USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 975 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 33 GLN : amide:sc= -1.34 X(o=-5.3,f=-5.5!) USER MOD Set 1.2: A 119 LYS NZ :NH3+ -163:sc= -4 (180deg=-4.7!) USER MOD Set 2.1: A 94 THR OG1 : rot -76:sc= -0.421! USER MOD Set 2.2: A 96 TYR OH : rot -48:sc= 0.0775 USER MOD Set 3.1: A 71 SER OG : rot 120:sc= -0.179! USER MOD Set 3.2: A 73 LYS NZ :NH3+ 142:sc= 0.62 (180deg=-0.419) USER MOD Set 4.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 74 ASN : amide:sc= -2 K(o=-2,f=-11!) USER MOD Set 5.1: A 9 THR OG1 : rot 115:sc= -3.4! USER MOD Set 5.2: A 51 LYS NZ :NH3+ -162:sc= -0.324 (180deg=-0.713) USER MOD Set 6.1: A 30 SER OG : rot -102:sc= 0.464! USER MOD Set 6.2: A 32 ASN : amide:sc= -0.51! C(o=-0.046!,f=-13!) USER MOD Set 7.1: A 23 ASN : amide:sc= -0.462 X(o=2.3,f=2.3) USER MOD Set 7.2: A 27 ASN : amide:sc= 1.23 K(o=2.3,f=-7.7!) USER MOD Set 7.3: A 29 SER OG : rot -76:sc= 1.51 USER MOD Single : A 1 GLU N :NH3+ -132:sc= 0.0637 (180deg=-0.481) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= 0.0309 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -32:sc= 0.0847 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -71:sc= -1.31! USER MOD Single : A 14 THR OG1 : rot 6:sc= 0.928 USER MOD Single : A 17 SER OG : rot 160:sc= -0.0118 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc=-0.00984 (180deg=-0.362) USER MOD Single : A 31 ASN : amide:sc= -0.484! C(o=-0.48!,f=-13!) USER MOD Single : A 34 GLN : amide:sc= -0.0553 K(o=-0.055,f=-1.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.36 K(o=-0.36,f=-5.6!) USER MOD Single : A 45 ASN : amide:sc= -0.0565 K(o=-0.056,f=-1.3!) USER MOD Single : A 54 SER OG : rot -33:sc= 0.0905 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.644 K(o=-0.64,f=-2.1) USER MOD Single : A 69 ASN : amide:sc= -2.57! C(o=-2.6!,f=-2.3!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 79 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.6!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.114) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -1.52! C(o=-5.4!,f=-1.5!) USER MOD Single : A 88 MET CE :methyl 174:sc= 0 (180deg=-0.0198) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.3!) USER MOD Single : A 93 ASN : amide:sc= -2.5! C(o=-2.5!,f=-5.6!) USER MOD Single : A 97 SER OG : rot 86:sc= -1.77 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.00877 K(o=-0.0088,f=-1.8!) USER MOD Single : A 108 LYS NZ :NH3+ -125:sc= -0.171 (180deg=-1.02) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -173:sc= 0.208 (180deg=0.121!) USER MOD Single : A 117 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.4!) USER MOD Single : A 120 LYS NZ :NH3+ 166:sc= 0.00181 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc=-0.00707 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.203 15.990 -4.106 1.00 0.00 N ATOM 2 CA GLU A 1 116.361 15.112 -4.432 1.00 0.00 C ATOM 3 C GLU A 1 115.973 13.650 -4.205 1.00 0.00 C ATOM 4 O GLU A 1 114.879 13.348 -3.769 1.00 0.00 O ATOM 5 CB GLU A 1 117.544 15.471 -3.531 1.00 0.00 C ATOM 6 CG GLU A 1 118.013 16.893 -3.844 1.00 0.00 C ATOM 7 CD GLU A 1 118.523 16.958 -5.284 1.00 0.00 C ATOM 8 OE1 GLU A 1 118.838 15.912 -5.828 1.00 0.00 O ATOM 9 OE2 GLU A 1 118.587 18.052 -5.820 1.00 0.00 O ATOM 0 H1 GLU A 1 115.061 16.677 -4.874 1.00 0.00 H new ATOM 0 H2 GLU A 1 114.347 15.410 -3.998 1.00 0.00 H new ATOM 0 H3 GLU A 1 115.392 16.498 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 1 116.642 15.256 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 1 117.253 15.395 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 1 118.360 14.765 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 1 117.192 17.596 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 1 118.804 17.187 -3.154 1.00 0.00 H new ATOM 18 N LYS A 2 116.860 12.737 -4.494 1.00 0.00 N ATOM 19 CA LYS A 2 116.540 11.297 -4.291 1.00 0.00 C ATOM 20 C LYS A 2 116.619 10.967 -2.799 1.00 0.00 C ATOM 21 O LYS A 2 117.177 11.713 -2.017 1.00 0.00 O ATOM 22 CB LYS A 2 117.539 10.433 -5.067 1.00 0.00 C ATOM 23 CG LYS A 2 117.388 10.705 -6.566 1.00 0.00 C ATOM 24 CD LYS A 2 118.390 9.853 -7.349 1.00 0.00 C ATOM 25 CE LYS A 2 117.807 8.457 -7.578 1.00 0.00 C ATOM 26 NZ LYS A 2 118.756 7.647 -8.393 1.00 0.00 N ATOM 0 H LYS A 2 117.792 12.927 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 2 115.533 11.092 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.556 10.657 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.363 9.378 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 2 116.372 10.475 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.556 11.762 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 2 118.616 10.325 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 2 119.329 9.781 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.623 7.967 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.846 8.532 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 118.359 6.698 -8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 118.910 8.112 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 119.663 7.565 -7.890 1.00 0.00 H new ATOM 40 N VAL A 3 116.050 9.864 -2.392 1.00 0.00 N ATOM 41 CA VAL A 3 116.074 9.493 -0.947 1.00 0.00 C ATOM 42 C VAL A 3 117.062 8.347 -0.716 1.00 0.00 C ATOM 43 O VAL A 3 117.083 7.379 -1.444 1.00 0.00 O ATOM 44 CB VAL A 3 114.677 9.036 -0.524 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.732 8.459 0.893 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.716 10.224 -0.556 1.00 0.00 C ATOM 0 H VAL A 3 115.568 9.202 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 3 116.382 10.359 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 3 114.325 8.269 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.736 8.134 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.413 7.608 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.087 9.224 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.721 9.896 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 3 114.067 10.995 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.673 10.630 -1.567 1.00 0.00 H new ATOM 56 N LYS A 4 117.883 8.448 0.295 1.00 0.00 N ATOM 57 CA LYS A 4 118.853 7.351 0.560 1.00 0.00 C ATOM 58 C LYS A 4 118.078 6.135 1.070 1.00 0.00 C ATOM 59 O LYS A 4 117.357 6.214 2.047 1.00 0.00 O ATOM 60 CB LYS A 4 119.866 7.790 1.621 1.00 0.00 C ATOM 61 CG LYS A 4 120.625 9.027 1.138 1.00 0.00 C ATOM 62 CD LYS A 4 121.506 8.654 -0.058 1.00 0.00 C ATOM 63 CE LYS A 4 122.601 9.709 -0.231 1.00 0.00 C ATOM 64 NZ LYS A 4 123.745 9.389 0.669 1.00 0.00 N ATOM 0 H LYS A 4 117.923 9.235 0.942 1.00 0.00 H new ATOM 0 HA LYS A 4 119.390 7.104 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.353 8.010 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.566 6.980 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.922 9.810 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.239 9.427 1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.953 7.672 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.902 8.589 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 4 122.936 9.734 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.207 10.699 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 124.211 10.270 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.396 8.884 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 124.427 8.789 0.163 1.00 0.00 H new ATOM 78 N GLY A 5 118.219 5.014 0.423 1.00 0.00 N ATOM 79 CA GLY A 5 117.482 3.804 0.877 1.00 0.00 C ATOM 80 C GLY A 5 117.718 2.661 -0.106 1.00 0.00 C ATOM 81 O GLY A 5 118.184 2.867 -1.217 1.00 0.00 O ATOM 0 H GLY A 5 118.810 4.883 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.816 3.515 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.416 4.021 0.949 1.00 0.00 H new ATOM 85 N CYS A 6 117.402 1.457 0.292 1.00 0.00 N ATOM 86 CA CYS A 6 117.610 0.288 -0.612 1.00 0.00 C ATOM 87 C CYS A 6 116.255 -0.210 -1.118 1.00 0.00 C ATOM 88 O CYS A 6 115.292 -0.299 -0.371 1.00 0.00 O ATOM 89 CB CYS A 6 118.301 -0.828 0.167 1.00 0.00 C ATOM 90 SG CYS A 6 119.177 -1.922 -0.979 1.00 0.00 S ATOM 0 H CYS A 6 117.008 1.232 1.206 1.00 0.00 H new ATOM 0 HA CYS A 6 118.228 0.583 -1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 6 119.001 -0.403 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.565 -1.396 0.736 1.00 0.00 H new ATOM 95 N ASP A 7 116.173 -0.543 -2.377 1.00 0.00 N ATOM 96 CA ASP A 7 114.885 -1.047 -2.937 1.00 0.00 C ATOM 97 C ASP A 7 115.056 -2.506 -3.370 1.00 0.00 C ATOM 98 O ASP A 7 115.716 -2.799 -4.347 1.00 0.00 O ATOM 99 CB ASP A 7 114.489 -0.198 -4.145 1.00 0.00 C ATOM 100 CG ASP A 7 113.145 -0.682 -4.691 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.668 -1.702 -4.221 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.614 -0.024 -5.571 1.00 0.00 O ATOM 0 H ASP A 7 116.943 -0.488 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 7 114.106 -0.982 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.420 0.851 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.254 -0.268 -4.918 1.00 0.00 H new ATOM 107 N PHE A 8 114.460 -3.422 -2.656 1.00 0.00 N ATOM 108 CA PHE A 8 114.582 -4.859 -3.033 1.00 0.00 C ATOM 109 C PHE A 8 113.500 -5.196 -4.061 1.00 0.00 C ATOM 110 O PHE A 8 113.388 -6.316 -4.519 1.00 0.00 O ATOM 111 CB PHE A 8 114.394 -5.734 -1.792 1.00 0.00 C ATOM 112 CG PHE A 8 115.439 -5.388 -0.757 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.781 -5.722 -0.975 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.063 -4.736 0.424 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.747 -5.402 -0.013 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.028 -4.418 1.386 1.00 0.00 C ATOM 117 CZ PHE A 8 117.370 -4.751 1.168 1.00 0.00 C ATOM 0 H PHE A 8 113.894 -3.237 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 8 115.569 -5.045 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.397 -5.585 -1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.472 -6.787 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 8 117.071 -6.226 -1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.028 -4.479 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.783 -5.657 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.737 -3.916 2.297 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.115 -4.506 1.911 1.00 0.00 H new ATOM 127 N THR A 9 112.690 -4.232 -4.404 1.00 0.00 N ATOM 128 CA THR A 9 111.594 -4.490 -5.380 1.00 0.00 C ATOM 129 C THR A 9 111.994 -4.005 -6.776 1.00 0.00 C ATOM 130 O THR A 9 111.398 -4.384 -7.763 1.00 0.00 O ATOM 131 CB THR A 9 110.340 -3.739 -4.926 1.00 0.00 C ATOM 132 OG1 THR A 9 110.107 -3.999 -3.549 1.00 0.00 O ATOM 133 CG2 THR A 9 109.135 -4.205 -5.745 1.00 0.00 C ATOM 0 H THR A 9 112.740 -3.277 -4.050 1.00 0.00 H new ATOM 0 HA THR A 9 111.400 -5.562 -5.424 1.00 0.00 H new ATOM 0 HB THR A 9 110.485 -2.669 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.209 -3.169 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.244 -3.668 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.313 -4.004 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.988 -5.275 -5.599 1.00 0.00 H new ATOM 141 N THR A 10 112.984 -3.159 -6.877 1.00 0.00 N ATOM 142 CA THR A 10 113.382 -2.656 -8.224 1.00 0.00 C ATOM 143 C THR A 10 114.823 -2.145 -8.194 1.00 0.00 C ATOM 144 O THR A 10 115.189 -1.330 -7.370 1.00 0.00 O ATOM 145 CB THR A 10 112.449 -1.514 -8.631 1.00 0.00 C ATOM 146 OG1 THR A 10 111.104 -1.890 -8.375 1.00 0.00 O ATOM 147 CG2 THR A 10 112.621 -1.212 -10.121 1.00 0.00 C ATOM 0 H THR A 10 113.529 -2.798 -6.094 1.00 0.00 H new ATOM 0 HA THR A 10 113.310 -3.471 -8.944 1.00 0.00 H new ATOM 0 HB THR A 10 112.695 -0.623 -8.054 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.004 -2.856 -8.505 1.00 0.00 H new ATOM 0 HG21 THR A 10 111.955 -0.398 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.653 -0.921 -10.317 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.378 -2.101 -10.703 1.00 0.00 H new ATOM 155 N SER A 11 115.647 -2.615 -9.093 1.00 0.00 N ATOM 156 CA SER A 11 117.062 -2.150 -9.115 1.00 0.00 C ATOM 157 C SER A 11 117.087 -0.649 -9.394 1.00 0.00 C ATOM 158 O SER A 11 117.983 0.060 -8.980 1.00 0.00 O ATOM 159 CB SER A 11 117.825 -2.883 -10.221 1.00 0.00 C ATOM 160 OG SER A 11 117.208 -2.621 -11.474 1.00 0.00 O ATOM 0 H SER A 11 115.401 -3.298 -9.810 1.00 0.00 H new ATOM 0 HA SER A 11 117.532 -2.357 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 11 118.864 -2.555 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.832 -3.955 -10.024 1.00 0.00 H new ATOM 0 HG SER A 11 117.697 -3.088 -12.183 1.00 0.00 H new ATOM 166 N GLU A 12 116.095 -0.159 -10.089 1.00 0.00 N ATOM 167 CA GLU A 12 116.035 1.299 -10.393 1.00 0.00 C ATOM 168 C GLU A 12 114.904 1.925 -9.578 1.00 0.00 C ATOM 169 O GLU A 12 113.739 1.704 -9.848 1.00 0.00 O ATOM 170 CB GLU A 12 115.758 1.493 -11.885 1.00 0.00 C ATOM 171 CG GLU A 12 116.962 1.014 -12.697 1.00 0.00 C ATOM 172 CD GLU A 12 116.648 1.132 -14.189 1.00 0.00 C ATOM 173 OE1 GLU A 12 115.554 1.563 -14.512 1.00 0.00 O ATOM 174 OE2 GLU A 12 117.508 0.788 -14.983 1.00 0.00 O ATOM 0 H GLU A 12 115.321 -0.709 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 12 116.982 1.774 -10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 114.867 0.937 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.560 2.544 -12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.841 1.610 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.197 -0.020 -12.444 1.00 0.00 H new ATOM 181 N SER A 13 115.234 2.699 -8.580 1.00 0.00 N ATOM 182 CA SER A 13 114.172 3.328 -7.742 1.00 0.00 C ATOM 183 C SER A 13 114.081 4.826 -8.034 1.00 0.00 C ATOM 184 O SER A 13 114.947 5.597 -7.669 1.00 0.00 O ATOM 185 CB SER A 13 114.510 3.122 -6.266 1.00 0.00 C ATOM 186 OG SER A 13 114.463 1.735 -5.963 1.00 0.00 O ATOM 0 H SER A 13 116.191 2.923 -8.309 1.00 0.00 H new ATOM 0 HA SER A 13 113.214 2.864 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.501 3.520 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.804 3.667 -5.640 1.00 0.00 H new ATOM 0 HG SER A 13 113.532 1.429 -5.973 1.00 0.00 H new ATOM 192 N THR A 14 113.025 5.239 -8.671 1.00 0.00 N ATOM 193 CA THR A 14 112.849 6.685 -8.974 1.00 0.00 C ATOM 194 C THR A 14 112.654 7.433 -7.658 1.00 0.00 C ATOM 195 O THR A 14 112.442 8.630 -7.633 1.00 0.00 O ATOM 196 CB THR A 14 111.616 6.876 -9.862 1.00 0.00 C ATOM 197 OG1 THR A 14 111.177 8.225 -9.776 1.00 0.00 O ATOM 198 CG2 THR A 14 110.498 5.944 -9.392 1.00 0.00 C ATOM 0 H THR A 14 112.271 4.634 -8.997 1.00 0.00 H new ATOM 0 HA THR A 14 113.725 7.069 -9.497 1.00 0.00 H new ATOM 0 HB THR A 14 111.872 6.641 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.820 8.745 -9.251 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.621 6.080 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.835 4.910 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.240 6.177 -8.359 1.00 0.00 H new ATOM 206 N ILE A 15 112.726 6.727 -6.560 1.00 0.00 N ATOM 207 CA ILE A 15 112.547 7.377 -5.231 1.00 0.00 C ATOM 208 C ILE A 15 113.756 7.098 -4.334 1.00 0.00 C ATOM 209 O ILE A 15 114.096 7.894 -3.480 1.00 0.00 O ATOM 210 CB ILE A 15 111.279 6.827 -4.574 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.211 5.312 -4.783 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.047 7.482 -5.202 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.084 4.726 -3.930 1.00 0.00 C ATOM 0 H