USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 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 91 LYS NZ :NH3+ 173:sc= 0.0427 (180deg=0) USER MOD Set 1.2: A 93 THR OG1 : rot 139:sc= 0.4 USER MOD Set 2.1: A 27 ASN : amide:sc= -0.0514 K(o=-0.099,f=-0.66) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= -0.048 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00638 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0265 K(o=-0.026,f=-4.2!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.148 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= -0.042 (180deg=-0.25) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 25 GLN : amide:sc=-0.00352 X(o=-0.0035,f=-0.25) USER MOD Single : A 31 SER OG : rot 77:sc= 0.62 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -176:sc= -3.19! (180deg=-3.27!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.51! C(o=-1.5!,f=-3.2!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 177:sc= -2.93! (180deg=-2.95!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -160:sc= 0.0637 USER MOD Single : A 80 MET CE :methyl -158:sc= -1.62 (180deg=-2.33!) USER MOD Single : A 86 SER OG : rot -55:sc= 0.474 USER MOD Single : A 104 ASN : amide:sc= -0.495 X(o=-0.5,f=-0.065) USER MOD Single : A 105 ASN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 35:sc= 0.85 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.288 5.427 -19.831 1.00 0.00 N ATOM 2 CA GLY A 1 -12.101 5.236 -20.646 1.00 0.00 C ATOM 3 C GLY A 1 -11.404 6.570 -20.921 1.00 0.00 C ATOM 4 O GLY A 1 -12.049 7.544 -21.306 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.742 4.508 -19.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.020 5.856 -18.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.953 6.054 -20.327 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.413 4.560 -20.139 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.375 4.764 -21.589 1.00 0.00 H new ATOM 8 N SER A 2 -10.095 6.571 -20.714 1.00 0.00 N ATOM 9 CA SER A 2 -9.303 7.769 -20.935 1.00 0.00 C ATOM 10 C SER A 2 -7.817 7.456 -20.748 1.00 0.00 C ATOM 11 O SER A 2 -7.463 6.436 -20.159 1.00 0.00 O ATOM 12 CB SER A 2 -9.731 8.894 -19.990 1.00 0.00 C ATOM 13 OG SER A 2 -9.783 8.461 -18.633 1.00 0.00 O ATOM 0 H SER A 2 -9.563 5.761 -20.396 1.00 0.00 H new ATOM 0 HA SER A 2 -9.471 8.106 -21.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.033 9.727 -20.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.711 9.266 -20.290 1.00 0.00 H new ATOM 0 HG SER A 2 -10.058 9.208 -18.062 1.00 0.00 H new ATOM 19 N SER A 3 -6.988 8.352 -21.262 1.00 0.00 N ATOM 20 CA SER A 3 -5.548 8.184 -21.160 1.00 0.00 C ATOM 21 C SER A 3 -4.835 9.328 -21.884 1.00 0.00 C ATOM 22 O SER A 3 -5.371 9.895 -22.835 1.00 0.00 O ATOM 23 CB SER A 3 -5.108 6.836 -21.735 1.00 0.00 C ATOM 24 OG SER A 3 -3.692 6.746 -21.861 1.00 0.00 O ATOM 0 H SER A 3 -7.286 9.197 -21.750 1.00 0.00 H new ATOM 0 HA SER A 3 -5.276 8.204 -20.105 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.466 6.033 -21.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.569 6.691 -22.712 1.00 0.00 H new ATOM 0 HG SER A 3 -3.451 5.870 -22.230 1.00 0.00 H new ATOM 30 N GLY A 4 -3.637 9.633 -21.407 1.00 0.00 N ATOM 31 CA GLY A 4 -2.846 10.699 -21.997 1.00 0.00 C ATOM 32 C GLY A 4 -1.654 11.054 -21.106 1.00 0.00 C ATOM 33 O GLY A 4 -1.723 10.917 -19.886 1.00 0.00 O ATOM 0 H GLY A 4 -3.195 9.160 -20.619 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.491 10.392 -22.981 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.470 11.581 -22.145 1.00 0.00 H new ATOM 37 N SER A 5 -0.587 11.504 -21.751 1.00 0.00 N ATOM 38 CA SER A 5 0.619 11.880 -21.033 1.00 0.00 C ATOM 39 C SER A 5 1.637 12.485 -22.000 1.00 0.00 C ATOM 40 O SER A 5 1.993 11.864 -23.001 1.00 0.00 O ATOM 41 CB SER A 5 1.225 10.677 -20.307 1.00 0.00 C ATOM 42 OG SER A 5 2.160 11.072 -19.306 1.00 0.00 O ATOM 0 H SER A 5 -0.533 11.617 -22.763 1.00 0.00 H new ATOM 0 HA SER A 5 0.353 12.626 -20.284 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.428 10.092 -19.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.720 10.029 -21.030 1.00 0.00 H new ATOM 0 HG SER A 5 2.523 10.276 -18.865 1.00 0.00 H new ATOM 48 N SER A 6 2.078 13.689 -21.669 1.00 0.00 N ATOM 49 CA SER A 6 3.049 14.385 -22.496 1.00 0.00 C ATOM 50 C SER A 6 3.613 15.590 -21.740 1.00 0.00 C ATOM 51 O SER A 6 3.098 15.963 -20.687 1.00 0.00 O ATOM 52 CB SER A 6 2.424 14.834 -23.819 1.00 0.00 C ATOM 53 OG SER A 6 1.520 15.921 -23.640 1.00 0.00 O ATOM 0 H SER A 6 1.781 14.201 -20.839 1.00 0.00 H new ATOM 0 HA SER A 6 3.861 13.695 -22.724 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.213 15.129 -24.511 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.897 13.995 -24.274 1.00 0.00 H new ATOM 0 HG SER A 6 1.143 16.180 -24.507 1.00 0.00 H new ATOM 59 N GLY A 7 4.664 16.164 -22.306 1.00 0.00 N ATOM 60 CA GLY A 7 5.304 17.319 -21.699 1.00 0.00 C ATOM 61 C GLY A 7 6.816 17.115 -21.593 1.00 0.00 C ATOM 62 O GLY A 7 7.591 17.885 -22.159 1.00 0.00 O ATOM 0 H GLY A 7 5.089 15.851 -23.179 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.094 18.209 -22.292 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.886 17.491 -20.707 1.00 0.00 H new ATOM 66 N ASP A 8 7.191 16.075 -20.863 1.00 0.00 N ATOM 67 CA ASP A 8 8.597 15.760 -20.676 1.00 0.00 C ATOM 68 C ASP A 8 9.324 16.994 -20.137 1.00 0.00 C ATOM 69 O ASP A 8 10.057 17.656 -20.870 1.00 0.00 O ATOM 70 CB ASP A 8 9.255 15.365 -21.999 1.00 0.00 C ATOM 71 CG ASP A 8 9.232 13.867 -22.310 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.198 13.413 -22.847 1.00 0.00 O ATOM 73 OD2 ASP A 8 10.250 13.209 -22.004 1.00 0.00 O ATOM 0 H ASP A 8 6.546 15.440 -20.394 1.00 0.00 H new ATOM 0 HA ASP A 8 8.665 14.926 -19.977 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.756 15.897 -22.809 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.291 15.703 -21.987 1.00 0.00 H new ATOM 78 N ASP A 9 9.096 17.265 -18.861 1.00 0.00 N ATOM 79 CA ASP A 9 9.720 18.408 -18.215 1.00 0.00 C ATOM 80 C ASP A 9 9.353 18.413 -16.730 1.00 0.00 C ATOM 81 O ASP A 9 8.177 18.485 -16.378 1.00 0.00 O ATOM 82 CB ASP A 9 9.231 19.722 -18.828 1.00 0.00 C ATOM 83 CG ASP A 9 9.815 20.987 -18.196 1.00 0.00 C ATOM 84 OD1 ASP A 9 10.995 20.925 -17.789 1.00 0.00 O ATOM 85 OD2 ASP A 9 9.068 21.987 -18.135 1.00 0.00 O ATOM 0 H ASP A 9 8.488 16.713 -18.256 1.00 0.00 H new ATOM 0 HA ASP A 9 10.798 18.325 -18.352 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.471 19.721 -19.891 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.145 19.761 -18.747 1.00 0.00 H new ATOM 90 N ASN A 10 10.382 18.336 -15.899 1.00 0.00 N ATOM 91 CA ASN A 10 10.182 18.331 -14.460 1.00 0.00 C ATOM 92 C ASN A 10 9.460 19.614 -14.044 1.00 0.00 C ATOM 93 O ASN A 10 8.571 19.583 -13.195 1.00 0.00 O ATOM 94 CB ASN A 10 11.520 18.279 -13.718 1.00 0.00 C ATOM 95 CG ASN A 10 12.519 19.268 -14.322 1.00 0.00 C ATOM 96 OD1 ASN A 10 12.923 19.161 -15.468 1.00 0.00 O ATOM 97 ND2 ASN A 10 12.895 20.234 -13.488 1.00 0.00 N ATOM 0 H ASN A 10 11.356 18.277 -16.195 1.00 0.00 H new ATOM 0 HA ASN A 10 9.593 17.450 -14.205 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.365 18.511 -12.664 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.928 17.269 -13.766 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.560 20.943 -13.796 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.518 20.265 -12.541 1.00 0.00 H new ATOM 104 N GLU A 11 9.871 20.712 -14.662 1.00 0.00 N ATOM 105 CA GLU A 11 9.274 22.004 -14.367 1.00 0.00 C ATOM 106 C GLU A 11 7.760 21.950 -14.580 1.00 0.00 C ATOM 107 O GLU A 11 6.992 22.359 -13.710 1.00 0.00 O ATOM 108 CB GLU A 11 9.908 23.107 -15.217 1.00 0.00 C ATOM 109 CG GLU A 11 10.885 23.943 -14.388 1.00 0.00 C ATOM 110 CD GLU A 11 12.221 23.217 -14.218 1.00 0.00 C ATOM 111 OE1 GLU A 11 12.672 22.617 -15.218 1.00 0.00 O ATOM 112 OE2 GLU A 11 12.762 23.279 -13.093 1.00 0.00 O ATOM 0 H GLU A 11 10.610 20.734 -15.365 1.00 0.00 H new ATOM 0 HA GLU A 11 9.466 22.241 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.431 22.663 -16.064 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.128 23.750 -15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.049 24.905 -14.874 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.452 24.150 -13.409 1.00 0.00 H new ATOM 119 N ARG A 12 7.375 21.442 -15.742 1.00 0.00 N ATOM 120 CA ARG A 12 5.966 21.330 -16.080 1.00 0.00 C ATOM 121 C ARG A 12 5.282 20.307 -15.170 1.00 0.00 C ATOM 122 O ARG A 12 4.197 20.562 -14.650 1.00 0.00 O ATOM 123 CB ARG A 12 5.782 20.907 -17.539 1.00 0.00 C ATOM 124 CG ARG A 12 4.504 21.508 -18.126 1.00 0.00 C ATOM 125 CD ARG A 12 4.139 20.835 -19.451 1.00 0.00 C ATOM 126 NE ARG A 12 3.751 21.857 -20.448 1.00 0.00 N ATOM 127 CZ ARG A 12 3.288 21.573 -21.673 1.00 0.00 C ATOM 128 NH1 ARG A 12 3.153 20.297 -22.060 1.00 0.00 N ATOM 129 NH2 ARG A 12 2.961 22.565 -22.512 1.00 0.00 N ATOM 0 H ARG A 12 8.014 21.103 -16.461 1.00 0.00 H new ATOM 0 HA ARG A 12 5.511 22.310 -15.937 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.642 21.228 -18.126 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.740 19.820 -17.604 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.684 21.391 -17.417 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.640 22.578 -18.283 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.987 20.258 -19.821 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.318 20.134 -19.298 1.00 0.00 H new ATOM 0 HE ARG A 12 3.842 22.839 -20.187 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.403 19.541 -21.422 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.800 20.081 -22.993 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.065 23.536 -22.218 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.609 22.349 -23.444 1.00 0.00 H new ATOM 143 N LEU A 13 5.945 19.172 -15.005 1.00 0.00 N ATOM 144 CA LEU A 13 5.414 18.111 -14.167 1.00 0.00 C ATOM 145 C LEU A 13 4.917 18.708 -12.849 1.00 0.00 C ATOM 146 O LEU A 13 3.770 19.142 -12.753 1.00 0.00 O ATOM 147 CB LEU A 13 6.452 17.001 -13.986 1.00 0.00 C ATOM 148 CG LEU A 13 6.658 16.074 -15.186 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.936 15.248 -15.028 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.430 15.190 -15.413 1.00 0.00 C ATOM 0 H LEU A 13 6.845 18.964 -15.437 1.00 0.00 H new ATOM 0 HA LEU A 13 4.557 17.639 -14.647 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.409 17.462 -13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.160 16.394 -13.129 1.00 0.00 H new ATOM 0 HG LEU A 13 6.781 16.691 -16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.058 14.598 -15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.794 15.916 -14.952 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.867 14.641 -14.125 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.603 14.541 -16.272 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.252 14.580 -14.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.560 15.818 -15.602 1.00 0.00 H new ATOM 162 N SER A 14 5.805 18.711 -11.865 1.00 0.00 N ATOM 163 CA SER A 14 5.471 19.248 -10.557 1.00 0.00 C ATOM 164 C SER A 14 4.361 18.411 -9.916 1.00 0.00 C ATOM 165 O SER A 14 4.623 17.341 -9.369 1.00 0.00 O ATOM 166 CB SER A 14 5.041 20.713 -10.656 1.00 0.00 C ATOM 167 OG SER A 14 4.534 21.205 -9.419 1.00 0.00 O ATOM 0 H SER A 14 6.755 18.350 -11.948 1.00 0.00 H new ATOM 0 HA SER A 14 6.362 19.201 -9.930 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.891 21.320 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.278 20.815 -11.427 1.00 0.00 H new ATOM 0 HG SER A 14 4.272 22.144 -9.523 1.00 0.00 H new ATOM 173 N LYS A 15 3.146 18.931 -10.006 1.00 0.00 N ATOM 174 CA LYS A 15 1.995 18.246 -9.441 1.00 0.00 C ATOM 175 C LYS A 15 2.086 16.754 -9.767 1.00 0.00 C ATOM 176 O LYS A 15 2.032 15.914 -8.870 1.00 0.00 O ATOM 177 CB LYS A 15 0.696 18.901 -9.914 1.00 0.00 C ATOM 178 CG LYS A 15 -0.424 17.867 -10.044 1.00 0.00 C ATOM 179 CD LYS A 15 -1.791 18.504 -9.790 1.00 0.00 C ATOM 180 CE LYS A 15 -2.792 17.469 -9.273 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.474 17.968 -8.058 1.00 0.00 N ATOM 0 H LYS A 15 2.933 19.818 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 15 1.992 18.336 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.399 19.678 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.859 19.388 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.404 17.427 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.259 17.056 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.691 19.312 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.166 18.948 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.528 17.249 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.276 16.535 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.150 17.253 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.769 18.155 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.983 18.847 -8.282 1.00 0.00 H new ATOM 195 N VAL A 16 2.221 16.469 -11.054 1.00 0.00 N ATOM 196 CA VAL A 16 2.319 15.093 -11.510 1.00 0.00 C ATOM 197 C VAL A 16 3.568 14.448 -10.905 1.00 0.00 C ATOM 198 O VAL A 16 3.483 13.398 -10.270 1.00 0.00 O ATOM 199 CB VAL A 16 2.302 15.045 -13.039 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.202 13.603 -13.541 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.167 15.902 -13.601 1.00 0.00 C ATOM 0 H VAL A 16 2.265 17.168 -11.796 1.00 0.00 H new ATOM 0 HA VAL A 16 1.458 14.516 -11.171 1.00 0.00 H new ATOM 0 HB VAL A 16 3.244 15.460 -13.398 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.192 13.597 -14.