILE A 110 1.051 7.588 7.637 1.00 0.00 C ATOM 1711 O ILE A 110 0.200 8.473 7.630 1.00 0.00 O ATOM 1712 CB ILE A 110 0.706 5.539 6.101 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.807 5.713 5.841 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.983 4.479 7.172 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.712 5.775 7.077 1.00 0.00 C ATOM 0 H ILE A 110 3.234 5.810 6.269 1.00 0.00 H new ATOM 0 HA ILE A 110 1.055 7.526 5.521 1.00 0.00 H new ATOM 0 HB ILE A 110 1.158 5.143 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.951 6.628 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.142 4.887 5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.440 3.566 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.052 4.268 7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.654 4.849 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.749 5.898 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.613 4.851 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.419 6.620 7.701 1.00 0.00 H new ATOM 1727 N GLU A 111 1.706 7.223 8.741 1.00 0.00 N ATOM 1728 CA GLU A 111 1.398 7.787 10.045 1.00 0.00 C ATOM 1729 C GLU A 111 1.706 9.282 10.051 1.00 0.00 C ATOM 1730 O GLU A 111 0.896 10.055 10.560 1.00 0.00 O ATOM 1731 CB GLU A 111 2.145 7.018 11.145 1.00 0.00 C ATOM 1732 CG GLU A 111 1.561 5.596 11.232 1.00 0.00 C ATOM 1733 CD GLU A 111 1.909 4.835 12.511 1.00 0.00 C ATOM 1734 OE1 GLU A 111 3.034 4.289 12.625 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.010 4.651 13.364 1.00 0.00 O ATOM 0 H GLU A 111 2.458 6.534 8.751 1.00 0.00 H new ATOM 0 HA GLU A 111 0.334 7.680 10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.211 6.976 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.040 7.529 12.102 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.476 5.659 11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.915 5.021 10.376 1.00 0.00 H new ATOM 1742 N PHE A 112 2.809 9.709 9.423 1.00 0.00 N ATOM 1743 CA PHE A 112 3.045 11.127 9.197 1.00 0.00 C ATOM 1744 C PHE A 112 1.961 11.737 8.306 1.00 0.00 C ATOM 1745 O PHE A 112 1.445 12.789 8.650 1.00 0.00 O ATOM 1746 CB PHE A 112 4.427 11.384 8.595 1.00 0.00 C ATOM 1747 CG PHE A 112 4.660 12.856 8.256 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.326 13.860 9.188 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.119 13.247 6.983 1.00 0.00 C ATOM 1750 CE1 PHE A 112 4.443 15.219 8.850 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.250 14.606 6.650 1.00 0.00 C ATOM 1752 CZ PHE A 112 4.912 15.596 7.585 1.00 0.00 C ATOM 0 H PHE A 112 3.541 9.094 9.068 1.00 0.00 H new ATOM 0 HA PHE A 112 3.006 11.612 10.173 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.192 11.052 9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.542 10.785 7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.977 13.582 10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.374 12.493 6.253 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.170 15.977 9.569 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.612 14.889 5.672 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.013 16.641 7.331 1.00 0.00 H new ATOM 1762 N ASN A 113 1.588 11.115 7.183 1.00 0.00 N ATOM 1763 CA ASN A 113 0.655 11.708 6.215 1.00 0.00 C ATOM 1764 C ASN A 113 -0.720 11.984 6.829 1.00 0.00 C ATOM 1765 O ASN A 113 -1.466 12.807 6.302 1.00 0.00 O ATOM 1766 CB ASN A 113 0.514 10.816 4.968 1.00 0.00 C ATOM 1767 CG ASN A 113 0.267 11.583 3.664 1.00 0.00 C ATOM 1768 OD1 ASN A 113 0.897 11.291 2.654 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.659 12.524 3.629 1.00 0.00 N ATOM 0 H ASN A 113 1.922 10.188 6.918 1.00 0.00 H new ATOM 0 HA ASN A 113 1.079 12.667 5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.420 10.220 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.309 10.119 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.855 13.014 2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.178 12.760 4.475 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.062 11.309 7.928 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.207 11.628 8.767 1.00 0.00 C ATOM 1778 C ILE A 114 -1.880 12.893 9.578 1.00 0.00 C ATOM 1779 O ILE A 114 -2.577 13.894 9.428 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.552 10.407 9.650 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.038 9.223 8.766 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.635 10.743 10.695 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.136 7.866 9.480 1.00 0.00 C ATOM 0 H ILE A 114 -0.533 10.504 8.264 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.094 11.841 8.171 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.643 10.124 10.180 