ILE A 15 112.902 5.723 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 15 112.457 8.455 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 15 111.302 7.048 -3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 15 111.038 5.087 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.162 4.854 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.146 7.088 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.092 8.561 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 15 110.024 7.264 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.037 3.647 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.276 4.938 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.135 5.175 -4.223 1.00 0.00 H new ATOM 225 N PHE A 16 114.403 5.971 -4.506 1.00 0.00 N ATOM 226 CA PHE A 16 115.578 5.644 -3.640 1.00 0.00 C ATOM 227 C PHE A 16 116.862 5.644 -4.472 1.00 0.00 C ATOM 228 O PHE A 16 116.866 5.276 -5.627 1.00 0.00 O ATOM 229 CB PHE A 16 115.384 4.264 -3.004 1.00 0.00 C ATOM 230 CG PHE A 16 114.352 4.352 -1.902 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.654 5.024 -0.711 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.093 3.763 -2.072 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.699 5.107 0.310 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.139 3.846 -1.052 1.00 0.00 C ATOM 235 CZ PHE A 16 112.441 4.517 0.138 1.00 0.00 C ATOM 0 H PHE A 16 114.169 5.266 -5.206 1.00 0.00 H new ATOM 0 HA PHE A 16 115.659 6.399 -2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.063 3.546 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.330 3.902 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.625 5.479 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.859 3.245 -2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.933 5.625 1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.168 3.392 -1.183 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.703 4.580 0.924 1.00 0.00 H new ATOM 245 N SER A 17 117.947 6.078 -3.889 1.00 0.00 N ATOM 246 CA SER A 17 119.238 6.131 -4.635 1.00 0.00 C ATOM 247 C SER A 17 119.834 4.730 -4.792 1.00 0.00 C ATOM 248 O SER A 17 120.640 4.496 -5.671 1.00 0.00 O ATOM 249 CB SER A 17 120.225 7.007 -3.869 1.00 0.00 C ATOM 250 OG SER A 17 120.431 6.458 -2.574 1.00 0.00 O ATOM 0 H SER A 17 117.995 6.400 -2.922 1.00 0.00 H new ATOM 0 HA SER A 17 119.050 6.546 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 17 121.171 7.065 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 17 119.841 8.024 -3.789 1.00 0.00 H new ATOM 0 HG SER A 17 121.270 6.802 -2.202 1.00 0.00 H new ATOM 256 N LYS A 18 119.466 3.795 -3.951 1.00 0.00 N ATOM 257 CA LYS A 18 120.050 2.425 -4.071 1.00 0.00 C ATOM 258 C LYS A 18 118.951 1.390 -4.319 1.00 0.00 C ATOM 259 O LYS A 18 117.969 1.326 -3.610 1.00 0.00 O ATOM 260 CB LYS A 18 120.789 2.076 -2.777 1.00 0.00 C ATOM 261 CG LYS A 18 121.695 0.866 -3.017 1.00 0.00 C ATOM 262 CD LYS A 18 123.044 1.338 -3.565 1.00 0.00 C ATOM 263 CE LYS A 18 123.982 0.142 -3.718 1.00 0.00 C ATOM 264 NZ LYS A 18 125.288 0.603 -4.267 1.00 0.00 N ATOM 0 H LYS A 18 118.793 3.920 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 18 120.741 2.411 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.382 2.927 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 120.073 1.856 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.841 0.317 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 121.224 0.180 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.905 1.829 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.484 2.074 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.132 -0.342 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 18 123.538 -0.600 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.927 -0.211 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.137 1.046 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.713 1.296 -3.618 1.00 0.00 H new ATOM 278 N GLY A 19 119.120 0.572 -5.321 1.00 0.00 N ATOM 279 CA GLY A 19 118.095 -0.471 -5.618 1.00 0.00 C ATOM 280 C GLY A 19 118.791 -1.771 -6.032 1.00 0.00 C ATOM 281 O GLY A 19 119.901 -1.761 -6.527 1.00 0.00 O ATOM 0 H GLY A 19 119.924 0.580 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.472 -0.644 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.435 -0.130 -6.415 1.00 0.00 H new ATOM 285 N TYR A 20 118.145 -2.890 -5.833 1.00 0.00 N ATOM 286 CA TYR A 20 118.760 -4.198 -6.213 1.00 0.00 C ATOM 287 C TYR A 20 117.825 -4.945 -7.168 1.00 0.00 C ATOM 288 O TYR A 20 116.627 -4.749 -7.160 1.00 0.00 O ATOM 289 CB TYR A 20 118.978 -5.044 -4.958 1.00 0.00 C ATOM 290 CG TYR A 20 120.216 -4.576 -4.232 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.222 -3.337 -3.583 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.358 -5.387 -4.205 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.368 -2.909 -2.903 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.504 -4.959 -3.526 1.00 0.00 C ATOM 295 CZ TYR A 20 122.511 -3.719 -2.876 1.00 0.00 C ATOM 296 OH TYR A 20 123.640 -3.298 -2.206 1.00 0.00 O ATOM 0 H TYR A 20 117.214 -2.955 -5.422 1.00 0.00 H new ATOM 0 HA TYR A 20 119.716 -4.018 -6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.111 -4.968 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.081 -6.094 -5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.342 -2.711 -3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.354 -6.343 -4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.371 -1.954 -2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.384 -5.585 -3.503 1.00 0.00 H new ATOM 0 HH TYR A 20 124.340 -3.979 -2.285 1.00 0.00 H new ATOM 306 N SER A 21 118.366 -5.811 -7.980 1.00 0.00 N ATOM 307 CA SER A 21 117.512 -6.583 -8.926 1.00 0.00 C ATOM 308 C SER A 21 117.084 -7.893 -8.263 1.00 0.00 C ATOM 309 O SER A 21 117.763 -8.409 -7.396 1.00 0.00 O ATOM 310 CB SER A 21 118.306 -6.891 -10.196 1.00 0.00 C ATOM 311 OG SER A 21 117.476 -7.587 -11.113 1.00 0.00 O ATOM 0 H SER A 21 119.364 -6.018 -8.029 1.00 0.00 H new ATOM 0 HA SER A 21 116.630 -5.997 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 21 118.668 -5.966 -10.645 1.00 0.00 H new ATOM 0 HB3 SER A 21 119.183 -7.492 -9.953 1.00 0.00 H new ATOM 0 HG SER A 21 117.983 -7.784 -11.928 1.00 0.00 H new ATOM 317 N ILE A 22 115.961 -8.438 -8.651 1.00 0.00 N ATOM 318 CA ILE A 22 115.501 -9.709 -8.031 1.00 0.00 C ATOM 319 C ILE A 22 116.630 -10.742 -8.086 1.00 0.00 C ATOM 320 O ILE A 22 116.771 -11.566 -7.205 1.00 0.00 O ATOM 321 CB ILE A 22 114.278 -10.238 -8.784 1.00 0.00 C ATOM 322 CG1 ILE A 22 114.629 -10.451 -10.257 1.00 0.00 C ATOM 323 CG2 ILE A 22 113.135 -9.228 -8.674 1.00 0.00 C ATOM 324 CD1 ILE A 22 113.442 -11.102 -10.973 1.00 0.00 C ATOM 0 H ILE A 22 115.345 -8.057 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 22 115.229 -9.527 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 22 113.970 -11.188 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 22 114.872 -9.498 -10.726 1.00 0.00 H new ATOM 0 HG13 ILE A 22 115.512 -11.084 -10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 22 112.264 -9.605 -9.210 1.00 0.00 H new ATOM 0 HG22 ILE A 22 112.879 -9.081 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 22 113.446 -8.278 -9.109 1.00 0.00 H new ATOM 0 HD11 ILE A 22 113.690 -11.255 -12.023 1.00 0.00 H new ATOM 0 HD12 ILE A 22 113.220 -12.063 -10.509 1.00 0.00 H new ATOM 0 HD13 ILE A 22 112.570 -10.452 -10.897 1.00 0.00 H new ATOM 336 N ASN A 23 117.433 -10.706 -9.114 1.00 0.00 N ATOM 337 CA ASN A 23 118.550 -11.687 -9.222 1.00 0.00 C ATOM 338 C ASN A 23 119.611 -11.378 -8.164 1.00 0.00 C ATOM 339 O ASN A 23 120.098 -12.257 -7.482 1.00 0.00 O ATOM 340 CB ASN A 23 119.178 -11.596 -10.613 1.00 0.00 C ATOM 341 CG ASN A 23 120.350 -12.574 -10.710 1.00 0.00 C ATOM 342 OD1 ASN A 23 120.202 -13.747 -10.430 1.00 0.00 O ATOM 343 ND2 ASN A 23 121.518 -12.138 -11.096 1.00 0.00 N ATOM 0 H ASN A 23 117.364 -10.040 -9.884 1.00 0.00 H new ATOM 0 HA ASN A 23 118.162 -12.693 -9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 23 118.434 -11.827 -11.375 1.00 0.00 H new ATOM 0 HB3 ASN A 23 119.523 -10.579 -10.802 1.00 0.00 H new ATOM 0 HD21 ASN A 23 122.306 -12.782 -11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 23 121.643 -11.153 -11.331 1.00 0.00 H new ATOM 350 N GLU A 24 119.982 -10.132 -8.033 1.00 0.00 N ATOM 351 CA GLU A 24 121.028 -9.764 -7.036 1.00 0.00 C ATOM 352 C GLU A 24 120.613 -10.230 -5.638 1.00 0.00 C ATOM 353 O GLU A 24 121.392 -10.826 -4.922 1.00 0.00 O ATOM 354 CB GLU A 24 121.212 -8.245 -7.031 1.00 0.00 C ATOM 355 CG GLU A 24 121.830 -7.799 -8.358 1.00 0.00 C ATOM 356 CD GLU A 24 121.925 -6.271 -8.390 1.00 0.00 C ATOM 357 OE1 GLU A 24 121.526 -5.651 -7.418 1.00 0.00 O ATOM 358 OE2 GLU A 24 122.395 -5.747 -9.387 1.00 0.00 O ATOM 0 H GLU A 24 119.605 -9.353 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 24 121.965 -10.249 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 24 120.251 -7.753 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 24 121.854 -7.949 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 24 122.821 -8.238 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 24 121.223 -8.154 -9.191 1.00 0.00 H new ATOM 365 N ILE A 25 119.397 -9.973 -5.243 1.00 0.00 N ATOM 366 CA ILE A 25 118.953 -10.411 -3.890 1.00 0.00 C ATOM 367 C ILE A 25 118.909 -11.939 -3.838 1.00 0.00 C ATOM 368 O ILE A 25 119.287 -12.545 -2.855 1.00 0.00 O ATOM 369 CB ILE A 25 117.570 -9.829 -3.583 1.00 0.00 C ATOM 370 CG1 ILE A 25 116.569 -10.281 -4.645 1.00 0.00 C ATOM 371 CG2 ILE A 25 117.651 -8.302 -3.578 1.00 0.00 C ATOM 372 CD1 ILE A 25 115.181 -9.737 -4.304 1.00 0.00 C ATOM 0 H ILE A 25 118.695 -9.481 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 25 119.658 -10.050 -3.141 1.00 0.00 H new ATOM 0 HB ILE A 25 117.241 -10.182 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 25 116.879 -9.925 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 25 116.542 -11.370 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 25 116.667 -7.886 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.359 -7.978 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.984 -7.952 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.467 -10.060 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.871 -10.115 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.214 -8.648 -4.277 1.00 0.00 H new ATOM 384 N SER A 26 118.449 -12.568 -4.885 1.00 0.00 N ATOM 385 CA SER A 26 118.384 -14.057 -4.895 1.00 0.00 C ATOM 386 C SER A 26 118.968 -14.580 -6.208 1.00 0.00 C ATOM 387 O SER A 26 118.256 -14.854 -7.154 1.00 0.00 O ATOM 388 CB SER A 26 116.926 -14.507 -4.771 1.00 0.00 C ATOM 389 OG SER A 26 116.885 -15.918 -4.598 1.00 0.00 O ATOM 0 H SER A 26 118.115 -12.114 -5.735 1.00 0.00 H new ATOM 0 HA SER A 26 118.957 -14.452 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 26 116.451 -14.011 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 26 116.368 -14.222 -5.663 1.00 0.00 H new ATOM 0 HG SER A 26 115.953 -16.211 -4.517 1.00 0.00 H new ATOM 395 N ASN A 27 120.265 -14.727 -6.272 1.00 0.00 N ATOM 396 CA ASN A 27 120.901 -15.239 -7.520 1.00 0.00 C ATOM 397 C ASN A 27 120.910 -16.768 -7.495 1.00 0.00 C ATOM 398 O ASN A 27 121.417 -17.379 -6.576 1.00 0.00 O ATOM 399 CB ASN A 27 122.338 -14.721 -7.611 1.00 0.00 C ATOM 400 CG ASN A 27 122.805 -14.770 -9.067 1.00 0.00 C ATOM 401 OD1 ASN A 27 122.259 -15.502 -9.867 1.00 0.00 O ATOM 402 ND2 ASN A 27 123.800 -14.015 -9.446 1.00 0.00 N ATOM 0 H ASN A 27 120.912 -14.514 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 27 120.336 -14.892 -8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 27 122.393 -13.700 -7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 27 122.995 -15.327 -6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.119 -14.040 -10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 27 124.259 -13.400 -8.774 1.00 0.00 H new ATOM 409 N LYS A 28 120.350 -17.388 -8.498 1.00 0.00 N ATOM 410 CA LYS A 28 120.324 -18.880 -8.533 1.00 0.00 C ATOM 411 C LYS A 28 121.706 -19.408 -8.924 1.00 0.00 C ATOM 412 O LYS A 28 122.006 -20.574 -8.757 1.00 0.00 O ATOM 413 CB LYS A 28 119.291 -19.340 -9.565 1.00 0.00 C ATOM 414 CG LYS A 28 117.891 -18.886 -9.128 1.00 0.00 C ATOM 415 CD LYS A 28 117.505 -17.614 -9.887 1.00 0.00 C ATOM 416 CE LYS A 28 116.172 -17.087 -9.359 1.00 0.00 C ATOM 417 NZ LYS A 28 115.101 -18.088 -9.626 1.00 0.00 N ATOM 0 H LYS A 28 119.910 -16.927 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 28 120.057 -19.265 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 119.530 -18.925 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 28 119.318 -20.425 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 28 117.164 -19.674 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 28 117.876 -18.700 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 28 118.280 -16.857 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 28 117.428 -17.824 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 28 116.244 -16.892 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 115.927 -16.140 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 114.170 -17.641 -9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 115.192 -18.442 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 115.193 -18.881 -8.959 1.00 0.00 H new ATOM 431 N SER A 29 122.553 -18.558 -9.440 1.00 0.00 N ATOM 432 CA SER A 29 123.918 -19.008 -9.835 1.00 0.00 C ATOM 433 C SER A 29 124.882 -18.778 -8.667 1.00 0.00 C ATOM 434 O SER A 29 125.249 -19.699 -7.966 1.00 0.00 O ATOM 435 CB SER A 29 124.386 -18.211 -11.050 1.00 0.00 C ATOM 436 OG SER A 29 124.431 -16.830 -10.715 1.00 0.00 O ATOM 0 H SER A 29 122.358 -17.571 -9.605 1.00 0.00 H new ATOM 0 HA SER A 29 123.896 -20.068 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 29 125.371 -18.553 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 29 123.708 -18.372 -11.888 1.00 0.00 H new ATOM 0 HG SER A 29 123.520 -16.468 -10.695 1.00 0.00 H new ATOM 442 N SER A 30 125.291 -17.560 -8.462 1.00 0.00 N ATOM 443 CA SER A 30 126.231 -17.262 -7.342 1.00 0.00 C ATOM 444 C SER A 30 125.845 -18.091 -6.115 1.00 0.00 C ATOM 445 O SER A 30 124.704 -18.477 -5.948 1.00 0.00 O ATOM 446 CB SER A 30 126.153 -15.775 -6.994 1.00 0.00 C ATOM 447 OG SER A 30 127.202 -15.450 -6.092 1.00 0.00 O ATOM 0 H SER A 30 125.016 -16.753 -9.022 1.00 0.00 H new ATOM 0 HA SER A 30 127.247 -17.514 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 30 126.236 -15.173 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 30 125.187 -15.545 -6.545 1.00 0.00 H new ATOM 0 HG SER A 30 126.843 -15.384 -5.183 1.00 0.00 H new ATOM 453 N ASN A 31 126.788 -18.378 -5.257 1.00 0.00 N ATOM 454 CA ASN A 31 126.475 -19.191 -4.048 1.00 0.00 C ATOM 455 C ASN A 31 126.240 -18.267 -2.861 1.00 0.00 C ATOM 456 O ASN A 31 125.291 -18.437 -2.125 1.00 0.00 O ATOM 457 CB ASN A 31 127.646 -20.127 -3.742 1.00 0.00 C ATOM 458 CG ASN A 31 128.900 -19.301 -3.451 1.00 0.00 C ATOM 459 OD1 ASN A 31 129.012 -18.171 -3.881 1.00 0.00 O ATOM 460 ND2 ASN A 31 129.857 -19.821 -2.732 1.00 0.00 N ATOM 0 H ASN A 31 127.761 -18.084 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 31 125.578 -19.782 -4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 31 127.407 -20.757 -2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 31 127.824 -20.792 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 31 130.697 -19.278 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 