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.059 13.033 -13.183 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.284 13.150 -13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.177 15.851 -14.690 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.212 15.531 -13.229 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.302 16.937 -13.285 1.00 0.00 H new ATOM 211 N GLU A 17 4.698 15.103 -11.124 1.00 0.00 N ATOM 212 CA GLU A 17 5.963 14.607 -10.609 1.00 0.00 C ATOM 213 C GLU A 17 5.804 14.156 -9.156 1.00 0.00 C ATOM 214 O GLU A 17 6.512 13.260 -8.699 1.00 0.00 O ATOM 215 CB GLU A 17 7.060 15.666 -10.738 1.00 0.00 C ATOM 216 CG GLU A 17 8.219 15.153 -11.596 1.00 0.00 C ATOM 217 CD GLU A 17 9.455 14.875 -10.739 1.00 0.00 C ATOM 218 OE1 GLU A 17 9.493 13.781 -10.135 1.00 0.00 O ATOM 219 OE2 GLU A 17 10.335 15.762 -10.707 1.00 0.00 O ATOM 0 H GLU A 17 4.764 15.974 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 17 6.263 13.745 -11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.646 16.571 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.428 15.937 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.918 14.242 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.462 15.889 -12.363 1.00 0.00 H new ATOM 226 N LYS A 18 4.870 14.797 -8.469 1.00 0.00 N ATOM 227 CA LYS A 18 4.609 14.473 -7.077 1.00 0.00 C ATOM 228 C LYS A 18 3.777 13.191 -7.004 1.00 0.00 C ATOM 229 O LYS A 18 4.176 12.224 -6.357 1.00 0.00 O ATOM 230 CB LYS A 18 3.968 15.664 -6.361 1.00 0.00 C ATOM 231 CG LYS A 18 4.939 16.285 -5.355 1.00 0.00 C ATOM 232 CD LYS A 18 4.596 15.858 -3.926 1.00 0.00 C ATOM 233 CE LYS A 18 4.544 14.333 -3.808 1.00 0.00 C ATOM 234 NZ LYS A 18 5.911 13.770 -3.751 1.00 0.00 N ATOM 0 H LYS A 18 4.284 15.540 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 18 5.543 14.278 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.667 16.414 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.063 15.340 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.959 15.982 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.903 17.372 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.340 16.255 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.634 16.282 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.991 14.050 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.007 13.915 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.955 12.906 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.589 14.467 -4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.151 13.540 -2.766 1.00 0.00 H new ATOM 248 N ALA A 19 2.635 13.225 -7.676 1.00 0.00 N ATOM 249 CA ALA A 19 1.744 12.078 -7.696 1.00 0.00 C ATOM 250 C ALA A 19 2.509 10.852 -8.196 1.00 0.00 C ATOM 251 O ALA A 19 2.487 9.800 -7.558 1.00 0.00 O ATOM 252 CB ALA A 19 0.522 12.396 -8.560 1.00 0.00 C ATOM 0 H ALA A 19 2.307 14.029 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 19 1.384 11.854 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.147 11.535 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.003 13.256 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.844 12.623 -9.576 1.00 0.00 H new ATOM 258 N ARG A 20 3.166 11.027 -9.333 1.00 0.00 N ATOM 259 CA ARG A 20 3.936 9.947 -9.926 1.00 0.00 C ATOM 260 C ARG A 20 4.797 9.262 -8.862 1.00 0.00 C ATOM 261 O ARG A 20 4.668 8.060 -8.633 1.00 0.00 O ATOM 262 CB ARG A 20 4.840 10.466 -11.046 1.00 0.00 C ATOM 263 CG ARG A 20 4.490 9.807 -12.382 1.00 0.00 C ATOM 264 CD ARG A 20 5.541 10.133 -13.446 1.00 0.00 C ATOM 265 NE ARG A 20 5.405 9.205 -14.591 1.00 0.00 N ATOM 266 CZ ARG A 20 4.386 9.229 -15.461 1.00 0.00 C ATOM 267 NH1 ARG A 20 3.407 10.133 -15.321 1.00 0.00 N ATOM 268 NH2 ARG A 20 4.346 8.349 -16.470 1.00 0.00 N ATOM 0 H ARG A 20 3.181 11.901 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 20 3.231 9.229 -10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.735 11.548 -11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.883 10.265 -10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.422 8.727 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.511 10.150 -12.716 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.421 11.162 -13.785 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.541 10.053 -13.019 1.00 0.00 H new ATOM 0 HE ARG A 20 6.133 8.503 -14.726 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.437 10.803 -14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.631 10.151 -15.983 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.091 7.661 -16.576 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.570 8.367 -17.132 1.00 0.00 H new ATOM 282 N GLN A 21 5.656 10.056 -8.240 1.00 0.00 N ATOM 283 CA GLN A 21 6.537 9.542 -7.206 1.00 0.00 C ATOM 284 C GLN A 21 5.719 8.906 -6.079 1.00 0.00 C ATOM 285 O GLN A 21 5.952 7.756 -5.711 1.00 0.00 O ATOM 286 CB GLN A 21 7.451 10.644 -6.666 1.00 0.00 C ATOM 287 CG GLN A 21 8.480 11.066 -7.716 1.00 0.00 C ATOM 288 CD GLN A 21 9.601 11.894 -7.083 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.379 12.736 -6.229 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.813 11.608 -7.550 1.00 0.00 N ATOM 0 H GLN A 21 5.760 11.052 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 21 7.172 8.773 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.852 11.506 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.963 10.291 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.901 10.181 -8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.990 11.647 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.927 10.891 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.628 12.106 -7.192 1.00 0.00 H new ATOM 299 N LEU A 22 4.779 9.684 -5.563 1.00 0.00 N ATOM 300 CA LEU A 22 3.925 9.211 -4.486 1.00 0.00 C ATOM 301 C LEU A 22 3.382 7.826 -4.842 1.00 0.00 C ATOM 302 O LEU A 22 3.555 6.874 -4.083 1.00 0.00 O ATOM 303 CB LEU A 22 2.835 10.239 -4.177 1.00 0.00 C ATOM 304 CG LEU A 22 3.278 11.469 -3.383 1.00 0.00 C ATOM 305 CD1 LEU A 22 2.109 12.432 -3.166 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.937 11.061 -2.063 1.00 0.00 C ATOM 0 H LEU A 22 4.590 10.638 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 22 4.498 9.101 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.404 10.576 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.040 9.740 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 22 4.029 12.001 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.451 13.298 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.724 12.760 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.318 11.925 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.243 11.954 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.226 10.494 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.812 10.444 -2.268 1.00 0.00 H new ATOM 318 N ARG A 23 2.736 7.758 -5.997 1.00 0.00 N ATOM 319 CA ARG A 23 2.166 6.505 -6.463 1.00 0.00 C ATOM 320 C ARG A 23 3.110 5.343 -6.149 1.00 0.00 C ATOM 321 O ARG A 23 2.671 4.282 -5.707 1.00 0.00 O ATOM 322 CB ARG A 23 1.902 6.546 -7.969 1.00 0.00 C ATOM 323 CG ARG A 23 0.626 7.330 -8.281 1.00 0.00 C ATOM 324 CD ARG A 23 0.309 7.288 -9.777 1.00 0.00 C ATOM 325 NE ARG A 23 0.406 5.898 -10.276 1.00 0.00 N ATOM 326 CZ ARG A 23 1.537 5.340 -10.729 1.00 0.00 C ATOM 327 NH1 ARG A 23 2.673 6.050 -10.748 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.532 4.072 -11.163 1.00 0.00 N ATOM 0 H ARG A 23 2.595 8.550 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 23 1.219 6.359 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.749 7.006 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.812 5.530 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.208 6.913 -7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.743 8.365 -7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.693 7.678 -9.956 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.003 7.928 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.441 5.329 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.677 7.015 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.534 5.625 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.667 3.531 -11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.393 3.648 -11.508 1.00 0.00 H new ATOM 342 N GLU A 24 4.391 5.582 -6.389 1.00 0.00 N ATOM 343 CA GLU A 24 5.402 4.569 -6.137 1.00 0.00 C ATOM 344 C GLU A 24 5.476 4.252 -4.642 1.00 0.00 C ATOM 345 O GLU A 24 5.455 3.087 -4.249 1.00 0.00 O ATOM 346 CB GLU A 24 6.766 5.009 -6.673 1.00 0.00 C ATOM 347 CG GLU A 24 6.649 5.534 -8.105 1.00 0.00 C ATOM 348 CD GLU A 24 7.856 5.110 -8.944 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.295 3.954 -8.764 1.00 0.00 O ATOM 350 OE2 GLU A 24 8.313 5.952 -9.747 1.00 0.00 O ATOM 0 H GLU A 24 4.752 6.463 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 24 5.117 3.660 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.180 5.786 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.460 4.169 -6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.734 5.156 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.574 6.621 -8.093 1.00 0.00 H new ATOM 357 N GLN A 25 5.561 5.311 -3.850 1.00 0.00 N ATOM 358 CA GLN A 25 5.638 5.161 -2.406 1.00 0.00 C ATOM 359 C GLN A 25 4.422 4.391 -1.887 1.00 0.00 C ATOM 360 O GLN A 25 4.566 3.440 -1.119 1.00 0.00 O ATOM 361 CB GLN A 25 5.759 6.522 -1.719 1.00 0.00 C ATOM 362 CG GLN A 25 7.196 6.779 -1.260 1.00 0.00 C ATOM 363 CD GLN A 25 7.222 7.415 0.131 1.00 0.00 C ATOM 364 OE1 GLN A 25 6.913 6.791 1.133 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.607 8.688 0.136 1.00 0.00 N ATOM 0 H GLN A 25 5.578 6.276 -4.180 1.00 0.00 H new ATOM 0 HA GLN A 25 6.535 4.589 -2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.447 7.309 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.087 6.562 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.750 5.840 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.698 7.434 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.852 9.150 -0.740 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.657 9.202 1.016 1.00 0.00 H new ATOM 374 N VAL A 26 3.252 4.829 -2.327 1.00 0.00 N ATOM 375 CA VAL A 26 2.012 4.193 -1.916 1.00 0.00 C ATOM 376 C VAL A 26 2.007 2.739 -2.392 1.00 0.00 C ATOM 377 O VAL A 26 1.812 1.822 -1.596 1.00 0.00 O ATOM 378 CB VAL A 26 0.816 4.995 -2.433 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.498 4.265 -2.149 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.801 6.404 -1.836 1.00 0.00 C ATOM 0 H VAL A 26 3.136 5.617 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 26 1.932 4.180 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 26 0.919 5.090 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.332 4.857 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.489 3.294 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.611 4.124 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.059 6.953 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.734 6.338 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.717 6.926 -2.112 1.00 0.00 H new ATOM 390 N ASN A 27 2.225 2.574 -3.689 1.00 0.00 N ATOM 391 CA ASN A 27 2.249 1.247 -4.280 1.00 0.00 C ATOM 392 C ASN A 27 3.144 0.334 -3.440 1.00 0.00 C ATOM 393 O ASN A 27 2.677 -0.656 -2.881 1.00 0.00 O ATOM 394 CB ASN A 27 2.815 1.287 -5.701 1.00 0.00 C ATOM 395 CG ASN A 27 3.111 -0.124 -6.214 