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.018 9.473 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.359 9.121 7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.849 9.858 11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.279 11.544 11.343 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.544 11.065 10.187 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.483 7.109 8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.155 7.584 9.861 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.840 7.941 10.309 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.848 12.870 10.437 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.578 13.967 11.380 1.00 0.00 C ATOM 1797 C GLN A 115 0.049 15.211 10.723 1.00 0.00 C ATOM 1798 O GLN A 115 0.254 16.235 11.374 1.00 0.00 O ATOM 1799 CB GLN A 115 0.230 13.474 12.589 1.00 0.00 C ATOM 1800 CG GLN A 115 1.641 12.991 12.263 1.00 0.00 C ATOM 1801 CD GLN A 115 2.449 12.708 13.527 1.00 0.00 C ATOM 1802 OE1 GLN A 115 2.750 13.614 14.301 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.822 11.460 13.763 1.00 0.00 N ATOM 0 H GLN A 115 -0.183 12.099 10.497 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.550 14.302 11.743 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.297 14.282 13.317 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.316 12.660 13.066 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.585 12.087 11.657 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.154 13.744 11.665 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.565 10.719 13.111 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.367 11.240 14.597 1.00 0.00 H new ATOM 1812 N ASP A 116 0.334 15.160 9.427 1.00 0.00 N ATOM 1813 CA ASP A 116 0.621 16.343 8.600 1.00 0.00 C ATOM 1814 C ASP A 116 -0.629 17.218 8.448 1.00 0.00 C ATOM 1815 O ASP A 116 -0.555 18.415 8.155 1.00 0.00 O ATOM 1816 CB ASP A 116 1.122 15.889 7.223 1.00 0.00 C ATOM 1817 CG ASP A 116 1.433 17.058 6.283 1.00 0.00 C ATOM 1818 OD1 ASP A 116 2.258 17.938 6.617 1.00 0.00 O ATOM 1819 OD2 ASP A 116 0.902 17.059 5.149 1.00 0.00 O ATOM 0 H ASP A 116 0.375 14.284 8.906 1.00 0.00 H new ATOM 0 HA ASP A 116 1.391 16.939 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.020 15.284 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.370 15.249 6.762 1.00 0.00 H new ATOM 1824 N LYS A 117 -1.802 16.629 8.683 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.107 17.240 8.466 1.00 0.00 C ATOM 1826 C LYS A 117 -3.759 17.645 9.789 1.00 0.00 C ATOM 1827 O LYS A 117 -4.928 18.040 9.800 1.00 0.00 O ATOM 1828 CB LYS A 117 -3.998 16.285 7.664 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.299 15.663 6.441 1.00 0.00 C ATOM 1830 CD LYS A 117 -2.787 16.687 5.429 1.00 0.00 C ATOM 1831 CE LYS A 117 -1.972 16.003 4.329 1.00 0.00 C ATOM 1832 NZ LYS A 117 -1.285 16.989 3.475 1.00 0.00 N ATOM 0 H LYS A 117 -1.868 15.677 9.043 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.975 18.155 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.341 15.485 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.884 16.824 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.461 15.056 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.996 14.990 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.629 17.220 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.171 17.429 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -1.237 15.336 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -2.630 15.386 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.092 16.567 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -1.890 17.827 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.388 17.269 3.921 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.029 17.507 10.898 1.00 0.00 N ATOM 1847 CA GLU A 118 -3.475 17.871 12.233 1.00 0.00 C ATOM 1848 C GLU A 118 -3.906 19.324 12.207 1.00 0.00 C ATOM 1849 O GLU A 118 -5.022 19.620 12.690 1.00 0.00 O ATOM 1850 CB GLU A 118 -2.372 17.598 13.272 1.00 0.00 C ATOM 1851 CG GLU A 118 -2.795 16.500 14.259 1.00 0.00 C ATOM 1852 CD GLU A 118 -1.765 16.261 15.372 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -0.705 15.643 15.126 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -2.018 16.632 16.540 1.00 0.00 O ATOM 0 H GLU A 118 -2.083 17.127 10.885 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.326 17.260 12.533 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.456 17.299 12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.149 18.515 13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.750 16.772 14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.953 15.570 13.713 1.00 0.00 H new TER 1861 GLU A 118