31 129.765 -20.770 -2.370 1.00 0.00 H new ATOM 467 N ASN A 32 127.101 -17.300 -2.659 1.00 0.00 N ATOM 468 CA ASN A 32 126.929 -16.365 -1.507 1.00 0.00 C ATOM 469 C ASN A 32 125.438 -16.149 -1.228 1.00 0.00 C ATOM 470 O ASN A 32 124.809 -15.278 -1.788 1.00 0.00 O ATOM 471 CB ASN A 32 127.577 -15.020 -1.844 1.00 0.00 C ATOM 472 CG ASN A 32 126.839 -14.375 -3.019 1.00 0.00 C ATOM 473 OD1 ASN A 32 126.446 -15.052 -3.949 1.00 0.00 O ATOM 474 ND2 ASN A 32 126.622 -13.089 -3.011 1.00 0.00 N ATOM 0 H ASN A 32 127.917 -17.119 -3.244 1.00 0.00 H new ATOM 0 HA ASN A 32 127.403 -16.794 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 32 127.545 -14.362 -0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 32 128.628 -15.164 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 32 126.122 -12.651 -3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.952 -12.521 -2.231 1.00 0.00 H new ATOM 481 N GLN A 33 124.862 -16.960 -0.377 1.00 0.00 N ATOM 482 CA GLN A 33 123.411 -16.811 -0.070 1.00 0.00 C ATOM 483 C GLN A 33 123.196 -16.972 1.436 1.00 0.00 C ATOM 484 O GLN A 33 123.456 -18.014 2.003 1.00 0.00 O ATOM 485 CB GLN A 33 122.609 -17.868 -0.830 1.00 0.00 C ATOM 486 CG GLN A 33 122.974 -19.260 -0.312 1.00 0.00 C ATOM 487 CD GLN A 33 122.607 -20.306 -1.364 1.00 0.00 C ATOM 488 OE1 GLN A 33 122.871 -20.124 -2.536 1.00 0.00 O ATOM 489 NE2 GLN A 33 122.002 -21.402 -0.995 1.00 0.00 N ATOM 0 H GLN A 33 125.335 -17.717 0.117 1.00 0.00 H new ATOM 0 HA GLN A 33 123.071 -15.823 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 33 121.541 -17.690 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 33 122.818 -17.800 -1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 33 124.040 -19.310 -0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 33 122.445 -19.464 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 33 121.780 -21.556 -0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 33 121.751 -22.105 -1.690 1.00 0.00 H new ATOM 498 N GLN A 34 122.724 -15.947 2.092 1.00 0.00 N ATOM 499 CA GLN A 34 122.493 -16.048 3.560 1.00 0.00 C ATOM 500 C GLN A 34 121.698 -14.834 4.039 1.00 0.00 C ATOM 501 O GLN A 34 120.615 -14.958 4.573 1.00 0.00 O ATOM 502 CB GLN A 34 123.842 -16.103 4.283 1.00 0.00 C ATOM 503 CG GLN A 34 124.678 -14.881 3.901 1.00 0.00 C ATOM 504 CD GLN A 34 126.163 -15.200 4.087 1.00 0.00 C ATOM 505 OE1 GLN A 34 126.511 -16.157 4.749 1.00 0.00 O ATOM 506 NE2 GLN A 34 127.057 -14.437 3.521 1.00 0.00 N ATOM 0 H GLN A 34 122.489 -15.046 1.675 1.00 0.00 H new ATOM 0 HA GLN A 34 121.928 -16.954 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 34 123.687 -16.128 5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 34 124.372 -17.017 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 34 124.482 -14.602 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 34 124.398 -14.028 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 34 126.764 -13.634 2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 34 128.049 -14.644 3.634 1.00 0.00 H new ATOM 515 N ASP A 35 122.235 -13.658 3.856 1.00 0.00 N ATOM 516 CA ASP A 35 121.522 -12.433 4.308 1.00 0.00 C ATOM 517 C ASP A 35 121.927 -11.250 3.426 1.00 0.00 C ATOM 518 O ASP A 35 123.074 -10.844 3.406 1.00 0.00 O ATOM 519 CB ASP A 35 121.907 -12.127 5.759 1.00 0.00 C ATOM 520 CG ASP A 35 122.003 -13.429 6.556 1.00 0.00 C ATOM 521 OD1 ASP A 35 121.008 -14.125 6.643 1.00 0.00 O ATOM 522 OD2 ASP A 35 123.076 -13.712 7.060 1.00 0.00 O ATOM 0 H ASP A 35 123.139 -13.494 3.412 1.00 0.00 H new ATOM 0 HA ASP A 35 120.446 -12.594 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.861 -11.601 5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.165 -11.468 6.210 1.00 0.00 H new ATOM 527 N ILE A 36 120.999 -10.685 2.704 1.00 0.00 N ATOM 528 CA ILE A 36 121.344 -9.522 1.838 1.00 0.00 C ATOM 529 C ILE A 36 121.334 -8.260 2.697 1.00 0.00 C ATOM 530 O ILE A 36 120.367 -7.968 3.371 1.00 0.00 O ATOM 531 CB ILE A 36 120.311 -9.383 0.717 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.260 -10.683 -0.091 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.707 -8.226 -0.201 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.661 -11.029 -0.606 1.00 0.00 C ATOM 0 H ILE A 36 120.022 -10.976 2.676 1.00 0.00 H new ATOM 0 HA ILE A 36 122.329 -9.670 1.394 1.00 0.00 H new ATOM 0 HB ILE A 36 119.330 -9.184 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.881 -11.494 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.571 -10.575 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.972 -8.127 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.745 -7.301 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.688 -8.424 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.619 -11.955 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.024 -10.223 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.338 -11.156 0.239 1.00 0.00 H new ATOM 546 N VAL A 37 122.405 -7.513 2.694 1.00 0.00 N ATOM 547 CA VAL A 37 122.453 -6.278 3.530 1.00 0.00 C ATOM 548 C VAL A 37 122.710 -5.053 2.657 1.00 0.00 C ATOM 549 O VAL A 37 123.634 -5.022 1.867 1.00 0.00 O ATOM 550 CB VAL A 37 123.582 -6.406 4.554 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.810 -5.052 5.233 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.201 -7.445 5.611 1.00 0.00 C ATOM 0 H VAL A 37 123.247 -7.703 2.151 1.00 0.00 H new ATOM 0 HA VAL A 37 121.495 -6.159 4.037 1.00 0.00 H new ATOM 0 HB VAL A 37 124.495 -6.720 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.614 -5.142 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.082 -4.310 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.896 -4.739 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.007 -7.535 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.288 -7.132 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.037 -8.410 5.131 1.00 0.00 H new ATOM 562 N CYS A 38 121.919 -4.030 2.818 1.00 0.00 N ATOM 563 CA CYS A 38 122.140 -2.790 2.026 1.00 0.00 C ATOM 564 C CYS A 38 122.831 -1.765 2.922 1.00 0.00 C ATOM 565 O CYS A 38 122.209 -1.127 3.751 1.00 0.00 O ATOM 566 CB CYS A 38 120.799 -2.223 1.561 1.00 0.00 C ATOM 567 SG CYS A 38 120.130 -3.240 0.221 1.00 0.00 S ATOM 0 H CYS A 38 121.130 -3.999 3.463 1.00 0.00 H new ATOM 0 HA CYS A 38 122.754 -3.014 1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.097 -2.197 2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.927 -1.196 1.220 1.00 0.00 H new ATOM 572 N THR A 39 124.118 -1.598 2.776 1.00 0.00 N ATOM 573 CA THR A 39 124.838 -0.620 3.636 1.00 0.00 C ATOM 574 C THR A 39 124.931 0.726 2.917 1.00 0.00 C ATOM 575 O THR A 39 125.521 0.841 1.861 1.00 0.00 O ATOM 576 CB THR A 39 126.250 -1.140 3.928 1.00 0.00 C ATOM 577 OG1 THR A 39 126.164 -2.393 4.593 1.00 0.00 O ATOM 578 CG2 THR A 39 126.992 -0.139 4.817 1.00 0.00 C ATOM 0 H THR A 39 124.699 -2.095 2.101 1.00 0.00 H new ATOM 0 HA THR A 39 124.294 -0.493 4.572 1.00 0.00 H new ATOM 0 HB THR A 39 126.793 -1.262 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.066 -2.727 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.996 -0.510 5.024 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.058 0.822 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.451 -0.015 5.755 1.00 0.00 H new ATOM 586 N VAL A 40 124.365 1.749 3.496 1.00 0.00 N ATOM 587 CA VAL A 40 124.428 3.098 2.860 1.00 0.00 C ATOM 588 C VAL A 40 124.671 4.150 3.941 1.00 0.00 C ATOM 589 O VAL A 40 124.370 3.940 5.100 1.00 0.00 O ATOM 590 CB VAL A 40 123.106 3.389 2.144 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.951 2.448 0.948 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.941 3.171 3.114 1.00 0.00 C ATOM 0 H VAL A 40 123.861 1.710 4.382 1.00 0.00 H new ATOM 0 HA VAL A 40 125.241 3.125 2.135 1.00 0.00 H new ATOM 0 HB VAL A 40 123.105 4.422 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.009 2.657 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.779 2.601 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.954 1.415 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.000 3.378 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.946 2.138 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.047 3.842 3.967 1.00 0.00 H new ATOM 602 N LYS A 41 125.210 5.280 3.577 1.00 0.00 N ATOM 603 CA LYS A 41 125.466 6.341 4.593 1.00 0.00 C ATOM 604 C LYS A 41 124.346 7.379 4.542 1.00 0.00 C ATOM 605 O LYS A 41 123.977 7.857 3.488 1.00 0.00 O ATOM 606 CB LYS A 41 126.806 7.018 4.298 1.00 0.00 C ATOM 607 CG LYS A 41 127.940 5.998 4.458 1.00 0.00 C ATOM 608 CD LYS A 41 128.220 5.329 3.110 1.00 0.00 C ATOM 609 CE LYS A 41 129.391 4.360 3.256 1.00 0.00 C ATOM 610 NZ LYS A 41 129.663 3.710 1.944 1.00 0.00 N ATOM 0 H LYS A 41 125.484 5.515 2.623 1.00 0.00 H new ATOM 0 HA LYS A 41 125.498 5.892 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.806 7.422 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.959 7.857 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 41 128.840 6.493 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.666 5.247 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 41 127.334 4.796 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 41 128.450 6.084 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 41 130.277 4.893 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.161 3.605 4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 130.460 3.050 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 128.818 3.189 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 129.900 4.437 1.239 1.00 0.00 H new ATOM 624 N ALA A 42 123.799 7.728 5.672 1.00 0.00 N ATOM 625 CA ALA A 42 122.697 8.731 5.688 1.00 0.00 C ATOM 626 C ALA A 42 123.243 10.083 6.142 1.00 0.00 C ATOM 627 O ALA A 42 124.212 10.157 6.871 1.00 0.00 O ATOM 628 CB ALA A 42 121.607 8.269 6.658 1.00 0.00 C ATOM 0 H ALA A 42 124.067 7.362 6.586 1.00 0.00 H new ATOM 0 HA ALA A 42 122.278 8.829 4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.799 9.000 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.217 7.304 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.028 8.173 7.659 1.00 0.00 H new ATOM 634 N HIS A 43 122.629 11.156 5.715 1.00 0.00 N ATOM 635 CA HIS A 43 123.115 12.509 6.121 1.00 0.00 C ATOM 636 C HIS A 43 121.972 13.286 6.784 1.00 0.00 C ATOM 637 O HIS A 43 120.809 13.043 6.528 1.00 0.00 O ATOM 638 CB HIS A 43 123.599 13.268 4.884 1.00 0.00 C ATOM 639 CG HIS A 43 124.517 14.380 5.307 1.00 0.00 C ATOM 640 ND1 HIS A 43 124.043 15.571 5.840 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.885 14.500 5.279 1.00 0.00 C ATOM 642 CE1 HIS A 43 125.109 16.347 6.109 1.00 0.00 C ATOM 643 NE2 HIS A 43 126.252 15.740 5.786 1.00 0.00 N ATOM 0 H HIS A 43 121.813 11.154 5.103 1.00 0.00 H new ATOM 0 HA HIS A 43 123.938 12.403 6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.119 12.589 4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.748 13.673 4.336 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.570 13.747 4.918 1.00 0.00 H new ATOM 0 HE1 HIS A 43 125.047 17.338 6.534 1.00 0.00 H new ATOM 0 HE2 HIS A 43 127.197 16.109 5.890 1.00 0.00 H new ATOM 652 N ALA A 44 122.299 14.211 7.643 1.00 0.00 N ATOM 653 CA ALA A 44 121.241 15.002 8.337 1.00 0.00 C ATOM 654 C ALA A 44 120.333 15.673 7.302 1.00 0.00 C ATOM 655 O ALA A 44 119.184 15.965 7.567 1.00 0.00 O ATOM 656 CB ALA A 44 121.902 16.074 9.208 1.00 0.00 C ATOM 0 H ALA A 44 123.257 14.455 7.896 1.00 0.00 H new ATOM 0 HA ALA A 44 120.643 14.338 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.133 16.655 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.545 15.597 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.500 16.735 8.580 1.00 0.00 H new ATOM 662 N ASN A 45 120.839 15.924 6.128 1.00 0.00 N ATOM 663 CA ASN A 45 120.002 16.578 5.081 1.00 0.00 C ATOM 664 C ASN A 45 119.418 15.512 4.150 1.00 0.00 C ATOM 665 O ASN A 45 118.408 15.721 3.508 1.00 0.00 O ATOM 666 CB ASN A 45 120.869 17.540 4.264 1.00 0.00 C ATOM 667 CG ASN A 45 119.973 18.442 3.413 1.00 0.00 C ATOM 668 OD1 ASN A 45 118.905 18.835 3.841 1.00 0.00 O ATOM 669 ND2 ASN A 45 120.366 18.794 2.219 1.00 0.00 N ATOM 0 H ASN A 45 121.795 15.705 5.847 1.00 0.00 H new ATOM 0 HA ASN A 45 119.191 17.128 5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.484 18.145 4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.549 16.978 3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.777 19.398 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.262 18.465 1.859 1.00 0.00 H new ATOM 676 N ASP A 46 120.051 14.375 4.072 1.00 0.00 N ATOM 677 CA ASP A 46 119.542 13.297 3.179 1.00 0.00 C ATOM 678 C ASP A 46 118.372 12.573 3.849 1.00 0.00 C ATOM 679 O ASP A 46 118.418 12.248 5.019 1.00 0.00 O ATOM 680 CB ASP A 46 120.667 12.295 2.909 1.00 0.00 C ATOM 681 CG ASP A 46 121.621 12.864 1.856 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.231 13.793 1.169 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.728 12.361 1.755 1.00 0.00 O ATOM 0 H ASP A 46 120.900 14.145 4.589 1.00 0.00 H new ATOM 0 HA ASP A 46 119.202 13.737 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.210 12.086 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.250 11.349 2.563 1.00 0.00 H new ATOM 688 N LEU A 47 117.330 12.296 3.110 1.00 0.00 N ATOM 689 CA LEU A 47 116.169 11.571 3.703 1.00 0.00 C ATOM 690 C LEU A 47 116.509 10.085 3.781 1.00 0.00 C ATOM 691 O LEU A 47 117.268 9.576 2.977 1.00 0.00 O ATOM 692 CB LEU A 47 114.930 11.765 2.824 1.00 0.00 C ATOM 693 CG LEU A 47 114.545 13.246 2.788 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.338 13.432 1.866 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.183 13.718 4.199 1.00 0.00 C ATOM 0 H LEU A 47 117.233 12.540 2.124 1.00 0.00 H new ATOM 0 HA LEU A 47 115.961 11.962 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.130 11.407 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.101 11.174 3.213 1.00 0.00 H new ATOM 0 HG LEU A 47 115.386 13.831 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.061 14.486 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.593 13.097 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.499 12.846 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.909 14.773 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.342 13.135 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.040 13.583 4.859 1.00 0.00 H new ATOM 707 N ILE A 48 115.965 9.377 4.738 1.00 0.00 N ATOM 708 CA ILE A 48 116.275 7.919 4.849 1.00 0.00 C ATOM 709 C ILE A 48 114.983 7.097 4.762 1.00 0.00 C ATOM 710 O ILE A 48 113.946 7.490 5.258 1.00 0.00 O ATOM 711 CB ILE A 48 116.953 7.654 6.195 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.013 8.060 7.337 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.245 8.465 6.291 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.660 7.717 8.681 1.00 0.00 C ATOM 0 H ILE A 48 115.324 9.742 5.443 1.00 0.00 H new ATOM 0 HA ILE A 48 116.936 7.629 4.033 1.00 0.00 H new ATOM 0 HB ILE A 48 117.184 6.592 6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.802 9.128 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 48 115.059 7.542 7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.724 8.273 7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.918 8.174 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.015 9.527 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.991 8.006 9.491 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.848 6.645 