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.424 -1.082 -5.901 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.169 -0.197 -7.015 1.00 0.00 N ATOM 0 H ASN A 27 2.386 3.337 -4.346 1.00 0.00 H new ATOM 0 HA ASN A 27 1.226 0.873 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.104 1.778 -6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.728 1.882 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.450 -1.095 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.700 0.645 -7.236 1.00 0.00 H new ATOM 404 N ASP A 28 4.416 0.701 -3.378 1.00 0.00 N ATOM 405 CA ASP A 28 5.381 -0.072 -2.615 1.00 0.00 C ATOM 406 C ASP A 28 4.883 -0.225 -1.176 1.00 0.00 C ATOM 407 O ASP A 28 4.853 -1.332 -0.641 1.00 0.00 O ATOM 408 CB ASP A 28 6.740 0.630 -2.573 1.00 0.00 C ATOM 409 CG ASP A 28 7.951 -0.297 -2.686 1.00 0.00 C ATOM 410 OD1 ASP A 28 7.736 -1.525 -2.597 1.00 0.00 O ATOM 411 OD2 ASP A 28 9.065 0.243 -2.860 1.00 0.00 O ATOM 0 H ASP A 28 4.800 1.523 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 28 5.492 -1.043 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.781 1.357 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.815 1.188 -1.640 1.00 0.00 H new ATOM 416 N LEU A 29 4.505 0.902 -0.592 1.00 0.00 N ATOM 417 CA LEU A 29 4.010 0.907 0.774 1.00 0.00 C ATOM 418 C LEU A 29 3.087 -0.295 0.982 1.00 0.00 C ATOM 419 O LEU A 29 3.408 -1.205 1.745 1.00 0.00 O ATOM 420 CB LEU A 29 3.354 2.250 1.101 1.00 0.00 C ATOM 421 CG LEU A 29 2.243 2.215 2.153 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.782 1.745 3.505 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.543 3.572 2.255 1.00 0.00 C ATOM 0 H LEU A 29 4.531 1.818 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 29 4.835 0.801 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.129 2.937 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.943 2.665 0.181 1.00 0.00 H new ATOM 0 HG LEU A 29 1.495 1.489 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.972 1.729 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.197 0.742 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.561 2.428 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.758 3.521 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.268 4.335 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.104 3.828 1.291 1.00 0.00 H new ATOM 435 N PHE A 30 1.957 -0.260 0.290 1.00 0.00 N ATOM 436 CA PHE A 30 0.985 -1.336 0.389 1.00 0.00 C ATOM 437 C PHE A 30 1.647 -2.696 0.158 1.00 0.00 C ATOM 438 O PHE A 30 1.375 -3.653 0.881 1.00 0.00 O ATOM 439 CB PHE A 30 -0.058 -1.097 -0.704 1.00 0.00 C ATOM 440 CG PHE A 30 -0.972 0.101 -0.442 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.427 0.347 0.816 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.329 0.921 -1.466 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.275 1.459 1.060 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.177 2.034 -1.223 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.632 2.279 0.035 1.00 0.00 C ATOM 0 H PHE A 30 1.693 0.496 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 30 0.538 -1.344 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.455 -0.949 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.671 -1.992 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.143 -0.304 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.968 0.726 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.637 1.654 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.460 2.685 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.277 3.125 0.220 1.00 0.00 H new ATOM 455 N SER A 31 2.503 -2.738 -0.852 1.00 0.00 N ATOM 456 CA SER A 31 3.206 -3.965 -1.187 1.00 0.00 C ATOM 457 C SER A 31 4.019 -4.447 0.016 1.00 0.00 C ATOM 458 O SER A 31 3.963 -5.622 0.376 1.00 0.00 O ATOM 459 CB SER A 31 4.119 -3.764 -2.398 1.00 0.00 C ATOM 460 OG SER A 31 3.540 -2.889 -3.363 1.00 0.00 O ATOM 0 H SER A 31 2.726 -1.942 -1.450 1.00 0.00 H new ATOM 0 HA SER A 31 2.467 -4.723 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.075 -3.358 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.325 -4.729 -2.861 1.00 0.00 H new ATOM 0 HG SER A 31 3.620 -1.962 -3.054 1.00 0.00 H new ATOM 466 N ARG A 32 4.755 -3.516 0.604 1.00 0.00 N ATOM 467 CA ARG A 32 5.578 -3.832 1.759 1.00 0.00 C ATOM 468 C ARG A 32 4.723 -4.448 2.868 1.00 0.00 C ATOM 469 O ARG A 32 4.887 -5.620 3.204 1.00 0.00 O ATOM 470 CB ARG A 32 6.275 -2.581 2.297 1.00 0.00 C ATOM 471 CG ARG A 32 7.796 -2.748 2.277 1.00 0.00 C ATOM 472 CD ARG A 32 8.497 -1.389 2.248 1.00 0.00 C ATOM 473 NE ARG A 32 9.946 -1.571 2.008 1.00 0.00 N ATOM 474 CZ ARG A 32 10.837 -0.571 1.997 1.00 0.00 C ATOM 475 NH1 ARG A 32 10.434 0.689 2.212 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.132 -0.830 1.770 1.00 0.00 N ATOM 0 H ARG A 32 4.799 -2.543 0.302 1.00 0.00 H new ATOM 0 HA ARG A 32 6.336 -4.548 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.993 -1.717 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.941 -2.384 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.115 -3.307 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.090 -3.331 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.066 -0.765 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.339 -0.869 3.193 1.00 0.00 H new ATOM 0 HE ARG A 32 10.288 -2.517 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.448 0.887 2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.113 1.450 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.439 -1.789 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.811 -0.068 1.762 1.00 0.00 H new ATOM 490 N LYS A 33 3.829 -3.631 3.405 1.00 0.00 N ATOM 491 CA LYS A 33 2.948 -4.082 4.469 1.00 0.00 C ATOM 492 C LYS A 33 2.316 -5.417 4.071 1.00 0.00 C ATOM 493 O LYS A 33 2.410 -6.397 4.809 1.00 0.00 O ATOM 494 CB LYS A 33 1.927 -2.996 4.814 1.00 0.00 C ATOM 495 CG LYS A 33 2.621 -1.732 5.324 1.00 0.00 C ATOM 496 CD LYS A 33 3.046 -1.891 6.785 1.00 0.00 C ATOM 497 CE LYS A 33 3.877 -0.693 7.248 1.00 0.00 C ATOM 498 NZ LYS A 33 4.904 -1.120 8.224 1.00 0.00 N ATOM 0 H LYS A 33 3.696 -2.660 3.123 1.00 0.00 H new ATOM 0 HA LYS A 33 3.514 -4.258 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.332 -2.758 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.238 -3.368 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.495 -1.519 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.948 -0.880 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.163 -1.991 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.626 -2.807 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.356 -0.222 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.226 0.055 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.459 -0.294 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.441 -1.549 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.535 -1.817 7.781 1.00 0.00 H new ATOM 512 N PHE A 34 1.686 -5.413 2.905 1.00 0.00 N ATOM 513 CA PHE A 34 1.038 -6.612 2.400 1.00 0.00 C ATOM 514 C PHE A 34 1.893 -7.852 2.671 1.00 0.00 C ATOM 515 O PHE A 34 1.372 -8.898 3.052 1.00 0.00 O ATOM 516 CB PHE A 34 0.883 -6.433 0.889 1.00 0.00 C ATOM 517 CG PHE A 34 0.252 -7.635 0.182 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.997 -8.047 0.526 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.941 -8.290 -0.791 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.583 -9.162 -0.130 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.355 -9.405 -1.447 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.894 -9.817 -1.102 1.00 0.00 C ATOM 0 H PHE A 34 1.611 -4.599 2.296 1.00 0.00 H new ATOM 0 HA PHE A 34 0.076 -6.752 2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.272 -5.551 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.864 -6.242 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.544 -7.526 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.933 -7.962 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.575 -9.489 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.901 -9.926 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.339 -10.665 -1.601 1.00 0.00 H new ATOM 532 N GLY A 35 3.192 -7.693 2.462 1.00 0.00 N ATOM 533 CA GLY A 35 4.124 -8.786 2.679 1.00 0.00 C ATOM 534 C GLY A 35 3.828 -9.506 3.996 1.00 0.00 C ATOM 535 O GLY A 35 3.861 -10.734 4.058 1.00 0.00 O ATOM 0 H GLY A 35 3.621 -6.824 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.060 -9.493 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.144 -8.402 2.692 1.00 0.00 H new ATOM 539 N GLU A 36 3.547 -8.710 5.018 1.00 0.00 N ATOM 540 CA GLU A 36 3.246 -9.256 6.331 1.00 0.00 C ATOM 541 C GLU A 36 2.007 -10.150 6.262 1.00 0.00 C ATOM 542 O GLU A 36 1.988 -11.237 6.838 1.00 0.00 O ATOM 543 CB GLU A 36 3.060 -8.139 7.359 1.00 0.00 C ATOM 544 CG GLU A 36 4.258 -7.187 7.357 1.00 0.00 C ATOM 545 CD GLU A 36 5.373 -7.705 8.268 1.00 0.00 C ATOM 546 OE1 GLU A 36 6.108 -8.605 7.809 1.00 0.00 O ATOM 547 OE2 GLU A 36 5.464 -7.189 9.403 1.00 0.00 O ATOM 0 H GLU A 36 3.521 -7.692 4.963 1.00 0.00 H new ATOM 0 HA GLU A 36 4.091 -9.864 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.149 -7.583 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.936 -8.571 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.636 -7.075 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.942 -6.198 7.690 1.00 0.00 H new ATOM 554 N ALA A 37 1.001 -9.659 5.553 1.00 0.00 N ATOM 555 CA ALA A 37 -0.240 -10.400 5.402 1.00 0.00 C ATOM 556 C ALA A 37 0.067 -11.794 4.852 1.00 0.00 C ATOM 557 O ALA A 37 -0.709 -12.728 5.047 1.00 0.00 O ATOM 558 CB ALA A 37 -1.197 -9.616 4.502 1.00 0.00 C ATOM 0 H ALA A 37 1.020 -8.757 5.077 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.731 -10.527 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.128 -10.172 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.406 -8.645 4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.740 -9.471 3.523 1.00 0.00 H new ATOM 564 N ILE A 38 1.202 -11.891 4.174 1.00 0.00 N ATOM 565 CA ILE A 38 1.622 -13.155 3.594 1.00 0.00 C ATOM 566 C ILE A 38 2.896 -13.634 4.292 1.00 0.00 C ATOM 567 O ILE A 38 3.606 -14.494 3.774 1.00 0.00 O ATOM 568 CB ILE A 38 1.762 -13.028 2.076 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.258 -11.634 1.686 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.452 -13.387 1.372 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.297 -11.470 0.166 1.00 0.00 C ATOM 0 H ILE A 38 1.843 -11.114 4.014 1.00 0.00 H new ATOM 0 HA ILE A 38 0.863 -13.920 3.757 1.00 0.00 H new ATOM 0 HB ILE A 38 2.514 -13.743 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.605 -10.877 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.254 -11.470 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.579 -13.288 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.179 -14.415 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.337 -12.714 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.653 -10.470 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.970 -12.212 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.296 -11.610 -0.241 1.00 0.00 H new ATOM 583 N GLY A 39 3.148 -13.054 5.456 1.00 0.00 N ATOM 584 CA GLY A 39 4.325 -13.411 6.230 1.00 0.00 C ATOM 585 C GLY A 39 5.593 -13.303 5.381 1.00 0.00 C ATOM 586 O GLY A 39 6.623 -13.884 5.720 1.00 0.00 O ATOM 0 H GLY A 39 2.558 -12.340 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.407 -12.756 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.221 -14.428 6.608 1.00 0.00 H new ATOM 590 N MET A 40 5.477 -12.556 4.292 1.00 0.00 N ATOM 591 CA MET A 40 6.601 -12.365 3.392 1.00 0.00 C ATOM 592 C MET A 40 7.606 -11.369 3.973 1.00 0.00 C ATOM 593 O MET A 40 7.250 -10.539 4.809 1.00 0.00 O ATOM 594 CB MET A 40 6.093 -11.851 2.043 1.00 0.00 C ATOM 595 CG MET A 40 5.099 -12.834 1.421 1.00 0.00 C ATOM 596 SD MET A 40 5.978 -14.147 0.591 1.00 0.00 S ATOM 597 CE MET A 40 5.187 -14.088 -1.008 1.00 0.00 C ATOM 0 H MET A 40 4.621 -12.076 4.013 1.00 0.00 H new ATOM 0 HA MET A 40 7.104 -13.323 3.260 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.615 -10.880 2.176 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.934 -11.702 1.366 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.453 -13.250 2.195 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.454 -12.313 0.714 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.569 -14.895 -1.633 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.110 -14.203 -0.886 