8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.602 8.256 8.779 1.00 0.00 H new ATOM 726 N GLY A 49 115.051 5.956 4.136 1.00 0.00 N ATOM 727 CA GLY A 49 113.838 5.096 4.010 1.00 0.00 C ATOM 728 C GLY A 49 114.181 3.855 3.182 1.00 0.00 C ATOM 729 O GLY A 49 115.323 3.619 2.851 1.00 0.00 O ATOM 0 H GLY A 49 115.895 5.580 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.483 4.802 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.031 5.653 3.534 1.00 0.00 H new ATOM 733 N PHE A 50 113.204 3.057 2.844 1.00 0.00 N ATOM 734 CA PHE A 50 113.488 1.838 2.031 1.00 0.00 C ATOM 735 C PHE A 50 112.171 1.206 1.570 1.00 0.00 C ATOM 736 O PHE A 50 111.101 1.579 2.013 1.00 0.00 O ATOM 737 CB PHE A 50 114.282 0.831 2.863 1.00 0.00 C ATOM 738 CG PHE A 50 113.427 0.321 3.996 1.00 0.00 C ATOM 739 CD1 PHE A 50 112.629 -0.814 3.811 1.00 0.00 C ATOM 740 CD2 PHE A 50 113.433 0.980 5.230 1.00 0.00 C ATOM 741 CE1 PHE A 50 111.838 -1.292 4.863 1.00 0.00 C ATOM 742 CE2 PHE A 50 112.642 0.503 6.281 1.00 0.00 C ATOM 743 CZ PHE A 50 111.844 -0.634 6.098 1.00 0.00 C ATOM 0 H PHE A 50 112.225 3.195 3.094 1.00 0.00 H new ATOM 0 HA PHE A 50 114.076 2.120 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.604 0.000 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.183 1.301 3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 50 112.623 -1.321 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 50 114.048 1.857 5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 50 111.223 -2.169 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 50 112.647 1.012 7.234 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.234 -1.002 6.910 1.00 0.00 H new ATOM 753 N LYS A 51 112.242 0.249 0.682 1.00 0.00 N ATOM 754 CA LYS A 51 110.993 -0.406 0.191 1.00 0.00 C ATOM 755 C LYS A 51 111.256 -1.889 -0.077 1.00 0.00 C ATOM 756 O LYS A 51 112.320 -2.272 -0.527 1.00 0.00 O ATOM 757 CB LYS A 51 110.537 0.276 -1.098 1.00 0.00 C ATOM 758 CG LYS A 51 109.273 -0.406 -1.623 1.00 0.00 C ATOM 759 CD LYS A 51 108.788 0.321 -2.879 1.00 0.00 C ATOM 760 CE LYS A 51 107.504 -0.337 -3.390 1.00 0.00 C ATOM 761 NZ LYS A 51 107.782 -1.758 -3.747 1.00 0.00 N ATOM 0 H LYS A 51 113.108 -0.107 0.277 1.00 0.00 H new ATOM 0 HA LYS A 51 110.214 -0.313 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.342 1.332 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.327 0.225 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.479 -1.452 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.496 -0.393 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.606 1.372 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.557 0.288 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 51 106.728 -0.288 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.128 0.201 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.025 -2.115 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.693 -1.819 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.822 -2.332 -2.881 1.00 0.00 H new ATOM 775 N CYS A 52 110.290 -2.730 0.191 1.00 0.00 N ATOM 776 CA CYS A 52 110.458 -4.192 -0.050 1.00 0.00 C ATOM 777 C CYS A 52 109.336 -4.662 -0.987 1.00 0.00 C ATOM 778 O CYS A 52 108.262 -4.093 -1.000 1.00 0.00 O ATOM 779 CB CYS A 52 110.355 -4.936 1.286 1.00 0.00 C ATOM 780 SG CYS A 52 111.779 -4.527 2.327 1.00 0.00 S ATOM 0 H CYS A 52 109.382 -2.461 0.571 1.00 0.00 H new ATOM 0 HA CYS A 52 111.429 -4.394 -0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.431 -4.663 1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.317 -6.011 1.112 1.00 0.00 H new ATOM 785 N PRO A 53 109.567 -5.694 -1.760 1.00 0.00 N ATOM 786 CA PRO A 53 108.542 -6.231 -2.704 1.00 0.00 C ATOM 787 C PRO A 53 107.201 -6.496 -2.005 1.00 0.00 C ATOM 788 O PRO A 53 107.153 -6.884 -0.858 1.00 0.00 O ATOM 789 CB PRO A 53 109.156 -7.542 -3.230 1.00 0.00 C ATOM 790 CG PRO A 53 110.355 -7.809 -2.374 1.00 0.00 C ATOM 791 CD PRO A 53 110.814 -6.461 -1.833 1.00 0.00 C ATOM 0 HA PRO A 53 108.316 -5.522 -3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.440 -8.362 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.438 -7.447 -4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.105 -8.489 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.147 -8.284 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.286 -6.558 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.541 -5.988 -2.493 1.00 0.00 H new ATOM 799 N SER A 54 106.117 -6.269 -2.694 1.00 0.00 N ATOM 800 CA SER A 54 104.773 -6.481 -2.083 1.00 0.00 C ATOM 801 C SER A 54 104.541 -7.969 -1.797 1.00 0.00 C ATOM 802 O SER A 54 103.622 -8.333 -1.090 1.00 0.00 O ATOM 803 CB SER A 54 103.698 -5.981 -3.045 1.00 0.00 C ATOM 804 OG SER A 54 102.433 -6.016 -2.397 1.00 0.00 O ATOM 0 H SER A 54 106.104 -5.944 -3.661 1.00 0.00 H new ATOM 0 HA SER A 54 104.723 -5.930 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.926 -4.965 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.678 -6.602 -3.940 1.00 0.00 H new ATOM 0 HG SER A 54 102.407 -6.770 -1.771 1.00 0.00 H new ATOM 810 N ASN A 55 105.349 -8.833 -2.342 1.00 0.00 N ATOM 811 CA ASN A 55 105.145 -10.292 -2.100 1.00 0.00 C ATOM 812 C ASN A 55 105.927 -10.736 -0.859 1.00 0.00 C ATOM 813 O ASN A 55 105.900 -11.886 -0.486 1.00 0.00 O ATOM 814 CB ASN A 55 105.648 -11.080 -3.313 1.00 0.00 C ATOM 815 CG ASN A 55 104.836 -10.690 -4.549 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.622 -10.713 -4.525 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.460 -10.331 -5.636 1.00 0.00 N ATOM 0 H ASN A 55 106.139 -8.596 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 55 104.083 -10.480 -1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.705 -10.875 -3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.557 -12.150 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.929 -10.069 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.480 -10.312 -5.656 1.00 0.00 H new ATOM 824 N TYR A 56 106.612 -9.830 -0.214 1.00 0.00 N ATOM 825 CA TYR A 56 107.391 -10.198 1.007 1.00 0.00 C ATOM 826 C TYR A 56 106.751 -9.574 2.250 1.00 0.00 C ATOM 827 O TYR A 56 105.924 -8.689 2.159 1.00 0.00 O ATOM 828 CB TYR A 56 108.826 -9.711 0.852 1.00 0.00 C ATOM 829 CG TYR A 56 109.600 -10.692 0.002 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.304 -10.833 -1.358 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.625 -11.454 0.578 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.031 -11.736 -2.143 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.352 -12.357 -0.207 1.00 0.00 C ATOM 834 CZ TYR A 56 111.053 -12.499 -1.567 1.00 0.00 C ATOM 835 OH TYR A 56 111.768 -13.390 -2.341 1.00 0.00 O ATOM 0 H TYR A 56 106.667 -8.847 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 56 107.388 -11.281 1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.839 -8.724 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.296 -9.611 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.515 -10.245 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.854 -11.345 1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.803 -11.844 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.143 -12.944 0.237 1.00 0.00 H new ATOM 0 HH TYR A 56 112.441 -13.838 -1.787 1.00 0.00 H new ATOM 845 N SER A 57 107.138 -10.029 3.416 1.00 0.00 N ATOM 846 CA SER A 57 106.564 -9.457 4.668 1.00 0.00 C ATOM 847 C SER A 57 107.575 -8.491 5.293 1.00 0.00 C ATOM 848 O SER A 57 108.764 -8.741 5.296 1.00 0.00 O ATOM 849 CB SER A 57 106.265 -10.588 5.651 1.00 0.00 C ATOM 850 OG SER A 57 105.047 -11.221 5.281 1.00 0.00 O ATOM 0 H SER A 57 107.825 -10.770 3.553 1.00 0.00 H new ATOM 0 HA SER A 57 105.643 -8.922 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.080 -11.312 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 57 106.191 -10.194 6.665 1.00 0.00 H new ATOM 0 HG SER A 57 104.853 -11.948 5.908 1.00 0.00 H new ATOM 856 N VAL A 58 107.118 -7.386 5.821 1.00 0.00 N ATOM 857 CA VAL A 58 108.070 -6.416 6.434 1.00 0.00 C ATOM 858 C VAL A 58 108.134 -6.618 7.951 1.00 0.00 C ATOM 859 O VAL A 58 107.160 -6.457 8.660 1.00 0.00 O ATOM 860 CB VAL A 58 107.618 -4.985 6.123 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.197 -4.889 4.657 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.433 -4.609 7.017 1.00 0.00 C ATOM 0 H VAL A 58 106.135 -7.115 5.854 1.00 0.00 H new ATOM 0 HA VAL A 58 109.062 -6.584 6.015 1.00 0.00 H new ATOM 0 HB VAL A 58 108.444 -4.300 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.876 -3.871 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.041 -5.149 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.374 -5.578 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.116 -3.591 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.607 -5.296 6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.732 -4.673 8.063 1.00 0.00 H new ATOM 872 N GLU A 59 109.292 -6.956 8.450 1.00 0.00 N ATOM 873 CA GLU A 59 109.466 -7.160 9.915 1.00 0.00 C ATOM 874 C GLU A 59 110.611 -6.257 10.386 1.00 0.00 C ATOM 875 O GLU A 59 111.692 -6.298 9.830 1.00 0.00 O ATOM 876 CB GLU A 59 109.836 -8.620 10.197 1.00 0.00 C ATOM 877 CG GLU A 59 108.577 -9.491 10.195 1.00 0.00 C ATOM 878 CD GLU A 59 107.752 -9.205 8.941 1.00 0.00 C ATOM 879 OE1 GLU A 59 108.333 -9.182 7.868 1.00 0.00 O ATOM 880 OE2 GLU A 59 106.555 -9.013 9.073 1.00 0.00 O ATOM 0 H GLU A 59 110.136 -7.101 7.896 1.00 0.00 H new ATOM 0 HA GLU A 59 108.540 -6.919 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.537 -8.978 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.339 -8.696 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.853 -10.545 10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.983 -9.289 11.086 1.00 0.00 H new ATOM 887 N PRO A 60 110.395 -5.442 11.387 1.00 0.00 N ATOM 888 CA PRO A 60 111.453 -4.530 11.892 1.00 0.00 C ATOM 889 C PRO A 60 112.467 -5.257 12.775 1.00 0.00 C ATOM 890 O PRO A 60 112.147 -5.714 13.849 1.00 0.00 O ATOM 891 CB PRO A 60 110.670 -3.509 12.718 1.00 0.00 C ATOM 892 CG PRO A 60 109.475 -4.252 13.213 1.00 0.00 C ATOM 893 CD PRO A 60 109.138 -5.292 12.144 1.00 0.00 C ATOM 0 HA PRO A 60 112.037 -4.091 11.083 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.269 -3.127 13.545 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.379 -2.651 12.113 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.685 -4.732 14.169 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.636 -3.575 13.374 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.825 -6.236 12.590 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.323 -4.956 11.503 1.00 0.00 H new ATOM 901 N HIS A 61 113.692 -5.346 12.338 1.00 0.00 N ATOM 902 CA HIS A 61 114.728 -6.021 13.166 1.00 0.00 C ATOM 903 C HIS A 61 115.440 -4.956 13.998 1.00 0.00 C ATOM 904 O HIS A 61 115.990 -5.227 15.046 1.00 0.00 O ATOM 905 CB HIS A 61 115.732 -6.737 12.261 1.00 0.00 C ATOM 906 CG HIS A 61 116.456 -7.791 13.053 1.00 0.00 C ATOM 907 ND1 HIS A 61 116.304 -7.917 14.427 1.00 0.00 N ATOM 908 CD2 HIS A 61 117.339 -8.775 12.680 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.077 -8.945 14.828 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.726 -9.499 13.803 1.00 0.00 N ATOM 0 H HIS A 61 114.020 -4.981 11.444 1.00 0.00 H new ATOM 0 HA HIS A 61 114.266 -6.761 13.820 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.216 -7.192 11.416 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.444 -6.021 11.852 1.00 0.00 H new ATOM 0 HD1 HIS A 61 115.715 -7.337 15.024 1.00 0.00 H new ATOM 0 HD2 HIS A 61 117.680 -8.958 11.672 1.00 0.00 H new ATOM 0 HE1 HIS A 61 117.161 -9.279 15.852 1.00 0.00 H new ATOM 919 N ASP A 62 115.416 -3.739 13.530 1.00 0.00 N ATOM 920 CA ASP A 62 116.068 -2.623 14.266 1.00 0.00 C ATOM 921 C ASP A 62 115.677 -1.306 13.592 1.00 0.00 C ATOM 922 O ASP A 62 116.480 -0.412 13.436 1.00 0.00 O ATOM 923 CB ASP A 62 117.588 -2.796 14.230 1.00 0.00 C ATOM 924 CG ASP A 62 118.250 -1.685 15.049 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.541 -0.787 15.470 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.453 -1.754 15.241 1.00 0.00 O ATOM 0 H ASP A 62 114.965 -3.468 12.656 1.00 0.00 H new ATOM 0 HA ASP A 62 115.743 -2.620 15.306 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.863 -3.771 14.632 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.944 -2.764 13.200 1.00 0.00 H new ATOM 931 N CYS A 63 114.438 -1.194 13.185 1.00 0.00 N ATOM 932 CA CYS A 63 113.973 0.051 12.509 1.00 0.00 C ATOM 933 C CYS A 63 114.057 1.233 13.479 1.00 0.00 C ATOM 934 O CYS A 63 114.876 1.243 14.377 1.00 0.00 O ATOM 935 CB CYS A 63 112.530 -0.138 12.034 1.00 0.00 C ATOM 936 SG CYS A 63 112.481 -1.432 10.767 1.00 0.00 S ATOM 0 H CYS A 63 113.726 -1.916 13.293 1.00 0.00 H new ATOM 0 HA CYS A 63 114.611 0.258 11.649 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.891 -0.411 12.874 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.143 0.797 11.630 1.00 0.00 H new ATOM 941 N PHE A 64 113.235 2.241 13.299 1.00 0.00 N ATOM 942 CA PHE A 64 113.301 3.425 14.212 1.00 0.00 C ATOM 943 C PHE A 64 112.062 3.499 15.119 1.00 0.00 C ATOM 944 O PHE A 64 112.182 3.501 16.329 1.00 0.00 O ATOM 945 CB PHE A 64 113.419 4.706 13.382 1.00 0.00 C ATOM 946 CG PHE A 64 112.473 4.651 12.209 1.00 0.00 C ATOM 947 CD1 PHE A 64 112.788 3.870 11.090 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.282 5.386 12.237 1.00 0.00 C ATOM 949 CE1 PHE A 64 111.911 3.824 9.999 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.407 5.341 11.145 1.00 0.00 C ATOM 951 CZ PHE A 64 110.720 4.560 10.028 1.00 0.00 C ATOM 0 H PHE A 64 112.528 2.294 12.566 1.00 0.00 H new ATOM 0 HA PHE A 64 114.178 3.319 14.850 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.192 5.573 14.002 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.443 4.827 13.028 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.707 3.303 11.068 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.038 5.987 13.100 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.153 3.221 9.136 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.489 5.910 11.165 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.043 4.524 9.187 1.00 0.00 H new ATOM 961 N VAL A 65 110.876 3.569 14.567 1.00 0.00 N ATOM 962 CA VAL A 65 109.668 3.654 15.447 1.00 0.00 C ATOM 963 C VAL A 65 109.797 2.615 16.564 1.00 0.00 C ATOM 964 O VAL A 65 110.020 2.945 17.712 1.00 0.00 O ATOM 965 CB VAL A 65 108.398 3.375 14.634 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.236 3.088 15.588 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.057 4.598 13.779 1.00 0.00 C ATOM 0 H VAL A 65 110.692 3.571 13.564 1.00 0.00 H new ATOM 0 HA VAL A 65 109.599 4.656 15.871 1.00 0.00 H new ATOM 0 HB VAL A 65 108.565 2.513 13.988 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.332 2.890 15.012 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.474 2.218 16.200 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.073 3.952 16.233 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.154 4.398 13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.891 5.459 14.426 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.883 4.809 13.100 1.00 0.00 H new ATOM 977 N SER A 66 109.675 1.362 16.228 1.00 0.00 N ATOM 978 CA SER A 66 109.808 0.290 17.254 1.00 0.00 C ATOM 979 C SER A 66 110.533 -0.893 16.614 1.00 0.00 C ATOM 980 O SER A 66 110.204 -1.308 15.520 1.00 0.00 O ATOM 981 CB SER A 66 108.423 -0.147 17.733 1.00 0.00 C ATOM 982 OG SER A 66 108.566 -1.177 18.704 1.00 0.00 O ATOM 0 H SER A 66 109.488 1.032 15.281 1.00 0.00 H new ATOM 0 HA SER A 66 110.370 0.658 18.112 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.889 0.701 18.