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.398 -13.130 -1.483 1.00 0.00 H new ATOM 607 N GLY A 41 8.841 -11.483 3.507 1.00 0.00 N ATOM 608 CA GLY A 41 9.900 -10.603 3.970 1.00 0.00 C ATOM 609 C GLY A 41 10.228 -9.540 2.919 1.00 0.00 C ATOM 610 O GLY A 41 11.354 -9.047 2.860 1.00 0.00 O ATOM 0 H GLY A 41 9.132 -12.172 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.596 -10.120 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.793 -11.188 4.192 1.00 0.00 H new ATOM 614 N PHE A 42 9.225 -9.219 2.115 1.00 0.00 N ATOM 615 CA PHE A 42 9.393 -8.224 1.069 1.00 0.00 C ATOM 616 C PHE A 42 8.038 -7.728 0.561 1.00 0.00 C ATOM 617 O PHE A 42 7.005 -8.332 0.848 1.00 0.00 O ATOM 618 CB PHE A 42 10.137 -8.906 -0.081 1.00 0.00 C ATOM 619 CG PHE A 42 9.782 -10.383 -0.264 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.500 -10.745 -0.538 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.748 -11.334 -0.152 1.00 0.00 C ATOM 622 CE1 PHE A 42 8.170 -12.115 -0.707 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.418 -12.704 -0.321 1.00 0.00 C ATOM 624 CZ PHE A 42 9.136 -13.066 -0.595 1.00 0.00 C ATOM 0 H PHE A 42 8.293 -9.630 2.167 1.00 0.00 H new ATOM 0 HA PHE A 42 9.942 -7.366 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.920 -8.373 -1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.210 -8.820 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.733 -9.990 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.766 -11.047 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.152 -12.402 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.185 -13.459 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.885 -14.109 -0.724 1.00 0.00 H new ATOM 634 N PRO A 43 8.087 -6.605 -0.203 1.00 0.00 N ATOM 635 CA PRO A 43 6.876 -6.021 -0.754 1.00 0.00 C ATOM 636 C PRO A 43 6.358 -6.844 -1.935 1.00 0.00 C ATOM 637 O PRO A 43 7.018 -6.936 -2.969 1.00 0.00 O ATOM 638 CB PRO A 43 7.264 -4.603 -1.142 1.00 0.00 C ATOM 639 CG PRO A 43 8.781 -4.595 -1.226 1.00 0.00 C ATOM 640 CD PRO A 43 9.292 -5.863 -0.563 1.00 0.00 C ATOM 0 HA PRO A 43 6.051 -6.013 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.818 -4.323 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.910 -3.885 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.105 -4.551 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.186 -3.714 -0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.923 -6.438 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.894 -5.635 0.317 1.00 0.00 H new ATOM 648 N VAL A 44 5.181 -7.421 -1.742 1.00 0.00 N ATOM 649 CA VAL A 44 4.567 -8.233 -2.779 1.00 0.00 C ATOM 650 C VAL A 44 3.406 -7.459 -3.407 1.00 0.00 C ATOM 651 O VAL A 44 2.861 -6.544 -2.792 1.00 0.00 O ATOM 652 CB VAL A 44 4.141 -9.585 -2.201 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.736 -10.553 -3.314 1.00 0.00 C ATOM 654 CG2 VAL A 44 5.248 -10.182 -1.330 1.00 0.00 C ATOM 0 H VAL A 44 4.636 -7.342 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 44 5.283 -8.445 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 44 3.270 -9.420 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.438 -11.506 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.901 -10.134 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.581 -10.710 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.920 -11.142 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.146 -10.326 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.468 -9.504 -0.506 1.00 0.00 H new ATOM 664 N LYS A 45 3.063 -7.855 -4.624 1.00 0.00 N ATOM 665 CA LYS A 45 1.977 -7.210 -5.341 1.00 0.00 C ATOM 666 C LYS A 45 0.745 -7.137 -4.437 1.00 0.00 C ATOM 667 O LYS A 45 0.586 -7.955 -3.531 1.00 0.00 O ATOM 668 CB LYS A 45 1.720 -7.918 -6.673 1.00 0.00 C ATOM 669 CG LYS A 45 2.773 -7.528 -7.713 1.00 0.00 C ATOM 670 CD LYS A 45 2.401 -8.064 -9.097 1.00 0.00 C ATOM 671 CE LYS A 45 3.644 -8.532 -9.857 1.00 0.00 C ATOM 672 NZ LYS A 45 3.594 -8.075 -11.264 1.00 0.00 N ATOM 0 H LYS A 45 3.518 -8.614 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 45 2.246 -6.185 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.733 -8.998 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.727 -7.659 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.866 -6.443 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.745 -7.921 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.700 -8.893 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.893 -7.286 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.541 -8.144 -9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.710 -9.620 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.445 -8.401 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.748 -8.466 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.554 -7.036 -11.290 1.00 0.00 H new ATOM 686 N VAL A 46 -0.095 -6.150 -4.712 1.00 0.00 N ATOM 687 CA VAL A 46 -1.307 -5.960 -3.935 1.00 0.00 C ATOM 688 C VAL A 46 -2.521 -6.042 -4.862 1.00 0.00 C ATOM 689 O VAL A 46 -2.726 -5.165 -5.701 1.00 0.00 O ATOM 690 CB VAL A 46 -1.232 -4.641 -3.163 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.557 -4.341 -2.459 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.072 -4.654 -2.166 1.00 0.00 C ATOM 0 H VAL A 46 0.040 -5.473 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.412 -6.751 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.047 -3.843 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.476 -3.398 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.354 -4.267 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.786 -5.143 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.042 -3.705 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.213 -5.467 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.866 -4.799 -2.701 1.00 0.00 H new ATOM 702 N PRO A 47 -3.315 -7.130 -4.675 1.00 0.00 N ATOM 703 CA PRO A 47 -4.503 -7.338 -5.485 1.00 0.00 C ATOM 704 C PRO A 47 -5.631 -6.398 -5.055 1.00 0.00 C ATOM 705 O PRO A 47 -6.666 -6.849 -4.566 1.00 0.00 O ATOM 706 CB PRO A 47 -4.851 -8.806 -5.304 1.00 0.00 C ATOM 707 CG PRO A 47 -4.128 -9.253 -4.044 1.00 0.00 C ATOM 708 CD PRO A 47 -3.103 -8.188 -3.692 1.00 0.00 C ATOM 0 HA PRO A 47 -4.340 -7.109 -6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.928 -8.943 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.532 -9.392 -6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.835 -9.387 -3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.640 -10.214 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.248 -7.820 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.088 -8.582 -3.747 1.00 0.00 H new ATOM 716 N TYR A 48 -5.393 -5.110 -5.252 1.00 0.00 N ATOM 717 CA TYR A 48 -6.376 -4.103 -4.890 1.00 0.00 C ATOM 718 C TYR A 48 -7.765 -4.482 -5.409 1.00 0.00 C ATOM 719 O TYR A 48 -8.772 -4.191 -4.765 1.00 0.00 O ATOM 720 CB TYR A 48 -5.926 -2.810 -5.572 1.00 0.00 C ATOM 721 CG TYR A 48 -4.539 -2.329 -5.140 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.343 -1.845 -3.863 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.484 -2.381 -6.028 1.00 0.00 C ATOM 724 CE1 TYR A 48 -3.038 -1.393 -3.457 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.178 -1.929 -5.622 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.020 -1.457 -4.356 1.00 0.00 C ATOM 727 OH TYR A 48 -0.787 -1.030 -3.972 1.00 0.00 O ATOM 0 H TYR A 48 -4.533 -4.740 -5.658 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.442 -4.003 -3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.927 -2.961 -6.651 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.654 -2.027 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.169 -1.805 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.638 -2.761 -7.027 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.871 -1.012 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.344 -1.964 -6.307 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.158 -1.135 -4.716 1.00 0.00 H new ATOM 737 N ARG A 49 -7.774 -5.125 -6.567 1.00 0.00 N ATOM 738 CA ARG A 49 -9.023 -5.546 -7.180 1.00 0.00 C ATOM 739 C ARG A 49 -9.799 -6.459 -6.228 1.00 0.00 C ATOM 740 O ARG A 49 -10.871 -6.094 -5.749 1.00 0.00 O ATOM 741 CB ARG A 49 -8.769 -6.288 -8.494 1.00 0.00 C ATOM 742 CG ARG A 49 -10.082 -6.571 -9.226 1.00 0.00 C ATOM 743 CD ARG A 49 -10.093 -5.914 -10.607 1.00 0.00 C ATOM 744 NE ARG A 49 -10.489 -6.903 -11.635 1.00 0.00 N ATOM 745 CZ ARG A 49 -9.660 -7.817 -12.157 1.00 0.00 C ATOM 746 NH1 ARG A 49 -8.384 -7.874 -11.752 1.00 0.00 N ATOM 747 NH2 ARG A 49 -10.107 -8.674 -13.085 1.00 0.00 N ATOM 0 H ARG A 49 -6.936 -5.365 -7.097 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.609 -4.651 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.114 -5.693 -9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.252 -7.226 -8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.219 -7.647 -9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.919 -6.199 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.787 -5.073 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.105 -5.514 -10.837 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.453 -6.888 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.043 -7.221 -11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.753 -8.570 -12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.078 -8.630 -13.394 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.476 -9.370 -13.483 1.00 0.00 H new ATOM 761 N LYS A 50 -9.227 -7.629 -5.984 1.00 0.00 N ATOM 762 CA LYS A 50 -9.852 -8.597 -5.099 1.00 0.00 C ATOM 763 C LYS A 50 -10.272 -7.900 -3.803 1.00 0.00 C ATOM 764 O LYS A 50 -11.323 -8.206 -3.242 1.00 0.00 O ATOM 765 CB LYS A 50 -8.928 -9.797 -4.880 1.00 0.00 C ATOM 766 CG LYS A 50 -9.043 -10.795 -6.034 1.00 0.00 C ATOM 767 CD LYS A 50 -7.673 -11.078 -6.653 1.00 0.00 C ATOM 768 CE LYS A 50 -7.505 -12.569 -6.954 1.00 0.00 C ATOM 769 NZ LYS A 50 -6.433 -12.778 -7.953 1.00 0.00 N ATOM 0 H LYS A 50 -8.338 -7.928 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.758 -8.999 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.897 -9.455 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.182 -10.290 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.482 -11.725 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.715 -10.400 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.559 -10.503 -7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.888 -10.750 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.265 -13.107 -6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.443 -12.979 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.332 -13.795 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.677 -12.281 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.536 -12.405 -7.582 1.00 0.00 H new ATOM 783 N ILE A 51 -9.429 -6.976 -3.366 1.00 0.00 N ATOM 784 CA ILE A 51 -9.700 -6.233 -2.147 1.00 0.00 C ATOM 785 C ILE A 51 -10.840 -5.245 -2.400 1.00 0.00 C ATOM 786 O ILE A 51 -11.620 -4.947 -1.496 1.00 0.00 O ATOM 787 CB ILE A 51 -8.421 -5.577 -1.624 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.598 -6.563 -0.793 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.739 -4.298 -0.847 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.151 -6.624 -1.287 1.00 0.00 C ATOM 0 H ILE A 51 -8.558 -6.725 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.031 -6.906 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.810 -5.290 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.616 -6.264 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.047 -7.555 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.812 -3.852 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.251 -3.592 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.381 -4.537 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.588 -7.332 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.135 -6.947 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.697 -5.636 -1.207 1.00 0.00 H new ATOM 802 N THR A 52 -10.900 -4.763 -3.632 1.00 0.00 N ATOM 803 CA THR A 52 -11.931 -3.814 -4.016 1.00 0.00 C ATOM 804 C THR A 52 -13.303 -4.492 -4.025 1.00 0.00 C ATOM 805 O THR A 52 -14.182 -4.133 -3.244 1.00 0.00 O ATOM 806 CB THR A 52 -11.541 -3.212 -5.367 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.357 -1.826 -5.089 1.00 0.00 O ATOM 808 CG2 THR A 52 -12.692 -3.240 -6.375 1.00 0.00 C ATOM 0 H THR A 52 -10.251 -5.012 -4.378 1.00 0.00 H new ATOM 0 HA THR A 52 -12.010 -3.002 -3.294 1.00 0.00 H new ATOM 0 HB THR A 52 -10.689 -3.756 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.100 -1.359 -5.911 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.362 -2.801 -7.317 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.002 -4.271 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.533 -2.668 -5.983 1.00 0.00 H new ATOM 816 N ILE A 53 -13.442 -5.460 -4.919 1.00 0.00 N ATOM 817 CA ILE A 53 -14.692 -6.191 -5.041 1.00 0.00 C ATOM 818 C ILE A 53 -15.154 -6.638 -3.653 1.00 0.00 C ATOM 819 O ILE A 53 -16.292 -6.380 -3.261 1.00 0.00 O ATOM 820 CB ILE A 53 -14.544 -7.342 -6.039 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.435 -8.304 -5.607 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.323 -6.812 -7.458 1.00 0.00 C ATOM 823 CD1 ILE A 53 -12.994 -9.191 -6.773 1.00 0.00 C ATOM 0 H ILE A 53 -12.710 -5.755 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.472 -5.546 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.475 -7.908 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.582 -7.737 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.788 -8.927 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.221 -7.650 -8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.175 -6.200 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.416 -6.208 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.205 -9.865 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.844 -9.774 -7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.618 -8.566 -7.584 1.00 0.00 H new ATOM 835 N ASN A 54 -14.249 -7.298 -2.947 1.00 0.00 N ATOM 836 CA ASN A 54 -14.550 -7.783 -1.610 1.00 0.00 C ATOM 837 C ASN A 54 -13.245 -7.968 -0.834 1.00 0.00 C ATOM 838 O ASN A 54 -12.438 -8.835 -1.167 1.00 0.00 O ATOM 839 CB ASN A 54 -15.265 -9.134 -1.662 1.00 0.00 C ATOM 840 CG ASN A 54 -14.803 -9.953 -2.869 1.00 0.00 C ATOM 841 OD1 ASN A 54 -15.538 -10.182 -3.815 1.00 0.00 O ATOM 842 ND2 ASN A 54 -13.546 -10.381 -2.783 1.00 0.00 N ATOM 0 H ASN A 54 -13.306 -7.509 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.196 -7.052 -1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.068 -9.689 -0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.342 -8.977 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.144 -10.937 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.985 -10.153 -1.962 1.00 0.00 H new ATOM 849 N PRO A 55 -13.073 -7.118 0.213 1.00 0.00 N ATOM 850 CA PRO A 55 -11.879 -7.180 1.040 1.00 0.00 C ATOM 851 C PRO A 55 -11.926 -8.385 1.982 1.00 0.00 C ATOM 852 O PRO A 55 -10.886 -8.900 2.389 1.00 0.00 O ATOM 853 CB PRO A 55 -11.842 -5.851 1.777 1.00 0.00 C ATOM 854 CG PRO A 55 -13.251 -5.287 1.692 1.00 0.00 C ATOM 855 CD PRO A 55 -14.007 -6.079 0.637 1.00 0.00 C ATOM 0 HA PRO A 55 -10.970 -7.322 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.538 -5.988 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.121 -5.172 1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.751 -5.363 2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.224 -4.230 1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.921 -6.511 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.300 -5.445 -0.200 1.00 0.00 H new ATOM 863 N GLY A 56 -13.144 -8.799 2.300 1.00 0.00 N ATOM 864 CA GLY A 56 -13.340 -9.934 3.186 1.00 0.00 C ATOM 865 C GLY A 56 -12.053 -10.750 3.326 1.00 0.00 C ATOM 866 O GLY A 56 -11.517 -10.887 4.424 1.00 0.00 O ATOM 0 H GLY A 56 -14.004 -8.369 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.661 -9.583 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.137 -10.569 2.799 1.00 0.00 H new ATOM 870 N CYS A 57 -11.594 -11.269 2.197 1.00 0.00 N ATOM 871 CA CYS A 57 -10.381 -12.068 2.179 1.00 0.00 C ATOM 872 C CYS A 57 -9.263 -11.256 2.837 1.00 0.00 C ATOM 873 O CYS A 57 -9.013 -11.393 4.034 1.00 0.00 O ATOM 874 CB CYS A 57 -10.010 -12.503 0.760 1.00 0.00 C ATOM 875 SG CYS A 57 -11.228 -13.722 0.142 1.00 0.00 S ATOM 0 H CYS A 57 -12.041 -11.152 1.288 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.541 -12.989 2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.984 -11.636 0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.011 -12.939 0.754 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.906 -14.084 -1.064 1.00 0.00 H new ATOM 881 N VAL A 58 -8.619 -10.430 2.026 1.00 0.00 N ATOM 882 CA VAL A 58 -7.533 -9.597 2.514 1.00 0.00 C ATOM 883 C VAL A 58 -8.075 -8.205 2.848 1.00 0.00 C ATOM 884 O VAL A 58 -8.745 -7.582 2.026 1.00 0.00 O ATOM 885 CB VAL A 58 -6.396 -9.566 1.491 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.510 -8.335 1.693 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.570 -10.852 1.551 1.00 0.00 C ATOM 0 H VAL A 58 -8.828 -10.320 1.034 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.115 -10.013 3.431 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.840 -9.499 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.710 -8.337 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.109 -7.432 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.079 -8.357 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.768 -10.804 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.141 -10.963 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.211 -11.707 1.335 1.00 0.00 H new ATOM 897 N VAL A 59 -7.764 -7.758 4.056 1.00 0.00 N ATOM 898 CA VAL A 59 -8.211 -6.452 4.508 1.00 0.00 C ATOM 899 C VAL A 59 -7.010 -5.507 4.590 1.00 0.00 C ATOM 900 O VAL A 59 -5.864 -5.944 4.497 1.00 0.00 O ATOM 901 CB VAL A 59 -8.957 -6.585 5.837 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.486 -5.229 6.308 1.00 0.00 C ATOM 903 CG2 VAL A 59 -10.091 -7.608 5.729 1.00 0.00 C ATOM 0 H VAL A 59 -7.208 -8.277 4.735 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.916 -6.023 3.796 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.249 -6.946 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.012 -5.353 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.652 -4.540 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.171 -4.827 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.605 -7.684 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.797 -7.289 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.679 -8.581 5.461 1.00 0.00 H new ATOM 913 N VAL A 60 -7.314 -4.229 4.764 1.00 0.00 N ATOM 914 CA VAL A 60 -6.274 -3.218 4.859 1.00 0.00 C ATOM 915 C VAL A 60 -6.561 -2.308 6.055 1.00 0.00 C ATOM 916 O VAL A 60 -7.549 -1.574 6.057 1.00 0.00 O ATOM 917 CB VAL A 60 -6.165 -2.454 3.538 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.270 -1.222 3.690 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.658 -3.365 2.418 1.00 0.00 C ATOM 0 H VAL A 60 -8.266 -3.870 4.842 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.303 -3.683 5.031 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.163 -2.112 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.209 -0.697 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.691 -0.557 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.272 -1.533 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.590 -2.797 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.673 -3.751 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.350 -4.197 2.284 1.00 0.00 H new ATOM 929 N ASP A 61 -5.681 -2.386 7.042 1.00 0.00 N ATOM 930 CA ASP A 61 -5.828 -1.578 8.240 1.00 0.00 C ATOM 931 C ASP A 61 -4.868 -0.388 8.169 1.00 0.00 C ATOM 932 O ASP A 61 -4.021 -0.322 7.280 1.00 0.00 O ATOM 933 CB ASP A 61 -5.487 -2.386 9.494 1.00 0.00 C ATOM 934 CG ASP A 61 -6.613 -3.283 10.011 1.00 0.00 C ATOM 935 OD1 ASP A 61 -7.661 -2.717 10.391 1.00 0.00 O ATOM 936 OD2 ASP A 61 -6.400 -4.515 10.015 1.00 0.00 O ATOM 0 H ASP A 61 -4.864 -2.996 7.037 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.864 -1.244 8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.616 -3.007 9.282 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.200 -1.695 10.287 1.00 0.00 H new ATOM 941 N GLY A 62 -5.033 0.522 9.118 1.00 0.00 N ATOM 942 CA GLY A 62 -4.192 1.706 9.174 1.00 0.00 C ATOM 943 C GLY A 62 -4.789 2.842 8.341 1.00 0.00 C ATOM 944 O GLY A 62 -4.552 4.015 8.625 1.00 0.00 O ATOM 0 H GLY A 62 -5.737 0.463 9.854 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.081 2.029 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.195 1.466 8.806 1.00 0.00 H new ATOM 948 N MET A 63 -5.551 2.454 7.329 1.00 0.00 N ATOM 949 CA MET A 63 -6.183 3.425 6.452 1.00 0.00 C ATOM 950 C MET A 63 -6.733 4.608 7.252 1.00 0.00 C ATOM 951 O MET A 63 -7.272 4.428 8.342 1.00 0.00 O ATOM 952 CB MET A 63 -7.323 2.754 5.684 1.00 0.00 C ATOM 953 CG MET A 63 -6.863 2.320 4.290 1.00 0.00 C ATOM 954 SD MET A 63 -7.829 3.153 3.042 1.00 0.00 S ATOM 955 CE MET A 63 -6.518 3.829 2.036 1.00 0.00 C ATOM 0 H MET A 63 -5.745 1.480 7.097 1.00 0.00 H new ATOM 0 HA MET A 63 -5.434 3.798 5.754 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.680 1.887 6.240 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.162 3.444 5.596 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.806 2.552 4.158 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.968 1.240 4.183 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.947 4.340 1.174 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.936 4.538 2.625 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.869 3.023 1.694 1.00 0.00 H new ATOM 965 N PRO A 64 -6.573 5.824 6.663 1.00 0.00 N ATOM 966 CA PRO A 64 -7.047 7.036 7.308 1.00 0.00 C ATOM 967 C PRO A 64 -8.570 7.150 7.209 1.00 0.00 C ATOM 968 O PRO A 64 -9.202 6.421 6.446 1.00 0.00 O ATOM 969 CB PRO A 64 -6.320 8.168 6.601 1.00 0.00 C ATOM 970 CG PRO A 64 -5.823 7.588 5.287 1.00 0.00 C ATOM 971 CD PRO A 64 -5.939 6.075 5.372 1.00 0.00 C ATOM 0 HA PRO A 64 -6.838 7.053 8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.987 9.012 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.490 8.536 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.413 7.970 4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.789 7.882 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.538 5.677 4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.960 5.599 5.312 1.00 0.00 H new ATOM 979 N PRO A 65 -9.129 8.094 8.013 1.00 0.00 N ATOM 980 CA PRO A 65 -10.565 8.313 8.023 1.00 0.00 C ATOM 981 C PRO A 65 -11.015 9.065 6.769 1.00 0.00 C ATOM 982 O PRO A 65 -10.385 10.043 6.368 1.00 0.00 O ATOM 983 CB PRO A 65 -10.837 9.082 9.306 1.00 0.00 C ATOM 984 CG PRO A 65 -9.501 9.668 9.731 1.00 0.00 C ATOM 985 CD PRO A 65 -8.411 8.975 8.930 1.00 0.00 C ATOM 0 HA PRO A 65 -11.132 7.382 8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.574 9.868 9.141 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.239 8.425 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.481 10.743 9.552 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.342 9.520 10.799 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.798 9.696 8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.741 8.411 9.578 1.00 0.00 H new ATOM 993 N GLY A 66 -12.100 8.580 6.184 1.00 0.00 N ATOM 994 CA GLY A 66 -12.641 9.194 4.983 1.00 0.00 C ATOM 995 C GLY A 66 -11.712 8.971 3.787 1.00 0.00 C ATOM 996 O GLY A 66 -11.652 9.800 2.880 1.00 0.00 O ATOM 0 H GLY A 66 -12.619 7.769 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.624 8.775 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.779 10.263 5.147 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.011 7.848 3.825 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.088 7.506 2.756 1.00 0.00 C ATOM 1002 C VAL A 67 -10.203 6.011 2.447 1.00 0.00 C ATOM 1003 O VAL A 67 -9.876 5.174 3.287 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.668 7.930 3.135 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.686 7.635 1.999 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.624 9.408 3.527 1.00 0.00 C ATOM 0 H VAL A 67 -11.063 7.163 4.579 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.342 8.047 1.845 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.363 7.344 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.684 7.946 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.686 6.566 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.987 8.183 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.603 9.684 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.958 10.017 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.279 9.577 4.382 1.00 0.00 H new ATOM 1016 N SER A 68 -10.669 5.723 1.241 1.00 0.00 N ATOM 1017 CA SER A 68 -10.831 4.344 0.812 1.00 0.00 C ATOM 1018 C SER A 