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.830 -0.505 16.891 1.00 0.00 H new ATOM 0 HG SER A 66 107.680 -1.459 19.015 1.00 0.00 H new ATOM 988 N ALA A 67 111.523 -1.437 17.268 1.00 0.00 N ATOM 989 CA ALA A 67 112.256 -2.580 16.654 1.00 0.00 C ATOM 990 C ALA A 67 113.234 -3.192 17.663 1.00 0.00 C ATOM 991 O ALA A 67 113.340 -2.750 18.789 1.00 0.00 O ATOM 992 CB ALA A 67 113.040 -2.075 15.443 1.00 0.00 C ATOM 0 H ALA A 67 111.852 -1.145 18.188 1.00 0.00 H new ATOM 0 HA ALA A 67 111.537 -3.341 16.351 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.580 -2.905 14.987 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.350 -1.647 14.715 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.750 -1.312 15.762 1.00 0.00 H new ATOM 998 N PHE A 68 113.940 -4.213 17.258 1.00 0.00 N ATOM 999 CA PHE A 68 114.908 -4.871 18.179 1.00 0.00 C ATOM 1000 C PHE A 68 116.289 -4.248 17.959 1.00 0.00 C ATOM 1001 O PHE A 68 116.676 -3.960 16.847 1.00 0.00 O ATOM 1002 CB PHE A 68 114.974 -6.370 17.871 1.00 0.00 C ATOM 1003 CG PHE A 68 113.578 -6.923 17.686 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.868 -6.644 16.511 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.998 -7.724 18.678 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.580 -7.164 16.327 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.709 -8.242 18.495 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.002 -7.961 17.318 1.00 0.00 C ATOM 0 H PHE A 68 113.887 -4.621 16.325 1.00 0.00 H new ATOM 0 HA PHE A 68 114.591 -4.732 19.213 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.563 -6.539 16.970 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.477 -6.895 18.683 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.314 -6.027 15.745 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.544 -7.942 19.584 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.035 -6.949 15.420 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.260 -8.858 19.261 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.009 -8.361 17.177 1.00 0.00 H new ATOM 1018 N ASN A 69 117.035 -4.030 19.004 1.00 0.00 N ATOM 1019 CA ASN A 69 118.385 -3.418 18.837 1.00 0.00 C ATOM 1020 C ASN A 69 119.393 -4.488 18.412 1.00 0.00 C ATOM 1021 O ASN A 69 119.034 -5.605 18.106 1.00 0.00 O ATOM 1022 CB ASN A 69 118.832 -2.796 20.162 1.00 0.00 C ATOM 1023 CG ASN A 69 118.021 -1.528 20.430 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.411 -0.982 19.532 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.988 -1.032 21.636 1.00 0.00 N ATOM 0 H ASN A 69 116.771 -4.248 19.965 1.00 0.00 H new ATOM 0 HA ASN A 69 118.335 -2.646 18.069 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.693 -3.508 20.975 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.895 -2.559 20.124 1.00 0.00 H new ATOM 0 HD21 ASN A 69 117.450 -0.186 21.825 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.500 -1.490 22.390 1.00 0.00 H new ATOM 1032 N LEU A 70 120.653 -4.152 18.396 1.00 0.00 N ATOM 1033 CA LEU A 70 121.685 -5.148 17.995 1.00 0.00 C ATOM 1034 C LEU A 70 121.730 -6.268 19.033 1.00 0.00 C ATOM 1035 O LEU A 70 122.268 -7.332 18.793 1.00 0.00 O ATOM 1036 CB LEU A 70 123.054 -4.462 17.913 1.00 0.00 C ATOM 1037 CG LEU A 70 123.120 -3.594 16.652 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.257 -2.579 16.788 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.385 -4.483 15.429 1.00 0.00 C ATOM 0 H LEU A 70 121.013 -3.230 18.643 1.00 0.00 H new ATOM 0 HA LEU A 70 121.435 -5.565 17.020 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.218 -3.848 18.798 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.846 -5.210 17.893 1.00 0.00 H new ATOM 0 HG LEU A 70 122.172 -3.070 16.527 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.303 -1.962 15.891 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.076 -1.944 17.656 1.00 0.00 H new ATOM 0 HD13 LEU A 70 125.202 -3.106 16.915 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.432 -3.864 14.533 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.332 -5.007 15.558 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.580 -5.210 15.326 1.00 0.00 H new ATOM 1051 N SER A 71 121.158 -6.041 20.185 1.00 0.00 N ATOM 1052 CA SER A 71 121.149 -7.095 21.235 1.00 0.00 C ATOM 1053 C SER A 71 119.943 -8.007 21.010 1.00 0.00 C ATOM 1054 O SER A 71 119.784 -9.022 21.662 1.00 0.00 O ATOM 1055 CB SER A 71 121.042 -6.442 22.614 1.00 0.00 C ATOM 1056 OG SER A 71 121.131 -7.446 23.617 1.00 0.00 O ATOM 0 H SER A 71 120.696 -5.169 20.443 1.00 0.00 H new ATOM 0 HA SER A 71 122.069 -7.676 21.183 1.00 0.00 H new ATOM 0 HB2 SER A 71 121.838 -5.709 22.745 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.097 -5.906 22.703 1.00 0.00 H new ATOM 0 HG SER A 71 121.903 -7.265 24.193 1.00 0.00 H new ATOM 1062 N GLY A 72 119.090 -7.648 20.089 1.00 0.00 N ATOM 1063 CA GLY A 72 117.890 -8.482 19.810 1.00 0.00 C ATOM 1064 C GLY A 72 116.810 -8.185 20.850 1.00 0.00 C ATOM 1065 O GLY A 72 115.905 -8.969 21.061 1.00 0.00 O ATOM 0 H GLY A 72 119.175 -6.808 19.516 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.513 -8.273 18.809 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.154 -9.539 19.836 1.00 0.00 H new ATOM 1069 N LYS A 73 116.896 -7.057 21.504 1.00 0.00 N ATOM 1070 CA LYS A 73 115.873 -6.704 22.532 1.00 0.00 C ATOM 1071 C LYS A 73 114.972 -5.593 21.981 1.00 0.00 C ATOM 1072 O LYS A 73 115.430 -4.682 21.323 1.00 0.00 O ATOM 1073 CB LYS A 73 116.577 -6.215 23.801 1.00 0.00 C ATOM 1074 CG LYS A 73 117.375 -7.365 24.421 1.00 0.00 C ATOM 1075 CD LYS A 73 118.083 -6.876 25.688 1.00 0.00 C ATOM 1076 CE LYS A 73 118.826 -8.042 26.343 1.00 0.00 C ATOM 1077 NZ LYS A 73 119.878 -8.547 25.416 1.00 0.00 N ATOM 0 H LYS A 73 117.632 -6.363 21.370 1.00 0.00 H new ATOM 0 HA LYS A 73 115.269 -7.579 22.770 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.242 -5.384 23.563 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.843 -5.842 24.515 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.710 -8.194 24.661 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.107 -7.740 23.705 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.783 -6.078 25.441 1.00 0.00 H new ATOM 0 HD3 LYS A 73 117.356 -6.457 26.384 1.00 0.00 H new ATOM 0 HE2 LYS A 73 119.278 -7.718 27.280 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.126 -8.842 26.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 120.724 -8.809 25.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 119.521 -9.381 24.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 120.124 -7.803 24.732 1.00 0.00 H new ATOM 1091 N ASN A 74 113.693 -5.660 22.245 1.00 0.00 N ATOM 1092 CA ASN A 74 112.767 -4.607 21.730 1.00 0.00 C ATOM 1093 C ASN A 74 113.122 -3.251 22.349 1.00 0.00 C ATOM 1094 O ASN A 74 113.344 -3.139 23.539 1.00 0.00 O ATOM 1095 CB ASN A 74 111.326 -4.972 22.090 1.00 0.00 C ATOM 1096 CG ASN A 74 110.372 -3.961 21.453 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.785 -2.894 21.042 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.104 -4.253 21.348 1.00 0.00 N ATOM 0 H ASN A 74 113.250 -6.397 22.794 1.00 0.00 H new ATOM 0 HA ASN A 74 112.867 -4.542 20.646 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.095 -5.978 21.739 1.00 0.00 H new ATOM 0 HB3 ASN A 74 111.200 -4.976 23.173 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.461 -3.586 20.921 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.757 -5.148 21.693 1.00 0.00 H new ATOM 1105 N GLU A 75 113.183 -2.220 21.546 1.00 0.00 N ATOM 1106 CA GLU A 75 113.528 -0.869 22.080 1.00 0.00 C ATOM 1107 C GLU A 75 112.930 0.209 21.167 1.00 0.00 C ATOM 1108 O GLU A 75 112.555 -0.055 20.041 1.00 0.00 O ATOM 1109 CB GLU A 75 115.051 -0.716 22.125 1.00 0.00 C ATOM 1110 CG GLU A 75 115.426 0.437 23.060 1.00 0.00 C ATOM 1111 CD GLU A 75 115.065 0.066 24.500 1.00 0.00 C ATOM 1112 OE1 GLU A 75 114.927 -1.117 24.769 1.00 0.00 O ATOM 1113 OE2 GLU A 75 114.931 0.969 25.308 1.00 0.00 O ATOM 0 H GLU A 75 113.008 -2.256 20.542 1.00 0.00 H new ATOM 0 HA GLU A 75 113.121 -0.758 23.085 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.509 -1.642 22.472 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.437 -0.525 21.124 1.00 0.00 H new ATOM 0 HG2 GLU A 75 116.493 0.648 22.984 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.900 1.345 22.764 1.00 0.00 H new ATOM 1120 N ASN A 76 112.850 1.425 21.641 1.00 0.00 N ATOM 1121 CA ASN A 76 112.290 2.527 20.802 1.00 0.00 C ATOM 1122 C ASN A 76 113.424 3.455 20.352 1.00 0.00 C ATOM 1123 O ASN A 76 114.319 3.769 21.111 1.00 0.00 O ATOM 1124 CB ASN A 76 111.264 3.317 21.619 1.00 0.00 C ATOM 1125 CG ASN A 76 109.921 2.585 21.602 1.00 0.00 C ATOM 1126 OD1 ASN A 76 109.827 1.451 22.031 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.865 3.189 21.124 1.00 0.00 N ATOM 0 H ASN A 76 113.149 1.703 22.576 1.00 0.00 H new ATOM 0 HA ASN A 76 111.802 2.106 19.923 1.00 0.00 H new ATOM 0 HB2 ASN A 76 111.613 3.434 22.645 1.00 0.00 H new ATOM 0 HB3 ASN A 76 111.149 4.319 21.206 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.965 2.709 21.111 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.941 4.140 20.764 1.00 0.00 H new ATOM 1134 N LEU A 77 113.399 3.893 19.119 1.00 0.00 N ATOM 1135 CA LEU A 77 114.478 4.798 18.620 1.00 0.00 C ATOM 1136 C LEU A 77 114.015 6.256 18.707 1.00 0.00 C ATOM 1137 O LEU A 77 114.808 7.174 18.622 1.00 0.00 O ATOM 1138 CB LEU A 77 114.793 4.452 17.161 1.00 0.00 C ATOM 1139 CG LEU A 77 116.178 4.984 16.778 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.262 4.011 17.262 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.266 5.129 15.257 1.00 0.00 C ATOM 0 H LEU A 77 112.677 3.663 18.436 1.00 0.00 H new ATOM 0 HA LEU A 77 115.370 4.667 19.232 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.759 3.372 17.020 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.036 4.883 16.506 1.00 0.00 H new ATOM 0 HG LEU A 77 116.332 5.956 17.248 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.244 4.395 16.987 1.00 0.00 H new ATOM 0 HD12 LEU A 77 117.203 3.910 18.346 1.00 0.00 H new ATOM 0 HD13 LEU A 77 117.110 3.037 16.798 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.251 5.507 14.984 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.108 4.157 14.789 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.502 5.826 14.913 1.00 0.00 H new ATOM 1153 N GLU A 78 112.737 6.485 18.864 1.00 0.00 N ATOM 1154 CA GLU A 78 112.240 7.890 18.945 1.00 0.00 C ATOM 1155 C GLU A 78 112.872 8.587 20.151 1.00 0.00 C ATOM 1156 O GLU A 78 113.308 9.718 20.065 1.00 0.00 O ATOM 1157 CB GLU A 78 110.714 7.891 19.081 1.00 0.00 C ATOM 1158 CG GLU A 78 110.275 6.801 20.061 1.00 0.00 C ATOM 1159 CD GLU A 78 108.766 6.903 20.292 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.059 7.185 19.339 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.343 6.700 21.418 1.00 0.00 O ATOM 0 H GLU A 78 112.020 5.764 18.939 1.00 0.00 H new ATOM 0 HA GLU A 78 112.516 8.425 18.037 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.373 8.865 19.431 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.254 7.723 18.107 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.528 5.817 19.665 1.00 0.00 H new ATOM 0 HG3 GLU A 78 110.807 6.911 21.006 1.00 0.00 H new ATOM 1168 N ASN A 79 112.935 7.925 21.274 1.00 0.00 N ATOM 1169 CA ASN A 79 113.552 8.558 22.473 1.00 0.00 C ATOM 1170 C ASN A 79 115.040 8.793 22.199 1.00 0.00 C ATOM 1171 O ASN A 79 115.707 9.518 22.911 1.00 0.00 O ATOM 1172 CB ASN A 79 113.393 7.630 23.680 1.00 0.00 C ATOM 1173 CG ASN A 79 111.918 7.563 24.082 1.00 0.00 C ATOM 1174 OD1 ASN A 79 111.162 8.474 23.810 1.00 0.00 O ATOM 1175 ND2 ASN A 79 111.472 6.511 24.713 1.00 0.00 N ATOM 0 H ASN A 79 112.587 6.976 21.413 1.00 0.00 H new ATOM 0 HA ASN A 79 113.061 9.508 22.684 1.00 0.00 H new ATOM 0 HB2 ASN A 79 113.760 6.633 23.436 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.992 7.995 24.514 1.00 0.00 H new ATOM 0 HD21 ASN A 79 110.489 6.454 24.978 1.00 0.00 H new ATOM 0 HD22 ASN A 79 112.107 5.746 24.941 1.00 0.00 H new ATOM 1182 N LYS A 80 115.560 8.192 21.163 1.00 0.00 N ATOM 1183 CA LYS A 80 116.998 8.384 20.831 1.00 0.00 C ATOM 1184 C LYS A 80 117.120 9.406 19.696 1.00 0.00 C ATOM 1185 O LYS A 80 117.982 10.262 19.701 1.00 0.00 O ATOM 1186 CB LYS A 80 117.598 7.045 20.383 1.00 0.00 C ATOM 1187 CG LYS A 80 118.948 7.279 19.692 1.00 0.00 C ATOM 1188 CD LYS A 80 119.891 8.027 20.641 1.00 0.00 C ATOM 1189 CE LYS A 80 120.030 7.241 21.947 1.00 0.00 C ATOM 1190 NZ LYS A 80 121.305 7.615 22.619 1.00 0.00 N ATOM 0 H LYS A 80 115.048 7.575 20.532 1.00 0.00 H new ATOM 0 HA LYS A 80 117.535 8.747 21.708 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.730 6.390 21.244 1.00 0.00 H new ATOM 0 HB3 LYS A 80 116.914 6.541 19.701 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.389 6.325 19.402 1.00 0.00 H new ATOM 0 HG3 LYS A 80 118.805 7.855 18.778 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.868 8.154 20.175 1.00 0.00 H new ATOM 0 HD3 LYS A 80 119.503 9.025 20.844 1.00 0.00 H new ATOM 0 HE2 LYS A 80 119.185 7.453 22.603 1.00 0.00 H new ATOM 0 HE3 LYS A 80 120.015 6.170 21.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 121.399 7.081 23.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.105 7.392 21.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.302 8.634 22.827 1.00 0.00 H new ATOM 1204 N LEU A 81 116.260 9.315 18.718 1.00 0.00 N ATOM 1205 CA LEU A 81 116.311 10.272 17.575 1.00 0.00 C ATOM 1206 C LEU A 81 114.939 10.927 17.408 1.00 0.00 C ATOM 1207 O LEU A 81 113.933 10.252 17.294 1.00 0.00 O ATOM 1208 CB LEU A 81 116.674 9.512 16.296 1.00 0.00 C ATOM 1209 CG LEU A 81 116.884 10.499 15.144 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.123 11.356 15.418 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.082 9.720 13.844 1.00 0.00 C ATOM 0 H LEU A 81 115.520 8.615 18.661 1.00 0.00 H new ATOM 0 HA LEU A 81 117.061 11.039 17.767 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.580 8.927 16.455 1.00 0.00 H new ATOM 0 HB3 LEU A 81 115.881 8.808 16.043 1.00 0.00 H new ATOM 0 HG LEU A 81 116.011 11.146 15.056 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.269 12.057 14.596 1.00 0.00 H new ATOM 0 HD12 LEU A 81 117.985 11.909 16.347 1.00 0.00 H new ATOM 0 HD13 LEU A 81 118.998 10.712 15.506 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.232 10.418 13.021 1.00 0.00 H new ATOM 0 HD22 LEU A 81 117.956 9.075 13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.200 9.111 13.647 1.00 0.00 H new ATOM 1223 N LYS A 82 114.881 12.231 17.392 1.00 0.00 N ATOM 1224 CA LYS A 82 113.565 12.906 17.229 1.00 0.00 C ATOM 1225 C LYS A 82 113.184 12.926 15.744 1.00 0.00 C ATOM 1226 O LYS A 82 113.415 13.894 15.046 1.00 0.00 O ATOM 1227 CB LYS A 82 113.659 14.343 17.753 1.00 0.00 C ATOM 1228 CG LYS A 82 112.305 15.041 17.604 1.00 0.00 C ATOM 1229 CD LYS A 82 111.287 14.395 18.548 1.00 0.00 C ATOM 1230 CE LYS A 82 110.117 15.355 18.769 1.00 0.00 C ATOM 1231 NZ LYS A 82 109.417 15.594 17.476 1.00 0.00 N ATOM 0 H LYS A 82 115.684 12.854 17.484 1.00 0.00 H new ATOM 0 HA LYS A 82 112.805 12.364 17.792 1.00 0.00 H new ATOM 0 HB2 LYS A 82 113.962 14.339 18.800 1.00 0.00 H new ATOM 0 HB3 LYS A 82 114.423 14.891 17.202 1.00 0.00 H new ATOM 0 HG2 LYS A 82 112.405 16.102 17.832 1.00 0.00 H new ATOM 0 HG3 LYS A 82 111.958 14.967 16.573 1.00 0.00 H new ATOM 0 HD2 LYS A 82 110.927 13.457 18.125 1.00 0.00 H new ATOM 0 HD3 LYS A 82 111.759 14.155 19.501 1.00 0.00 H new ATOM 0 HE2 LYS A 82 109.423 14.937 19.498 1.00 0.00 H new ATOM 0 HE3 LYS A 82 110.479 16.298 19.