68 -9.513 3.815 0.243 1.00 0.00 C ATOM 1019 O SER A 68 -8.692 4.585 -0.253 1.00 0.00 O ATOM 1020 CB SER A 68 -11.946 4.219 -0.229 1.00 0.00 C ATOM 1021 OG SER A 68 -13.063 5.047 0.083 1.00 0.00 O ATOM 0 H SER A 68 -10.939 6.420 0.548 1.00 0.00 H new ATOM 0 HA SER A 68 -11.111 3.746 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.557 4.489 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.270 3.180 -0.290 1.00 0.00 H new ATOM 0 HG SER A 68 -13.752 4.940 -0.606 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.350 2.503 0.335 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.146 1.862 -0.164 1.00 0.00 C ATOM 1029 C PHE A 69 -8.316 1.435 -1.624 1.00 0.00 C ATOM 1030 O PHE A 69 -9.367 0.923 -2.006 1.00 0.00 O ATOM 1031 CB PHE A 69 -7.914 0.617 0.694 1.00 0.00 C ATOM 1032 CG PHE A 69 -6.802 -0.298 0.176 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.509 0.123 0.197 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.107 -1.533 -0.306 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.478 -0.726 -0.284 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.076 -2.382 -0.787 1.00 0.00 C ATOM 1037 CZ PHE A 69 -4.783 -1.961 -0.766 1.00 0.00 C ATOM 0 H PHE A 69 -10.032 1.867 0.748 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.307 2.556 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.670 0.929 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.842 0.048 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.267 1.103 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.134 -1.868 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.451 -0.391 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.318 -3.362 -1.170 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.999 -2.607 -1.132 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.266 1.663 -2.400 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.286 1.309 -3.809 1.00 0.00 C ATOM 1049 C LYS A 70 -5.941 1.672 -4.440 1.00 0.00 C ATOM 1050 O LYS A 70 -5.124 2.353 -3.822 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.486 1.953 -4.506 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.507 3.466 -4.277 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.835 4.072 -4.735 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.751 4.351 -3.542 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.799 5.329 -3.911 1.00 0.00 N ATOM 0 H LYS A 70 -6.396 2.088 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.416 0.234 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.445 1.744 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.409 1.512 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.351 3.679 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.684 3.931 -4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.648 4.998 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.330 3.391 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.213 3.423 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.164 4.735 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.412 5.507 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.353 6.220 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.369 4.948 -4.693 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.752 1.201 -5.664 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.519 1.467 -6.386 1.00 0.00 C ATOM 1071 C ALA A 71 -4.172 2.952 -6.265 1.00 0.00 C ATOM 1072 O ALA A 71 -5.061 3.792 -6.129 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.674 1.022 -7.842 1.00 0.00 C ATOM 0 H ALA A 71 -6.432 0.637 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.693 0.899 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.749 1.221 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.891 -0.046 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.492 1.573 -8.306 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.844 3.239 -6.319 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.369 4.608 -6.216 1.00 0.00 C ATOM 1081 C PRO A 72 -2.622 5.375 -7.515 1.00 0.00 C ATOM 1082 O PRO A 72 -2.388 6.581 -7.584 1.00 0.00 O ATOM 1083 CB PRO A 72 -0.892 4.487 -5.875 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.491 3.071 -6.256 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.763 2.270 -6.478 1.00 0.00 C ATOM 0 HA PRO A 72 -2.895 5.180 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.303 5.221 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.720 4.670 -4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.119 3.077 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.112 2.620 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.779 1.819 -7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.850 1.457 -5.757 1.00 0.00 H new ATOM 1093 N SER A 73 -3.097 4.644 -8.513 1.00 0.00 N ATOM 1094 CA SER A 73 -3.384 5.241 -9.807 1.00 0.00 C ATOM 1095 C SER A 73 -4.674 6.060 -9.730 1.00 0.00 C ATOM 1096 O SER A 73 -4.751 7.157 -10.281 1.00 0.00 O ATOM 1097 CB SER A 73 -3.498 4.171 -10.894 1.00 0.00 C ATOM 1098 OG SER A 73 -2.907 4.590 -12.121 1.00 0.00 O ATOM 0 H SER A 73 -3.290 3.644 -8.452 1.00 0.00 H new ATOM 0 HA SER A 73 -2.557 5.901 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.015 3.255 -10.553 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.549 3.934 -11.060 1.00 0.00 H new ATOM 0 HG SER A 73 -2.999 3.878 -12.788 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.656 5.495 -9.043 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.939 6.158 -8.887 1.00 0.00 C ATOM 1106 C TYR A 74 -6.873 7.231 -7.798 1.00 0.00 C ATOM 1107 O TYR A 74 -7.445 8.309 -7.948 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.927 5.072 -8.457 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.060 3.921 -9.456 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.183 4.189 -10.805 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.057 2.615 -9.010 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.308 3.106 -11.745 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.183 1.532 -9.951 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.302 1.831 -11.272 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.421 0.809 -12.161 1.00 0.00 O ATOM 0 H TYR A 74 -5.589 4.585 -8.588 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.233 6.646 -9.816 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.612 4.669 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.907 5.525 -8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.185 5.211 -11.155 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.960 2.405 -7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.404 3.302 -12.803 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.183 0.506 -9.615 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.400 -0.046 -11.682 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.170 6.897 -6.725 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.022 7.818 -5.611 1.00 0.00 C ATOM 1127 C LEU A 75 -5.295 9.077 -6.089 1.00 0.00 C ATOM 1128 O LEU A 75 -4.480 9.016 -7.008 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.339 7.125 -4.430 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.008 5.844 -3.927 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.134 5.143 -2.885 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.414 6.132 -3.395 1.00 0.00 C ATOM 0 H LEU A 75 -5.697 6.001 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.999 8.133 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.314 6.888 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.283 7.832 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.116 5.161 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.632 4.236 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.173 4.884 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.973 5.809 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.867 5.205 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.352 6.841 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.025 6.555 -4.192 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.616 10.188 -5.443 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.004 11.459 -5.790 1.00 0.00 C ATOM 1146 C GLU A 76 -3.762 11.703 -4.932 1.00 0.00 C ATOM 1147 O GLU A 76 -3.443 10.902 -4.053 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.005 12.608 -5.645 1.00 0.00 C ATOM 1149 CG GLU A 76 -7.082 12.537 -6.729 1.00 0.00 C ATOM 1150 CD GLU A 76 -7.095 13.813 -7.573 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -7.588 14.835 -7.049 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -6.612 13.738 -8.723 1.00 0.00 O ATOM 0 H GLU A 76 -6.292 10.234 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.697 11.418 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.471 12.567 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.481 13.562 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.901 11.674 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.059 12.392 -6.267 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.093 12.811 -5.215 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.892 13.169 -4.479 1.00 0.00 C ATOM 1161 C ILE A 77 -2.198 13.167 -2.980 1.00 0.00 C ATOM 1162 O ILE A 77 -1.616 12.390 -2.225 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.327 14.496 -4.990 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.926 14.391 -6.463 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.168 14.972 -4.113 1.00 0.00 C ATOM 1166 CD1 ILE A 77 -0.108 15.609 -6.897 1.00 0.00 C ATOM 0 H ILE A 77 -3.360 13.473 -5.944 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.108 12.430 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.112 15.249 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.344 13.483 -6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.820 14.309 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.215 15.917 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.519 15.112 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.627 14.226 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.164 15.509 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.701 16.513 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.797 15.674 -6.293 1.00 0.00 H new ATOM 1178 N SER A 78 -3.111 14.047 -2.594 1.00 0.00 N ATOM 1179 CA SER A 78 -3.501 14.156 -1.199 1.00 0.00 C ATOM 1180 C SER A 78 -3.774 12.766 -0.621 1.00 0.00 C ATOM 1181 O SER A 78 -3.272 12.425 0.449 1.00 0.00 O ATOM 1182 CB SER A 78 -4.734 15.048 -1.040 1.00 0.00 C ATOM 1183 OG SER A 78 -4.419 16.287 -0.411 1.00 0.00 O ATOM 0 H SER A 78 -3.591 14.690 -3.223 1.00 0.00 H new ATOM 0 HA SER A 78 -2.679 14.616 -0.650 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.171 15.240 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.487 14.524 -0.452 1.00 0.00 H new ATOM 0 HG SER A 78 -5.232 16.828 -0.329 1.00 0.00 H new ATOM 1189 N SER A 79 -4.569 12.001 -1.354 1.00 0.00 N ATOM 1190 CA SER A 79 -4.914 10.655 -0.928 1.00 0.00 C ATOM 1191 C SER A 79 -3.650 9.893 -0.525 1.00 0.00 C ATOM 1192 O SER A 79 -3.552 9.396 0.595 1.00 0.00 O ATOM 1193 CB SER A 79 -5.659 9.902 -2.032 1.00 0.00 C ATOM 1194 OG SER A 79 -6.784 10.634 -2.513 1.00 0.00 O ATOM 0 H SER A 79 -4.984 12.287 -2.240 1.00 0.00 H new ATOM 0 HA SER A 79 -5.576 10.729 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.977 9.702 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.991 8.936 -1.651 1.00 0.00 H new ATOM 0 HG SER A 79 -7.403 10.023 -2.965 1.00 0.00 H new ATOM 1200 N MET A 80 -2.715 9.825 -1.462 1.00 0.00 N ATOM 1201 CA MET A 80 -1.462 9.132 -1.218 1.00 0.00 C ATOM 1202 C MET A 80 -0.736 9.721 -0.007 1.00 0.00 C ATOM 1203 O MET A 80 -0.357 8.993 0.909 1.00 0.00 O ATOM 1204 CB MET A 80 -0.567 9.244 -2.454 1.00 0.00 C ATOM 1205 CG MET A 80 -1.204 8.545 -3.657 1.00 0.00 C ATOM 1206 SD MET A 80 -0.041 8.476 -5.009 1.00 0.00 S ATOM 1207 CE MET A 80 -0.526 9.940 -5.909 1.00 0.00 C ATOM 0 H MET A 80 -2.801 10.238 -2.391 1.00 0.00 H new ATOM 0 HA MET A 80 -1.682 8.085 -1.012 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.394 10.294 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.406 8.800 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.513 7.537 -3.381 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.102 9.080 -3.966 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.199 9.855 -6.945 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.611 10.044 -5.878 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.064 10.816 -5.454 