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 108.505 16.060 17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 110.004 16.203 16.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 109.253 14.686 16.997 1.00 0.00 H new ATOM 1245 N LEU A 83 112.606 11.862 15.258 1.00 0.00 N ATOM 1246 CA LEU A 83 112.213 11.809 13.820 1.00 0.00 C ATOM 1247 C LEU A 83 110.934 12.619 13.598 1.00 0.00 C ATOM 1248 O LEU A 83 110.050 12.643 14.430 1.00 0.00 O ATOM 1249 CB LEU A 83 111.967 10.355 13.415 1.00 0.00 C ATOM 1250 CG LEU A 83 113.291 9.586 13.412 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.010 8.092 13.243 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.168 10.072 12.252 1.00 0.00 C ATOM 0 H LEU A 83 112.388 11.024 15.796 1.00 0.00 H new ATOM 0 HA LEU A 83 113.015 12.231 13.214 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.267 9.889 14.108 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.511 10.316 12.426 1.00 0.00 H new ATOM 0 HG LEU A 83 113.810 9.758 14.355 1.00 0.00 H new ATOM 0 HD11 LEU A 83 113.951 7.543 13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.388 7.743 14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.490 7.924 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.109 9.523 12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.650 9.902 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.369 11.137 12.369 1.00 0.00 H new ATOM 1264 N THR A 84 110.833 13.278 12.473 1.00 0.00 N ATOM 1265 CA THR A 84 109.609 14.086 12.182 1.00 0.00 C ATOM 1266 C THR A 84 109.053 13.687 10.814 1.00 0.00 C ATOM 1267 O THR A 84 109.758 13.149 9.982 1.00 0.00 O ATOM 1268 CB THR A 84 109.971 15.573 12.167 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.860 15.832 11.089 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.642 15.954 13.487 1.00 0.00 C ATOM 0 H THR A 84 111.545 13.292 11.742 1.00 0.00 H new ATOM 0 HA THR A 84 108.859 13.901 12.951 1.00 0.00 H new ATOM 0 HB THR A 84 109.064 16.165 12.042 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.091 16.784 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.898 17.013 13.472 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.958 15.757 14.313 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.549 15.363 13.618 1.00 0.00 H new ATOM 1278 N ASN A 85 107.795 13.941 10.572 1.00 0.00 N ATOM 1279 CA ASN A 85 107.202 13.575 9.254 1.00 0.00 C ATOM 1280 C ASN A 85 107.425 12.087 8.984 1.00 0.00 C ATOM 1281 O ASN A 85 107.924 11.700 7.945 1.00 0.00 O ATOM 1282 CB ASN A 85 107.860 14.401 8.146 1.00 0.00 C ATOM 1283 CG ASN A 85 107.281 15.818 8.153 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.907 16.766 7.511 1.00 0.00 O flip ATOM 1285 ND2 ASN A 85 106.249 16.063 8.743 1.00 0.00 N flip ATOM 0 H ASN A 85 107.154 14.385 11.229 1.00 0.00 H new ATOM 0 HA ASN A 85 106.132 13.782 9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 85 108.939 14.437 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.689 13.932 7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 85 105.760 15.322 9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 85 105.871 17.010 8.737 1.00 0.00 H new ATOM 1292 N ILE A 86 107.067 11.247 9.917 1.00 0.00 N ATOM 1293 CA ILE A 86 107.264 9.782 9.726 1.00 0.00 C ATOM 1294 C ILE A 86 106.161 9.215 8.825 1.00 0.00 C ATOM 1295 O ILE A 86 104.986 9.442 9.045 1.00 0.00 O ATOM 1296 CB ILE A 86 107.225 9.093 11.092 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.423 9.557 11.924 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.287 7.579 10.906 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.247 9.107 13.375 1.00 0.00 C ATOM 0 H ILE A 86 106.645 11.514 10.806 1.00 0.00 H new ATOM 0 HA ILE A 86 108.228 9.603 9.250 1.00 0.00 H new ATOM 0 HB ILE A 86 106.299 9.353 11.605 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.345 9.144 11.514 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.512 10.642 11.878 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.259 7.091 11.880 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.435 7.250 10.311 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.211 7.313 10.393 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.101 9.439 13.965 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.334 9.541 13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.180 8.020 13.413 1.00 0.00 H new ATOM 1311 N ILE A 87 106.536 8.475 7.811 1.00 0.00 N ATOM 1312 CA ILE A 87 105.522 7.881 6.888 1.00 0.00 C ATOM 1313 C ILE A 87 105.619 6.354 6.946 1.00 0.00 C ATOM 1314 O ILE A 87 106.647 5.782 6.621 1.00 0.00 O ATOM 1315 CB ILE A 87 105.813 8.338 5.453 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.776 9.869 5.372 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.768 7.750 4.502 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.429 10.387 5.881 1.00 0.00 C ATOM 0 H ILE A 87 107.506 8.256 7.583 1.00 0.00 H new ATOM 0 HA ILE A 87 104.525 8.204 7.188 1.00 0.00 H new ATOM 0 HB ILE A 87 106.804 7.988 5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.586 10.293 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 87 105.933 10.191 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 87 104.978 8.077 3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.805 6.662 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.776 8.092 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.411 11.475 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.626 9.976 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.289 10.079 6.917 1.00 0.00 H new ATOM 1330 N MET A 88 104.565 5.684 7.352 1.00 0.00 N ATOM 1331 CA MET A 88 104.615 4.189 7.422 1.00 0.00 C ATOM 1332 C MET A 88 103.533 3.592 6.516 1.00 0.00 C ATOM 1333 O MET A 88 102.365 3.573 6.856 1.00 0.00 O ATOM 1334 CB MET A 88 104.380 3.732 8.865 1.00 0.00 C ATOM 1335 CG MET A 88 105.446 4.344 9.775 1.00 0.00 C ATOM 1336 SD MET A 88 105.097 3.908 11.496 1.00 0.00 S ATOM 1337 CE MET A 88 105.870 2.272 11.485 1.00 0.00 C ATOM 0 H MET A 88 103.680 6.104 7.635 1.00 0.00 H new ATOM 0 HA MET A 88 105.595 3.848 7.088 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.387 4.035 9.196 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.418 2.644 8.924 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.434 3.981 9.490 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.459 5.428 9.659 1.00 0.00 H new ATOM 0 HE1 MET A 88 105.863 1.859 12.494 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.315 1.612 10.819 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.899 2.358 11.136 1.00 0.00 H new ATOM 1347 N ASP A 89 103.914 3.094 5.367 1.00 0.00 N ATOM 1348 CA ASP A 89 102.914 2.485 4.438 1.00 0.00 C ATOM 1349 C ASP A 89 103.142 0.970 4.381 1.00 0.00 C ATOM 1350 O ASP A 89 104.018 0.489 3.684 1.00 0.00 O ATOM 1351 CB ASP A 89 103.090 3.082 3.040 1.00 0.00 C ATOM 1352 CG ASP A 89 102.582 4.525 3.030 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.877 4.891 3.956 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.907 5.241 2.096 1.00 0.00 O ATOM 0 H ASP A 89 104.877 3.083 5.031 1.00 0.00 H new ATOM 0 HA ASP A 89 101.905 2.691 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.141 3.054 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.542 2.488 2.308 1.00 0.00 H new ATOM 1359 N HIS A 90 102.364 0.213 5.103 1.00 0.00 N ATOM 1360 CA HIS A 90 102.540 -1.269 5.091 1.00 0.00 C ATOM 1361 C HIS A 90 102.058 -1.857 3.761 1.00 0.00 C ATOM 1362 O HIS A 90 102.621 -2.808 3.256 1.00 0.00 O ATOM 1363 CB HIS A 90 101.745 -1.884 6.242 1.00 0.00 C ATOM 1364 CG HIS A 90 102.380 -1.500 7.550 1.00 0.00 C ATOM 1365 ND1 HIS A 90 101.861 -0.500 8.360 1.00 0.00 N ATOM 1366 CD2 HIS A 90 103.495 -1.970 8.200 1.00 0.00 C ATOM 1367 CE1 HIS A 90 102.655 -0.402 9.443 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.663 -1.275 9.392 1.00 0.00 N ATOM 0 H HIS A 90 101.613 0.555 5.702 1.00 0.00 H new ATOM 0 HA HIS A 90 103.599 -1.499 5.210 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.712 -1.537 6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.720 -2.969 6.142 1.00 0.00 H new ATOM 0 HD2 HIS A 90 104.141 -2.757 7.841 1.00 0.00 H new ATOM 0 HE1 HIS A 90 102.496 0.296 10.252 1.00 0.00 H new ATOM 0 HE2 HIS A 90 104.402 -1.405 10.083 1.00 0.00 H new ATOM 1377 N TYR A 91 101.016 -1.314 3.191 1.00 0.00 N ATOM 1378 CA TYR A 91 100.510 -1.862 1.899 1.00 0.00 C ATOM 1379 C TYR A 91 101.605 -1.758 0.836 1.00 0.00 C ATOM 1380 O TYR A 91 101.852 -2.689 0.095 1.00 0.00 O ATOM 1381 CB TYR A 91 99.279 -1.076 1.448 1.00 0.00 C ATOM 1382 CG TYR A 91 98.846 -1.569 0.088 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.183 -2.795 -0.036 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.111 -0.798 -1.051 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.785 -3.251 -1.299 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.714 -1.254 -2.313 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.051 -2.481 -2.437 1.00 0.00 C ATOM 1388 OH TYR A 91 97.660 -2.931 -3.682 1.00 0.00 O ATOM 0 H TYR A 91 100.495 -0.519 3.561 1.00 0.00 H new ATOM 0 HA TYR A 91 100.235 -2.908 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.470 -1.200 2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.508 -0.011 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.978 -3.390 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.622 0.149 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.273 -4.197 -1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.919 -0.660 -3.191 1.00 0.00 H new ATOM 0 HH TYR A 91 97.920 -2.276 -4.363 1.00 0.00 H new ATOM 1398 N ASN A 92 102.268 -0.636 0.756 1.00 0.00 N ATOM 1399 CA ASN A 92 103.350 -0.486 -0.258 1.00 0.00 C ATOM 1400 C ASN A 92 104.674 -0.949 0.353 1.00 0.00 C ATOM 1401 O ASN A 92 105.687 -1.020 -0.315 1.00 0.00 O ATOM 1402 CB ASN A 92 103.460 0.981 -0.680 1.00 0.00 C ATOM 1403 CG ASN A 92 102.263 1.349 -1.559 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.610 0.485 -2.109 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.946 2.605 -1.715 1.00 0.00 N ATOM 0 H ASN A 92 102.108 0.180 1.347 1.00 0.00 H new ATOM 0 HA ASN A 92 103.120 -1.091 -1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.489 1.623 0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.389 1.145 -1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.150 2.861 -2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.494 3.331 -1.253 1.00 0.00 H new ATOM 1412 N ASN A 93 104.665 -1.281 1.617 1.00 0.00 N ATOM 1413 CA ASN A 93 105.910 -1.763 2.275 1.00 0.00 C ATOM 1414 C ASN A 93 107.035 -0.743 2.087 1.00 0.00 C ATOM 1415 O ASN A 93 108.139 -1.089 1.711 1.00 0.00 O ATOM 1416 CB ASN A 93 106.324 -3.102 1.658 1.00 0.00 C ATOM 1417 CG ASN A 93 105.314 -4.183 2.057 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.580 -4.022 3.010 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.247 -5.285 1.360 1.00 0.00 N ATOM 0 H ASN A 93 103.845 -1.238 2.222 1.00 0.00 H new ATOM 0 HA ASN A 93 105.724 -1.891 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.370 -3.015 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.322 -3.378 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.578 -6.011 1.616 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.864 -5.420 0.559 1.00 0.00 H new ATOM 1426 N THR A 94 106.774 0.515 2.350 1.00 0.00 N ATOM 1427 CA THR A 94 107.841 1.551 2.190 1.00 0.00 C ATOM 1428 C THR A 94 107.844 2.470 3.416 1.00 0.00 C ATOM 1429 O THR A 94 106.805 2.824 3.941 1.00 0.00 O ATOM 1430 CB THR A 94 107.569 2.374 0.928 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.485 3.458 0.869 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.139 2.911 0.963 1.00 0.00 C ATOM 0 H THR A 94 105.871 0.868 2.667 1.00 0.00 H new ATOM 0 HA THR A 94 108.812 1.065 2.099 1.00 0.00 H new ATOM 0 HB THR A 94 107.693 1.743 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.216 4.149 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.948 3.496 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.438 2.077 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.009 3.543 1.842 1.00 0.00 H new ATOM 1440 N PHE A 95 109.007 2.846 3.881 1.00 0.00 N ATOM 1441 CA PHE A 95 109.077 3.732 5.084 1.00 0.00 C ATOM 1442 C PHE A 95 109.987 4.932 4.805 1.00 0.00 C ATOM 1443 O PHE A 95 111.019 4.803 4.177 1.00 0.00 O ATOM 1444 CB PHE A 95 109.649 2.926 6.256 1.00 0.00 C ATOM 1445 CG PHE A 95 108.768 1.725 6.519 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.986 0.532 5.820 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.737 1.805 7.461 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.172 -0.581 6.062 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.922 0.693 7.704 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.139 -0.500 7.004 1.00 0.00 C ATOM 0 H PHE A 95 109.908 2.580 3.483 1.00 0.00 H new ATOM 0 HA PHE A 95 108.078 4.095 5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.665 2.603 6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.706 3.551 7.147 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.783 0.470 5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.570 2.725 8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.341 -1.501 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.126 0.755 8.431 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.510 -1.358 7.191 1.00 0.00 H new ATOM 1460 N TYR A 96 109.617 6.095 5.278 1.00 0.00 N ATOM 1461 CA TYR A 96 110.465 7.306 5.049 1.00 0.00 C ATOM 1462 C TYR A 96 110.566 8.113 6.346 1.00 0.00 C ATOM 1463 O TYR A 96 109.635 8.165 7.130 1.00 0.00 O ATOM 1464 CB TYR A 96 109.823 8.202 3.981 1.00 0.00 C ATOM 1465 CG TYR A 96 109.652 7.443 2.686 1.00 0.00 C ATOM 1466 CD1 TYR A 96 108.477 6.720 2.451 1.00 0.00 C ATOM 1467 CD2 TYR A 96 110.658 7.478 1.714 1.00 0.00 C ATOM 1468 CE1 TYR A 96 108.308 6.030 1.245 1.00 0.00 C ATOM 1469 CE2 TYR A 96 110.492 6.786 0.508 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.316 6.063 0.273 1.00 0.00 C ATOM 1471 OH TYR A 96 109.149 5.384 -0.916 1.00 0.00 O ATOM 0 H TYR A 96 108.764 6.259 5.813 1.00 0.00 H new ATOM 0 HA TYR A 96 111.453 6.982 4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.854 8.558 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.445 9.082 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 96 107.700 6.694 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 96 111.563 8.039 1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 96 107.401 5.472 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 96 111.270 6.810 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 96 108.843 4.472 -0.731 1.00 0.00 H new ATOM 1481 N SER A 97 111.679 8.756 6.580 1.00 0.00 N ATOM 1482 CA SER A 97 111.829 9.571 7.820 1.00 0.00 C ATOM 1483 C SER A 97 112.831 10.699 7.562 1.00 0.00 C ATOM 1484 O SER A 97 113.628 10.636 6.643 1.00 0.00 O ATOM 1485 CB SER A 97 112.336 8.691 8.964 1.00 0.00 C ATOM 1486 OG SER A 97 113.747 8.552 8.863 1.00 0.00 O ATOM 0 H SER A 97 112.492 8.752 5.964 1.00 0.00 H new ATOM 0 HA SER A 97 110.862 9.991 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 97 112.071 9.135 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 97 111.859 7.712 8.923 1.00 0.00 H new ATOM 0 HG SER A 97 114.183 9.306 9.312 1.00 0.00 H new ATOM 1492 N ARG A 98 112.795 11.740 8.356 1.00 0.00 N ATOM 1493 CA ARG A 98 113.745 12.876 8.141 1.00 0.00 C ATOM 1494 C ARG A 98 114.797 12.878 9.260 1.00 0.00 C ATOM 1495 O ARG A 98 114.486 12.671 10.416 1.00 0.00 O ATOM 1496 CB ARG A 98 112.973 14.202 8.162 1.00 0.00 C ATOM 1497 CG ARG A 98 111.892 14.193 7.072 1.00 0.00 C ATOM 1498 CD ARG A 98 111.103 15.503 7.119 1.00 0.00 C ATOM 1499 NE ARG A 98 111.919 16.586 6.481 1.00 0.00 N ATOM 1500 CZ ARG A 98 111.455 17.803 6.376 1.00 0.00 C ATOM 1501 NH1 ARG A 98 110.220 18.070 6.707 1.00 0.00 N ATOM 1502 NH2 ARG A 98 112.220 18.751 5.909 1.00 0.00 N ATOM 0 H ARG A 98 112.153 11.853 9.140 1.00 0.00 H new ATOM 0 HA ARG A 98 114.238 12.760 7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.515 14.351 9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.658 15.034 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.351 14.069 6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.220 13.347 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.153 15.390 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 98 110.870 15.765 8.151 1.00 0.00 H new ATOM 0 HE ARG A 98 112.850 16.370 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 98 109.612 17.326 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 98 109.864 19.022 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 98 113.178 18.541 5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 98 111.861 19.702 5.826 1.00 0.00 H new ATOM 1516 N LEU A 99 116.035 13.108 8.920 1.00 0.00 N ATOM 1517 CA LEU A 99 117.113 13.126 9.947 1.00 0.00 C ATOM 1518 C LEU A 99 117.324 14.563 10.445 1.00 0.00 C ATOM 1519 O LEU A 99 117.361 15.488 9.656 1.00 0.00 O ATOM 1520 CB LEU A 99 118.421 12.637 9.319 1.00 0.00 C ATOM 1521 CG LEU A 99 118.378 11.123 9.111 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.692 10.665 8.476 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.194 10.418 10.463 1.00 0.00 C ATOM 0 H LEU A 99 116.348 13.286 7.966 1.00 0.00 H new ATOM 0 HA LEU A 99 116.827 12.479 10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.583 13.137 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.261 12.899 9.962 1.00 0.00 H new ATOM 0 HG LEU A 99 117.543 10.871 8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.667 9.586 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.825 11.162 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.523 10.920 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 99 118.164 9.339 10.310 1.00 0.00 H new ATOM 0 HD22 LEU A 99 119.027 10.668 11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.260 10.746 10.920 1.00 0.00 H new ATOM 1535 N PRO A 100 117.492 14.759 11.732 1.00 0.00 N ATOM 1536 CA PRO A 100 117.732 16.114 12.294 1.00 0.00 C ATOM 1537 C PRO A 100 118.780 16.876 11.480 1.00 0.00 C ATOM 1538 O PRO A 100 119.428 16.320 10.617 1.00 0.00 O ATOM 1539 CB PRO A 100 118.249 15.837 13.705 1.00 0.00 C ATOM 1540 CG PRO A 100 117.676 14.513 14.084 1.00 0.00 C ATOM 1541 CD PRO A 100 117.471 13.728 12.787 1.00 0.00 C ATOM 0 HA PRO A 100 116.835 16.733 12.280 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.339 15.814 13.727 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.932 16.615 14.399 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.349 13.980 14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.731 14.639 14.613 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.260 12.991 12.639 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.525 13.186 12.795 1.00 0.00 H new ATOM 1549 N SER A 101 118.946 18.140 11.735 1.00 0.00 N ATOM 1550 CA SER A 101 119.949 18.921 10.961 1.00 0.00 C ATOM 1551 C SER A 101 121.352 18.657 11.517 1.00 0.00 C ATOM 1552 O SER A 101 122.342 19.048 10.932 1.00 0.00 O ATOM 1553 CB SER A 101 119.630 20.412 11.073 1.00 0.00 C ATOM 1554 OG SER A 101 118.373 20.671 10.461 1.00 0.00 O ATOM 0 H SER A 101 118.434 18.666 12.443 1.00 0.00 H new ATOM 0 HA SER A 101 119.913 18.617 9.915 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.606 20.713 12.120 1.00 0.00 H new ATOM 0 HB3 SER A 101 120.411 21.000 10.590 1.00 0.00 H new ATOM 0 HG SER A 101 118.165 21.626 10.533 1.00 0.00 H new ATOM 1560 N LEU A 102 121.445 18.011 12.649 1.00 0.00 N ATOM 1561 CA LEU A 102 122.788 17.743 13.249 1.00 0.00 C ATOM 1562 C LEU A 102 122.866 16.305 13.762 1.00 0.00 C ATOM 1563 O LEU A 102 122.011 15.847 14.495 1.00 0.00 O ATOM 1564 CB LEU A 102 123.009 18.713 14.411 1.00 0.00 C ATOM 1565 CG LEU A 102 124.356 18.432 15.077 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.477 18.533 14.041 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.595 19.461 16.185 1.00 0.00 C ATOM 0 H LEU A 102 120.652 17.657 13.184 1.00 0.00 H new ATOM 0 HA LEU A 102 123.557 17.882 12.489 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.981 19.741 14.048 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.205 18.610 15.140 1.00 0.00 H new ATOM 0 HG LEU A 102 124.348 17.428 15.501 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.435 18.332 14.521 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.307 17.803 13.249 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.489 19.536 13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.555 19.265 16.663 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.602 20.463 15.756 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.799 19.389 16.926 1.00 0.00 H new ATOM 1579 N ILE A 103 123.900 15.590 13.395 1.00 0.00 N ATOM 1580 CA ILE A 103 124.058 14.184 13.875 1.00 0.00 C ATOM 1581 C ILE A 103 125.553 13.883 14.026 1.00 0.00 C ATOM 1582 O ILE A 103 126.248 13.646 13.059 1.00 0.00 O ATOM 1583 CB ILE A 103 123.445 13.209 12.866 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.930 13.419 12.801 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.737 11.770 13.301 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.345 12.582 11.664 1.00 0.00 C ATOM 0 H ILE A 103 124.644 15.922 12.781 1.00 0.00 H new ATOM 0 HA ILE A 103 123.549 14.067 14.832 1.00 0.00 H new ATOM 0 HB ILE A 103 123.880 13.390 11.883 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.472 13.134 13.748 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.705 14.474 12.643 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.300 11.077 12.582 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.815 11.615 13.346 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.304 11.592 14.285 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.266 12.733 11.619 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.794 12.888 10.719 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.557 11.528 11.842 1.00 0.00 H new ATOM 1598 N SER A 104 126.058 13.895 15.232 1.00 0.00 N ATOM 1599 CA SER A 104 127.510 13.617 15.435 1.00 0.00 C ATOM 1600 C SER A 104 127.697 12.189 15.952 1.00 0.00 C ATOM 1601 O SER A 104 128.804 11.704 16.073 1.00 0.00 O ATOM 1602 CB SER A 104 128.077 14.605 16.455 1.00 0.00 C ATOM 1603 OG SER A 104 127.970 15.926 15.937 1.00 0.00 O ATOM 0 H SER A 104 125.529 14.085 16.083 1.00 0.00 H new ATOM 0 HA SER A 104 128.034 13.727 14.486 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.534 14.526 17.397 1.00 0.00 H new ATOM 0 HB3 SER A 104 129.120 14.368 16.668 1.00 0.00 H new ATOM 0 HG SER A 104 128.331 16.563 16.588 1.00 0.00 H new ATOM 1609 N ASP A 105 126.626 11.512 16.261 1.00 0.00 N ATOM 1610 CA ASP A 105 126.745 10.117 16.773 1.00 0.00 C ATOM 1611 C ASP A 105 126.929 9.144 15.605 1.00 0.00 C ATOM 1612 O ASP A 105 126.517 9.404 14.495 1.00 0.00 O ATOM 1613 CB ASP A 105 125.480 9.751 17.550 1.00 0.00 C ATOM 1614 CG ASP A 105 125.525 10.388 18.940 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.600 10.789 19.354 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.481 10.463 19.568 1.00 0.00 O ATOM 0 H ASP A 105 125.672 11.865 16.181 1.00 0.00 H new ATOM 0 HA ASP A 105 127.611 10.050 17.431 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.598 10.095 17.010 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.397 8.668 17.639 1.00 0.00 H new ATOM 1621 N ASN A 106 127.542 8.020 15.857 1.00 0.00 N ATOM 1622 CA ASN A 106 127.756 7.012 14.777 1.00 0.00 C ATOM 1623 C ASN A 106 126.752 5.870 14.952 1.00 0.00 C ATOM 1624 O ASN A 106 127.054 4.723 14.695 1.00 0.00 O ATOM 1625 CB ASN A 106 129.176 6.453 14.868 1.00 0.00 C ATOM 1626 CG ASN A 106 130.184 7.523 14.448 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.832 8.488 13.799 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.436 7.390 14.796 1.00 0.00 N ATOM 0 H ASN A 106 127.907 7.754 16.771 1.00 0.00 H new ATOM 0 HA ASN A 106 127.616 7.485 13.805 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.383 6.126 15.887 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.273 5.577 14.226 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.119 8.097 14.523 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.731 6.580 15.341 1.00 0.00 H new ATOM 1635 N TRP A 107 125.573 6.167 15.421 1.00 0.00 N ATOM 1636 CA TRP A 107 124.567 5.090 15.650 1.00 0.00 C ATOM 1637 C TRP A 107 124.161 4.447 14.323 1.00 0.00 C ATOM 1638 O TRP A 107 124.220 5.056 13.272 1.00 0.00 O ATOM 1639 CB TRP A 107 123.327 5.679 16.329 1.00 0.00 C ATOM 1640 CG TRP A 107 122.736 6.756 15.473 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.257 7.991 15.309 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.515 6.722 14.676 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.444 8.717 14.460 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.355 7.978 14.041 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.543 5.733 14.442 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.273 8.242 13.207 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.450 5.998 13.602 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.315 7.249 12.985 1.00 0.00 C ATOM 0 H TRP A 107 125.261 7.109 15.656 1.00 0.00 H new ATOM 0 HA TRP A 107 125.011 4.329 16.291 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.590 4.895 16.501 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.595 6.085 17.305 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.165 8.354 15.768 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.626 9.680 14.177 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.638 4.765 14.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.174 9.208 12.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.708 5.232 13.430 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.472 7.445 12.339 1.00 0.00 H new ATOM 1659 N LYS A 108 123.757 3.204 14.376 1.00 0.00 N ATOM 1660 CA LYS A 108 123.344 2.485 13.138 1.00 0.00 C ATOM 1661 C LYS A 108 122.021 1.764 13.407 1.00 0.00 C ATOM 1662 O LYS A 108 121.714 1.412 14.530 1.00 0.00 O ATOM 1663 CB LYS A 108 124.419 1.461 12.759 1.00 0.00 C ATOM 1664 CG LYS A 108 125.763 1.888 13.351 1.00 0.00 C ATOM 1665 CD LYS A 108 126.891 1.106 12.669 1.00 0.00 C ATOM 1666 CE LYS A 108 126.758 -0.386 12.993 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.015 -1.066 11.894 1.00 0.00 N ATOM 0 H LYS A 108 123.696 2.653 15.232 1.00 0.00 H new ATOM 0 HA LYS A 108 123.221 3.194 12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.143 0.474 13.131 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.496 1.383 11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 108 125.911 2.959 13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 108 125.775 1.703 14.425 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.851 1.258 11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 108 127.859 1.476 13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 108 127.745 -0.833 13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.233 -0.519 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.196 -1.570 12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 125.687 -0.358 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.643 -1.745 11.419 1.00 0.00 H new ATOM 1681 N PHE A 109 121.239 1.524 12.390 1.00 0.00 N ATOM 1682 CA PHE A 109 119.946 0.807 12.603 1.00 0.00 C ATOM 1683 C PHE A 109 119.579 0.063 11.315 1.00 0.00 C ATOM 1684 O PHE A 109 120.116 0.341 10.256 1.00 0.00 O ATOM 1685 CB PHE A 109 118.851 1.812 12.967 1.00 0.00 C ATOM 1686 CG PHE A 109 118.427 2.590 11.744 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.121 3.746 11.371 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.331 2.156 10.989 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.719 4.469 10.242 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.928 2.879 9.860 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.622 4.036 9.488 1.00 0.00 C ATOM 0 H PHE A 109 121.436 1.791 11.426 1.00 0.00 H new ATOM 0 HA PHE A 109 120.044 0.093 13.421 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.993 1.289 13.389 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.216 2.496 13.733 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.966 4.080 11.954 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.796 1.263 11.278 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.255 5.361 9.953 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.083 2.544 9.277 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.311 4.595 8.618 1.00 0.00 H new ATOM 1701 N PHE A 110 118.689 -0.897 11.383 1.00 0.00 N ATOM 1702 CA PHE A 110 118.338 -1.646 10.143 1.00 0.00 C ATOM 1703 C PHE A 110 116.924 -2.238 10.216 1.00 0.00 C ATOM 1704 O PHE A 110 116.360 -2.416 11.275 1.00 0.00 O ATOM 1705 CB PHE A 110 119.350 -2.781 9.953 1.00 0.00 C ATOM 1706 CG PHE A 110 119.531 -3.525 11.255 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.339 -2.985 12.264 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.894 -4.757 11.454 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.511 -3.676 13.470 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.068 -5.448 12.661 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.877 -4.908 13.668 1.00 0.00 C ATOM 0 H PHE A 110 118.199 -1.189 12.229 1.00 0.00 H new ATOM 0 HA PHE A 110 118.366 -0.952 9.303 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.003 -3.464 9.178 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.305 -2.377 9.618 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.830 -2.035 12.112 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.269 -5.174 10.678 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.133 -3.258 14.248 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.578 -6.398 12.814 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.012 -5.442 14.597 1.00 0.00 H new ATOM 1721 N CYS A 111 116.375 -2.566 9.074 1.00 0.00 N ATOM 1722 CA CYS A 111 115.014 -3.180 9.014 1.00 0.00 C ATOM 1723 C CYS A 111 115.122 -4.487 8.228 1.00 0.00 C ATOM 1724 O CYS A 111 116.045 -4.667 7.460 1.00 0.00 O ATOM 1725 CB CYS A 111 114.048 -2.234 8.298 1.00 0.00 C ATOM 1726 SG CYS A 111 113.739 -0.773 9.327 1.00 0.00 S ATOM 0 H CYS A 111 116.820 -2.432 8.166 1.00 0.00 H new ATOM 0 HA CYS A 111 114.640 -3.366 10.021 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.466 -1.932 7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.110 -2.748 8.089 1.00 0.00 H new ATOM 1731 N VAL A 112 114.222 -5.414 8.424 1.00 0.00 N ATOM 1732 CA VAL A 112 114.334 -6.712 7.688 1.00 0.00 C ATOM 1733 C VAL A 112 113.029 -7.075 6.974 1.00 0.00 C ATOM 1734 O VAL A 112 111.946 -6.942 7.509 1.00 0.00 O ATOM 1735 CB VAL A 112 114.689 -7.820 8.678 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.499 -9.183 8.007 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.148 -7.668 9.111 1.00 0.00 C ATOM 0 H VAL A 112 113.423 -5.333 9.053 1.00 0.00 H new ATOM 0 HA VAL A 112 115.113 -6.606 6.933 1.00 0.00 H new ATOM 0 HB VAL A 112 114.040 -7.749 9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.752 -9.974 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.460 -9.293 7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.149 -9.253 7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.402 -8.458 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.796 -7.740 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.287 -6.697 9.587 1.00 0.00 H new ATOM 1747 N CYS A 113 113.148 -7.582 5.771 1.00 0.00 N ATOM 1748 CA CYS A 113 111.955 -8.030 4.992 1.00 0.00 C ATOM 1749 C CYS A 113 112.169 -9.509 4.658 1.00 0.00 C ATOM 1750 O CYS A 113 113.235 -9.893 4.217 1.00 0.00 O ATOM 1751 CB CYS A 113 111.849 -7.226 3.694 1.00 0.00 C ATOM 1752 SG CYS A 113 111.427 -5.505 4.064 1.00 0.00 S ATOM 0 H CYS A 113 114.038 -7.706 5.289 1.00 0.00 H new ATOM 0 HA CYS A 113 111.040 -7.882 5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.794 -7.269 3.152 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.090 -7.664 3.046 1.00 0.00 H new ATOM 1757 N SER A 114 111.201 -10.363 4.876 1.00 0.00 N ATOM 1758 CA SER A 114 111.441 -11.804 4.571 1.00 0.00 C ATOM 1759 C SER A 114 110.148 -12.622 4.651 1.00 0.00 C ATOM 1760 O SER A 114 109.088 -12.121 4.973 1.00 0.00 O ATOM 1761 CB SER A 114 112.433 -12.363 5.586 1.00 0.00 C ATOM 1762 OG SER A 114 111.740 -12.673 6.788 1.00 0.00 O ATOM 0 H SER A 114 110.277 -10.133 5.243 1.00 0.00 H new ATOM 0 HA SER A 114 111.831 -11.876 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.915 -13.256 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.221 -11.636 5.782 1.00 0.00 H new ATOM 0 HG SER A 114 112.371 -13.035 7.445 1.00 0.00 H new ATOM 1768 N LYS A 115 110.259 -13.894 4.369 1.00 0.00 N ATOM 1769 CA LYS A 115 109.091 -14.816 4.437 1.00 0.00 C ATOM 1770 C LYS A 115 109.618 -16.216 4.759 1.00 0.00 C ATOM 1771 O LYS A 115 110.791 -16.490 4.613 1.00 0.00 O ATOM 1772 CB LYS A 115 108.350 -14.863 3.098 1.00 0.00 C ATOM 1773 CG LYS A 115 107.581 -13.561 2.873 1.00 0.00 C ATOM 1774 CD LYS A 115 106.501 -13.790 1.808 1.00 0.00 C ATOM 1775 CE LYS A 115 107.158 -14.133 0.469 1.00 0.00 C ATOM 1776 NZ LYS A 115 106.115 -14.202 -0.595 1.00 0.00 N ATOM 0 H LYS A 115 111.132 -14.341 4.088 1.00 0.00 H new ATOM 0 HA LYS A 115 108.397 -14.464 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 115 109.061 -15.019 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.661 -15.708 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.124 -13.229 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.263 -12.773 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.839 -14.599 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.885 -12.897 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.903 -13.379 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.681 -15.086 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 106.542 -14.550 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 105.358 -14.850 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.717 -13.254 -0.753 1.00 0.00 H new ATOM 1790 N ASP A 116 108.773 -17.110 5.188 1.00 0.00 N ATOM 1791 CA ASP A 116 109.255 -18.487 5.496 1.00 0.00 C ATOM 1792 C ASP A 116 109.889 -19.091 4.234 1.00 0.00 C ATOM 1793 O ASP A 116 109.519 -18.761 3.124 1.00 0.00 O ATOM 1794 CB ASP A 116 108.075 -19.352 5.946 1.00 0.00 C ATOM 1795 CG ASP A 116 107.622 -18.909 7.338 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.374 -18.199 7.986 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.529 -19.283 7.730 1.00 0.00 O ATOM 0 H ASP A 116 107.777 -16.950 5.338 1.00 0.00 H new ATOM 0 HA ASP A 116 109.996 -18.449 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.252 -19.261 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.366 -20.402 5.963 1.00 0.00 H new ATOM 1802 N ASN A 117 110.836 -19.976 4.397 1.00 0.00 N ATOM 1803 CA ASN A 117 111.489 -20.601 3.205 1.00 0.00 C ATOM 1804 C ASN A 117 111.843 -19.512 2.187 1.00 0.00 C ATOM 1805 O ASN A 117 111.377 -19.535 1.069 1.00 0.00 O ATOM 1806 CB ASN A 117 110.527 -21.602 2.562 1.00 0.00 C ATOM 1807 CG ASN A 117 111.253 -22.371 1.457 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.276 -21.933 0.967 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.764 -23.507 1.040 1.00 0.00 N ATOM 0 H ASN A 117 111.186 -20.294 5.301 1.00 0.00 H new ATOM 0 HA ASN A 117 112.397 -21.117 3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.150 -22.295 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.664 -21.079 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.240 -24.027 0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.906 -23.874 1.451 1.00 0.00 H new ATOM 1816 N GLU A 118 112.680 -18.572 2.553 1.00 0.00 N ATOM 1817 CA GLU A 118 113.057 -17.490 1.594 1.00 0.00 C ATOM 1818 C GLU A 118 114.286 -16.733 2.106 1.00 0.00 C ATOM 1819 O GLU A 118 114.468 -16.558 3.294 1.00 0.00 O ATOM 1820 CB GLU A 118 111.894 -16.501 1.461 1.00 0.00 C ATOM 1821 CG GLU A 118 110.794 -17.086 0.570 1.00 0.00 C ATOM 1822 CD GLU A 118 109.966 -15.949 -0.028 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.236 -14.807 0.304 1.00 0.00 O ATOM 1824 OE2 GLU A 118 109.084 -16.239 -0.819 1.00 0.00 O ATOM 0 H GLU A 118 113.117 -18.508 3.472 1.00 0.00 H new ATOM 0 HA GLU A 118 113.284 -17.941 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.489 -16.272 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.253 -15.563 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.236 -17.686 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.154 -17.750 1.152 1.00 0.00 H new ATOM 1831 N LYS A 119 115.131 -16.275 1.216 1.00 0.00 N ATOM 1832 CA LYS A 119 116.345 -15.523 1.654 1.00 0.00 C ATOM 1833 C LYS A 119 115.909 -14.255 2.393 1.00 0.00 C ATOM 1834 O LYS A 119 115.020 -13.549 1.959 1.00 0.00 O ATOM 1835 CB LYS A 119 117.168 -15.133 0.418 1.00 0.00 C ATOM 1836 CG LYS A 119 117.493 -16.380 -0.409 1.00 0.00 C ATOM 1837 CD LYS A 119 118.561 -17.213 0.307 1.00 0.00 C ATOM 1838 CE LYS A 119 118.920 -18.431 -0.545 1.00 0.00 C ATOM 1839 NZ LYS A 119 119.960 -19.237 0.156 1.00 0.00 N ATOM 0 H LYS A 119 115.032 -16.389 0.207 1.00 0.00 H new ATOM 0 HA LYS A 119 116.948 -16.145 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.612 -14.419 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 119 118.090 -14.640 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 119 116.592 -16.976 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.848 -16.090 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.449 -16.607 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.193 -17.534 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.033 -19.038 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.288 -18.111 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 120.410 -19.886 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 120.679 -18.602 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 119.517 -19.786 0.920 1.00 0.00 H new ATOM 1853 N LYS A 120 116.517 -13.964 3.514 1.00 0.00 N ATOM 1854 CA LYS A 120 116.120 -12.747 4.284 1.00 0.00 C ATOM 1855 C LYS A 120 116.791 -11.501 3.694 1.00 0.00 C ATOM 1856 O LYS A 120 117.926 -11.539 3.258 1.00 0.00 O ATOM 1857 CB LYS A 120 116.535 -12.914 5.752 1.00 0.00 C ATOM 1858 CG LYS A 120 118.059 -12.837 5.878 1.00 0.00 C ATOM 1859 CD LYS A 120 118.465 -13.092 7.332 1.00 0.00 C ATOM 1860 CE LYS A 120 118.445 -14.597 7.617 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.142 -14.869 8.906 1.00 0.00 N ATOM 0 H LYS A 120 117.269 -14.514 3.929 1.00 0.00 H new ATOM 0 HA LYS A 120 115.039 -12.624 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.072 -12.137 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.178 -13.871 6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.526 -13.574 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.412 -11.857 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.461 -12.690 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.782 -12.575 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.417 -14.955 7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.933 -15.138 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 118.928 -15.838 9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.168 -14.766 8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.816 -14.193 9.626 1.00 0.00 H new ATOM 1875 N LEU A 121 116.091 -10.396 3.687 1.00 0.00 N ATOM 1876 CA LEU A 121 116.674 -9.134 3.139 1.00 0.00 C ATOM 1877 C LEU A 121 116.912 -8.153 4.292 1.00 0.00 C ATOM 1878 O LEU A 121 116.000 -7.816 5.023 1.00 0.00 O ATOM 1879 CB LEU A 121 115.693 -8.513 2.140 1.00 0.00 C ATOM 1880 CG LEU A 121 115.291 -9.557 1.097 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.272 -8.951 0.131 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.527 -10.005 0.314 1.00 0.00 C ATOM 0 H LEU A 121 115.137 -10.313 4.039 1.00 0.00 H new ATOM 0 HA LEU A 121 117.617 -9.350 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.809 -8.148 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.152 -7.654 1.651 1.00 0.00 H new ATOM 0 HG LEU A 121 114.849 -10.416 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 121 113.987 -9.696 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.389 -8.634 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.713 -8.090 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.238 -10.749 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 121 116.971 -9.145 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.254 -10.440 1.000 1.00 0.00 H new ATOM 1894 N VAL A 122 118.125 -7.694 4.475 1.00 0.00 N ATOM 1895 CA VAL A 122 118.403 -6.745 5.598 1.00 0.00 C ATOM 1896 C VAL A 122 118.706 -5.342 5.062 1.00 0.00 C ATOM 1897 O VAL A 122 119.513 -5.159 4.176 1.00 0.00 O ATOM 1898 CB VAL A 122 119.612 -7.243 6.397 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.070 -6.149 7.368 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.224 -8.499 7.192 1.00 0.00 C ATOM 0 H VAL A 122 118.932 -7.934 3.899 1.00 0.00 H new ATOM 0 HA VAL A 122 117.520 -6.697 6.236 1.00 0.00 H new ATOM 0 HB VAL A 122 120.423 -7.484 5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.930 -6.504 7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.349 -5.257 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.257 -5.907 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.086 -8.851 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.411 -8.259 7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.899 -9.279 6.504 1.00 0.00 H new ATOM 1910 N PHE A 123 118.065 -4.349 5.614 1.00 0.00 N ATOM 1911 CA PHE A 123 118.311 -2.942 5.176 1.00 0.00 C ATOM 1912 C PHE A 123 119.067 -2.228 6.298 1.00 0.00 C ATOM 1913 O PHE A 123 118.589 -2.160 7.403 1.00 0.00 O ATOM 1914 CB PHE A 123 116.959 -2.259 4.934 1.00 0.00 C ATOM 1915 CG PHE A 123 117.152 -0.771 4.764 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.799 -0.276 3.629 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.672 0.113 5.738 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.971 1.104 3.464 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.842 1.493 5.575 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.492 1.989 4.438 1.00 0.00 C ATOM 0 H PHE A 123 117.374 -4.451 6.357 1.00 0.00 H new ATOM 0 HA PHE A 123 118.895 -2.910 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.486 -2.676 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.290 -2.453 5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.167 -0.959 2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.171 -0.270 6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.472 1.485 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.472 2.175 6.326 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.624 3.054 4.312 1.00 0.00 H new ATOM 1930 N THR A 124 120.248 -1.719 6.042 1.00 0.00 N ATOM 1931 CA THR A 124 121.007 -1.048 7.146 1.00 0.00 C ATOM 1932 C THR A 124 121.663 0.257 6.678 1.00 0.00 C ATOM 1933 O THR A 124 122.208 0.356 5.589 1.00 0.00 O ATOM 1934 CB THR A 124 122.086 -2.003 7.659 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.588 -1.519 8.896 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.225 -2.087 6.642 1.00 0.00 C ATOM 0 H THR A 124 120.713 -1.737 5.134 1.00 0.00 H new ATOM 0 HA THR A 124 120.303 -0.799 7.940 1.00 0.00 H new ATOM 0 HB THR A 124 121.658 -2.995 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.279 -2.129 9.230 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.992 -2.768 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.838 -2.456 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.658 -1.097 6.498 1.00 0.00 H new ATOM 1944 N VAL A 125 121.647 1.250 7.533 1.00 0.00 N ATOM 1945 CA VAL A 125 122.294 2.554 7.205 1.00 0.00 C ATOM 1946 C VAL A 125 123.084 3.016 8.434 1.00 0.00 C ATOM 1947 O VAL A 125 122.827 2.572 9.544 1.00 0.00 O ATOM 1948 CB VAL A 125 121.223 3.591 6.849 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.202 2.964 5.897 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.510 4.054 8.121 1.00 0.00 C ATOM 0 H VAL A 125 121.208 1.210 8.453 1.00 0.00 H new ATOM 0 HA VAL A 125 122.961 2.441 6.351 1.00 0.00 H new ATOM 0 HB VAL A 125 121.697 4.446 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.440 3.701 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.706 2.636 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.732 2.108 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.749 4.791 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.038 3.199 8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.234 4.502 8.801 1.00 0.00 H new ATOM 1960 N GLU A 126 124.040 3.893 8.260 1.00 0.00 N ATOM 1961 CA GLU A 126 124.840 4.363 9.432 1.00 0.00 C ATOM 1962 C GLU A 126 124.796 5.890 9.531 1.00 0.00 C ATOM 1963 O GLU A 126 124.737 6.588 8.540 1.00 0.00 O ATOM 1964 CB GLU A 126 126.293 3.911 9.262 1.00 0.00 C ATOM 1965 CG GLU A 126 127.122 4.393 10.454 1.00 0.00 C ATOM 1966 CD GLU A 126 128.568 3.916 10.301 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.903 3.441 9.228 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.316 4.038 11.257 1.00 0.00 O ATOM 0 H GLU A 126 124.300 4.302 7.363 1.00 0.00 H new ATOM 0 HA GLU A 126 124.418 3.938 10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.340 2.825 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.703 4.311 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.092 5.481 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.699 4.010 11.383 1.00 0.00 H new ATOM 1975 N ALA A 127 124.825 6.410 10.730 1.00 0.00 N ATOM 1976 CA ALA A 127 124.789 7.889 10.905 1.00 0.00 C ATOM 1977 C ALA A 127 125.622 8.274 12.129 1.00 0.00 C ATOM 1978 O ALA A 127 125.291 7.823 13.214 1.00 0.00 O ATOM 1979 CB ALA A 127 123.343 8.349 11.107 1.00 0.00 C ATOM 1980 OXT ALA A 127 126.578 9.013 11.962 1.00 0.00 O ATOM 0 H ALA A 127 124.872 5.872 11.596 1.00 0.00 H new ATOM 0 HA ALA A 127 125.199 8.370 10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.320 9.431 11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.749 8.074 10.236 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.929 7.870 11.995 1.00 0.00 H new TER 1986 ALA A 127