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.563 11.034 -0.042 1.00 0.00 N ATOM 1218 CA ARG A 81 0.111 11.730 1.041 1.00 0.00 C ATOM 1219 C ARG A 81 -0.409 11.237 2.393 1.00 0.00 C ATOM 1220 O ARG A 81 0.374 10.967 3.302 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.101 13.242 0.941 1.00 0.00 C ATOM 1222 CG ARG A 81 1.054 13.909 0.191 1.00 0.00 C ATOM 1223 CD ARG A 81 2.402 13.511 0.795 1.00 0.00 C ATOM 1224 NE ARG A 81 3.386 14.598 0.597 1.00 0.00 N ATOM 1225 CZ ARG A 81 3.320 15.791 1.204 1.00 0.00 C ATOM 1226 NH1 ARG A 81 2.317 16.057 2.052 1.00 0.00 N ATOM 1227 NH2 ARG A 81 4.258 16.718 0.964 1.00 0.00 N ATOM 0 H ARG A 81 -0.878 11.635 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 81 1.177 11.518 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.040 13.448 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.184 13.668 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.024 13.622 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.940 14.992 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.286 13.304 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.762 12.594 0.329 1.00 0.00 H new ATOM 0 HE ARG A 81 4.163 14.429 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.604 15.351 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.267 16.965 2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.022 16.515 0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.208 17.626 1.426 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.727 11.135 2.482 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.361 10.679 3.708 1.00 0.00 C ATOM 1243 C ARG A 82 -1.904 9.259 4.046 1.00 0.00 C ATOM 1244 O ARG A 82 -1.198 9.048 5.031 1.00 0.00 O ATOM 1245 CB ARG A 82 -3.885 10.700 3.581 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.401 12.130 3.407 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.922 12.148 3.237 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.579 12.204 4.562 1.00 0.00 N ATOM 1249 CZ ARG A 82 -7.895 12.379 4.741 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.703 12.516 3.681 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.403 12.417 5.981 1.00 0.00 N ATOM 0 H ARG A 82 -2.373 11.360 1.726 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.065 11.359 4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.191 10.093 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.334 10.253 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.121 12.729 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.929 12.587 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.219 13.009 2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.247 11.258 2.698 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.993 12.103 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.316 12.487 2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.705 12.649 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.788 12.313 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.405 12.550 6.118 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.325 8.321 3.209 1.00 0.00 N ATOM 1266 CA ILE A 83 -1.967 6.927 3.407 1.00 0.00 C ATOM 1267 C ILE A 83 -0.511 6.838 3.866 1.00 0.00 C ATOM 1268 O ILE A 83 -0.200 6.128 4.821 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.265 6.114 2.145 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.773 5.978 1.923 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.568 4.753 2.193 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.127 6.152 0.445 1.00 0.00 C ATOM 0 H ILE A 83 -2.910 8.500 2.393 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.577 6.485 4.195 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.861 6.653 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.108 5.000 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.301 6.724 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.796 4.195 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.490 4.899 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.920 4.194 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.204 6.051 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.812 7.140 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.617 5.389 -0.144 1.00 0.00 H new ATOM 1284 N LEU A 84 0.343 7.570 3.165 1.00 0.00 N ATOM 1285 CA LEU A 84 1.759 7.582 3.489 1.00 0.00 C ATOM 1286 C LEU A 84 1.944 8.064 4.929 1.00 0.00 C ATOM 1287 O LEU A 84 2.646 7.429 5.715 1.00 0.00 O ATOM 1288 CB LEU A 84 2.537 8.406 2.461 1.00 0.00 C ATOM 1289 CG LEU A 84 2.570 7.844 1.038 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.132 8.873 0.055 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.341 6.524 0.988 1.00 0.00 C ATOM 0 H LEU A 84 0.081 8.159 2.374 1.00 0.00 H new ATOM 0 HA LEU A 84 2.171 6.574 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.106 9.407 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.563 8.513 2.812 1.00 0.00 H new ATOM 0 HG LEU A 84 1.546 7.631 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.145 8.448 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.505 9.765 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.147 9.140 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.349 6.146 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.365 6.688 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.858 5.796 1.640 1.00 0.00 H new ATOM 1303 N ASP A 85 1.302 9.183 5.233 1.00 0.00 N ATOM 1304 CA ASP A 85 1.387 9.757 6.565 1.00 0.00 C ATOM 1305 C ASP A 85 1.014 8.693 7.599 1.00 0.00 C ATOM 1306 O ASP A 85 1.380 8.803 8.768 1.00 0.00 O ATOM 1307 CB ASP A 85 0.417 10.930 6.722 1.00 0.00 C ATOM 1308 CG ASP A 85 1.070 12.313 6.722 1.00 0.00 C ATOM 1309 OD1 ASP A 85 2.289 12.366 6.449 1.00 0.00 O ATOM 1310 OD2 ASP A 85 0.336 13.287 6.994 1.00 0.00 O ATOM 0 H ASP A 85 0.721 9.707 4.579 1.00 0.00 H new ATOM 0 HA ASP A 85 2.407 10.110 6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.313 10.889 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.133 10.805 7.654 1.00 0.00 H new ATOM 1315 N SER A 86 0.290 7.687 7.131 1.00 0.00 N ATOM 1316 CA SER A 86 -0.137 6.604 8.000 1.00 0.00 C ATOM 1317 C SER A 86 0.542 5.298 7.582 1.00 0.00 C ATOM 1318 O SER A 86 0.098 4.215 7.959 1.00 0.00 O ATOM 1319 CB SER A 86 -1.659 6.443 7.973 1.00 0.00 C ATOM 1320 OG SER A 86 -2.281 7.065 9.094 1.00 0.00 O ATOM 0 H SER A 86 -0.012 7.599 6.161 1.00 0.00 H new ATOM 0 HA SER A 86 0.158 6.849 9.021 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.053 6.875 7.053 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.911 5.383 7.960 1.00 0.00 H new ATOM 0 HG SER A 86 -1.891 6.713 9.921 1.00 0.00 H new ATOM 1326 N ALA A 87 1.607 5.444 6.808 1.00 0.00 N ATOM 1327 CA ALA A 87 2.352 4.290 6.334 1.00 0.00 C ATOM 1328 C ALA A 87 2.654 3.364 7.514 1.00 0.00 C ATOM 1329 O ALA A 87 2.611 2.142 7.376 1.00 0.00 O ATOM 1330 CB ALA A 87 3.622 4.759 5.622 1.00 0.00 C ATOM 0 H ALA A 87 1.972 6.344 6.497 1.00 0.00 H new ATOM 0 HA ALA A 87 1.764 3.724 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.181 3.893 5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.352 5.390 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.239 5.329 6.317 1.00 0.00 H new ATOM 1336 N GLU A 88 2.951 3.980 8.649 1.00 0.00 N ATOM 1337 CA GLU A 88 3.260 3.227 9.852 1.00 0.00 C ATOM 1338 C GLU A 88 2.018 2.479 10.342 1.00 0.00 C ATOM 1339 O GLU A 88 2.131 1.447 11.003 1.00 0.00 O ATOM 1340 CB GLU A 88 3.816 4.142 10.944 1.00 0.00 C ATOM 1341 CG GLU A 88 2.779 5.183 11.368 1.00 0.00 C ATOM 1342 CD GLU A 88 3.362 6.149 12.402 1.00 0.00 C ATOM 1343 OE1 GLU A 88 3.911 5.643 13.405 1.00 0.00 O ATOM 1344 OE2 GLU A 88 3.246 7.371 12.166 1.00 0.00 O ATOM 0 H GLU A 88 2.984 4.993 8.760 1.00 0.00 H new ATOM 0 HA GLU A 88 4.031 2.495 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.112 3.546 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.713 4.644 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.440 5.741 10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.905 4.682 11.785 1.00 0.00 H new ATOM 1351 N PHE A 89 0.862 3.028 10.000 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.399 2.426 10.398 1.00 0.00 C ATOM 1353 C PHE A 89 -0.864 1.396 9.366 1.00 0.00 C ATOM 1354 O PHE A 89 -1.375 0.337 9.728 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.429 3.554 10.474 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.317 4.415 11.735 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -1.837 3.970 12.910 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -0.698 5.624 11.679 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -1.733 4.768 14.080 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -0.594 6.423 12.849 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.114 5.978 14.024 1.00 0.00 C ATOM 0 H PHE A 89 0.772 3.883 9.452 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.283 1.916 11.354 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.317 4.194 9.599 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.429 3.123 10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.329 3.010 12.953 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.285 5.977 10.745 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.145 4.414 15.014 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.102 7.383 12.805 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.035 6.586 14.913 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.670 1.742 8.102 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.063 0.861 7.016 1.00 0.00 C ATOM 1373 C ILE A 90 -0.736 -0.585 7.394 1.00 0.00 C ATOM 1374 O ILE A 90 0.332 -0.862 7.937 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.423 1.313 5.701 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.788 2.765 5.385 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -0.794 0.367 4.558 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.250 3.051 5.731 1.00 0.00 C ATOM 0 H ILE A 90 -0.246 2.621 7.806 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.140 0.913 6.854 1.00 0.00 H new ATOM 0 HB ILE A 90 0.660 1.271 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.140 3.437 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.615 2.965 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.327 0.711 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.443 -0.639 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.877 0.354 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.483 4.090 5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.897 2.394 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.414 2.873 6.794 1.00 0.00 H new ATOM 1390 N LYS A 91 -1.676 -1.469 7.092 1.00 0.00 N ATOM 1391 CA LYS A 91 -1.501 -2.879 7.393 1.00 0.00 C ATOM 1392 C LYS A 91 -2.497 -3.699 6.572 1.00 0.00 C ATOM 1393 O LYS A 91 -3.506 -3.171 6.106 1.00 0.00 O ATOM 1394 CB LYS A 91 -1.601 -3.121 8.901 1.00 0.00 C ATOM 1395 CG LYS A 91 -0.889 -4.417 9.296 1.00 0.00 C ATOM 1396 CD LYS A 91 -1.831 -5.617 9.182 1.00 0.00 C ATOM 1397 CE LYS A 91 -2.061 -6.265 10.549 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.560 -7.650 10.388 1.00 0.00 N ATOM 0 H LYS A 91 -2.561 -1.236 6.642 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.503 -3.209 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.160 -2.281 9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.649 -3.173 9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.021 -4.569 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.519 -4.336 10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.785 -5.297 8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.410 -6.350 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.130 -6.271 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.779 -5.677 11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.598 -8.115 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.513 -7.630 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.920 -8.179 9.762 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.180 -4.977 6.419 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.035 -5.875 5.661 1.00 0.00 C ATOM 1414 C PHE A 92 -3.329 -7.150 6.454 1.00 0.00 C ATOM 1415 O PHE A 92 -2.409 -7.832 6.902 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.276 -6.245 4.386 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.259 -5.139 3.328 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.627 -3.963 3.584 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.877 -5.333 2.132 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -1.611 -2.937 2.603 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -2.861 -4.307 1.151 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.229 -3.130 1.407 1.00 0.00 C ATOM 0 H PHE A 92 -1.343 -5.412 6.807 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.985 -5.388 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.249 -6.499 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.725 -7.139 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.137 -3.809 4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.380 -6.267 1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.108 -2.003 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.351 -4.461 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.218 -2.349 0.661 1.00 0.00 H new ATOM 1432 N THR A 93 -4.615 -7.433 6.602 1.00 0.00 N ATOM 1433 CA THR A 93 -5.042 -8.614 7.332 1.00 0.00 C ATOM 1434 C THR A 93 -5.507 -9.702 6.362 1.00 0.00 C ATOM 1435 O THR A 93 -6.159 -9.408 5.361 1.00 0.00 O ATOM 1436 CB THR A 93 -6.121 -8.188 8.331 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.531 -7.099 9.035 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.366 -9.242 9.412 1.00 0.00 C ATOM 0 H THR A 93 -5.375 -6.864 6.229 1.00 0.00 H new ATOM 0 HA THR A 93 -4.216 -9.053 7.891 1.00 0.00 H new ATOM 0 HB THR A 93 -7.052 -7.991 7.799 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.200 -6.395 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.140 -8.890 10.094 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.689 -10.173 8.946 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.444 -9.415 9.967 1.00 0.00 H new ATOM 1446 N VAL A 94 -5.154 -10.935 6.693 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.528 -12.068 5.864 1.00 0.00 C ATOM 1448 C VAL A 94 -6.568 -12.914 6.601 1.00 0.00 C ATOM 1449 O VAL A 94 -6.241 -13.960 7.158 1.00 0.00 O ATOM 1450 CB VAL A 94 -4.281 -12.863 5.472 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -4.644 -14.043 4.567 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -3.242 -11.960 4.804 1.00 0.00 C ATOM 0 H VAL A 94 -4.613 -11.174 7.524 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.986 -11.727 4.936 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.840 -13.264 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.739 -14.591 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.330 -14.707 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.121 -13.672 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.366 -12.550 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.670 -11.516 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.949 -11.169 5.495 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.801 -12.428 6.580 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.891 -13.126 7.240 1.00 0.00 C ATOM 1464 C ILE A 95 -9.076 -14.501 6.594 1.00 0.00 C ATOM 1465 O ILE A 95 -9.062 -15.521 7.282 1.00 0.00 O ATOM 1466 CB ILE A 95 -10.158 -12.269 7.233 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -10.008 -11.061 8.161 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -11.390 -13.108 7.578 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -9.095 -10.002 7.539 1.00 0.00 C ATOM 0 H ILE A 95 -8.069 -11.560 6.116 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.654 -13.296 8.290 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.304 -11.884 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.988 -10.629 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.599 -11.382 9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.277 -12.474 7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -11.504 -13.906 6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -11.268 -13.543 8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.005 -9.154 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.109 -10.431 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.520 -9.665 6.593 1.00 0.00 H new ATOM 1481 N ARG A 96 -9.243 -14.484 5.280 1.00 0.00 N ATOM 1482 CA ARG A 96 -9.430 -15.717 4.534 1.00 0.00 C ATOM 1483 C ARG A 96 -8.340 -15.864 3.470 1.00 0.00 C ATOM 1484 O ARG A 96 -8.076 -14.931 2.714 1.00 0.00 O ATOM 1485 CB ARG A 96 -10.802 -15.749 3.857 1.00 0.00 C ATOM 1486 CG ARG A 96 -11.923 -15.854 4.893 1.00 0.00 C ATOM 1487 CD ARG A 96 -12.614 -17.217 4.815 1.00 0.00 C ATOM 1488 NE ARG A 96 -13.822 -17.221 5.670 1.00 0.00 N ATOM 1489 CZ ARG A 96 -14.581 -18.303 5.893 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -14.261 -19.474 5.327 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -15.659 -18.213 6.684 1.00 0.00 N ATOM 0 H ARG A 96 -9.253 -13.636 4.713 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.367 -16.545 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.938 -14.848 3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.854 -16.596 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.515 -15.706 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.653 -15.062 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.888 -17.437 3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.928 -18.001 5.136 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.094 -16.346 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.440 -19.542 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.839 -20.297 5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.902 -17.321 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.237 -19.036 6.854 1.00 0.00 H new ATOM 1505 N PRO A 97 -7.721 -17.075 3.445 1.00 0.00 N ATOM 1506 CA PRO A 97 -6.665 -17.356 2.487 1.00 0.00 C ATOM 1507 C PRO A 97 -7.242 -17.584 1.088 1.00 0.00 C ATOM 1508 O PRO A 97 -8.147 -18.397 0.911 1.00 0.00 O ATOM 1509 CB PRO A 97 -5.947 -18.576 3.040 1.00 0.00 C ATOM 1510 CG PRO A 97 -6.907 -19.210 4.034 1.00 0.00 C ATOM 1511 CD PRO A 97 -8.007 -18.203 4.326 1.00 0.00 C ATOM 0 HA PRO A 97 -5.972 -16.523 2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.693 -19.274 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.013 -18.293 3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.329 -20.128 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.384 -19.480 4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.992 -18.623 4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.998 -17.900 5.373 1.00 0.00 H new ATOM 1519 N PHE A 98 -6.693 -16.851 0.130 1.00 0.00 N ATOM 1520 CA PHE A 98 -7.141 -16.963 -1.247 1.00 0.00 C ATOM 1521 C PHE A 98 -7.205 -18.428 -1.686 1.00 0.00 C ATOM 1522 O PHE A 98 -6.683 -19.307 -1.003 1.00 0.00 O ATOM 1523 CB PHE A 98 -6.115 -16.228 -2.113 1.00 0.00 C ATOM 1524 CG PHE A 98 -5.941 -14.752 -1.752 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -5.040 -14.385 -0.802 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -6.687 -13.805 -2.383 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -4.878 -13.015 -0.468 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -6.525 -12.435 -2.048 1.00 0.00 C ATOM 1529 CZ PHE A 98 -5.624 -12.068 -1.098 1.00 0.00 C ATOM 0 H PHE A 98 -5.942 -16.177 0.281 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.139 -16.537 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.152 -16.730 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.416 -16.303 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.447 -15.136 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.402 -14.095 -3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.162 -12.724 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.118 -11.684 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.501 -11.026 -0.844 1.00 0.00 H new ATOM 1539 N PRO A 99 -7.866 -18.649 -2.853 1.00 0.00 N ATOM 1540 CA PRO A 99 -8.006 -19.992 -3.391 1.00 0.00 C ATOM 1541 C PRO A 99 -6.690 -20.476 -4.004 1.00 0.00 C ATOM 1542 O PRO A 99 -6.656 -20.891 -5.161 1.00 0.00 O ATOM 1543 CB PRO A 99 -9.133 -19.895 -4.405 1.00 0.00 C ATOM 1544 CG PRO A 99 -9.270 -18.417 -4.736 1.00 0.00 C ATOM 1545 CD PRO A 99 -8.497 -17.632 -3.689 1.00 0.00 C ATOM 0 HA PRO A 99 -8.242 -20.730 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.905 -20.476 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.062 -20.291 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.880 -18.211 -5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.319 -18.122 -4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.754 -16.982 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.159 -16.994 -3.104 1.00 0.00 H new ATOM 1553 N GLY A 100 -5.639 -20.407 -3.200 1.00 0.00 N ATOM 1554 CA GLY A 100 -4.324 -20.833 -3.649 1.00 0.00 C ATOM 1555 C GLY A 100 -3.224 -19.990 -3.002 1.00 0.00 C ATOM 1556 O GLY A 100 -2.253 -20.530 -2.473 1.00 0.00 O ATOM 0 H GLY A 100 -5.671 -20.063 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.174 -21.884 -3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.261 -20.748 -4.734 1.00 0.00 H new ATOM 1560 N LEU A 101 -3.412 -18.680 -3.064 1.00 0.00 N ATOM 1561 CA LEU A 101 -2.447 -17.758 -2.490 1.00 0.00 C ATOM 1562 C LEU A 101 -1.044 -18.127 -2.975 1.00 0.00 C ATOM 1563 O LEU A 101 -0.853 -19.169 -3.600 1.00 0.00 O ATOM 1564 CB LEU A 101 -2.582 -17.721 -0.967 1.00 0.00 C ATOM 1565 CG LEU A 101 -1.783 -16.631 -0.249 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -2.070 -15.254 -0.852 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -2.045 -16.662 1.258 1.00 0.00 C ATOM 0 H LEU A 101 -4.218 -18.235 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.644 -16.741 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.636 -17.595 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.275 -18.689 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.722 -16.832 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.490 -14.497 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.793 -15.253 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.132 -15.029 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.465 -15.878 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.106 -16.499 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.751 -17.632 1.659 1.00 0.00 H new ATOM 1579 N VAL A 102 -0.097 -17.252 -2.668 1.00 0.00 N ATOM 1580 CA VAL A 102 1.283 -17.473 -3.065 1.00 0.00 C ATOM 1581 C VAL A 102 2.214 -16.922 -1.983 1.00 0.00 C ATOM 1582 O VAL A 102 2.010 -15.814 -1.489 1.00 0.00 O ATOM 1583 CB VAL A 102 1.536 -16.858 -4.443 1.00 0.00 C ATOM 1584 CG1 VAL A 102 2.977 -17.105 -4.897 1.00 0.00 C ATOM 1585 CG2 VAL A 102 0.538 -17.389 -5.473 1.00 0.00 C ATOM 0 H VAL A 102 -0.259 -16.389 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 102 1.488 -18.539 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 102 1.390 -15.781 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.131 -16.658 -5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.666 -16.656 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.162 -18.178 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.741 -16.936 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.637 -18.472 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.476 -17.139 -5.160 1.00 0.00 H new ATOM 1595 N ILE A 103 3.217 -17.720 -1.648 1.00 0.00 N ATOM 1596 CA ILE A 103 4.180 -17.326 -0.634 1.00 0.00 C ATOM 1597 C ILE A 103 5.563 -17.857 -1.017 1.00 0.00 C ATOM 1598 O ILE A 103 6.134 -18.683 -0.307 1.00 0.00 O ATOM 1599 CB ILE A 103 3.713 -17.773 0.752 1.00 0.00 C ATOM 1600 CG1 ILE A 103 2.185 -17.781 0.839 1.00 0.00 C ATOM 1601 CG2 ILE A 103 4.345 -16.913 1.848 1.00 0.00 C ATOM 1602 CD1 ILE A 103 1.719 -17.966 2.285 1.00 0.00 C ATOM 0 H ILE A 103 3.384 -18.638 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 103 4.257 -16.240 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 103 4.050 -18.797 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.790 -16.846 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.786 -18.584 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.996 -17.252 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 103 5.430 -17.002 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.060 -15.871 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.630 -17.968 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.096 -18.913 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.099 -17.148 2.897 1.00 0.00 H new ATOM 1614 N ASN A 104 6.063 -17.360 -2.139 1.00 0.00 N ATOM 1615 CA ASN A 104 7.368 -17.773 -2.626 1.00 0.00 C ATOM 1616 C ASN A 104 8.080 -16.571 -3.248 1.00 0.00 C ATOM 1617 O ASN A 104 7.586 -15.980 -4.207 1.00 0.00 O ATOM 1618 CB ASN A 104 7.238 -18.854 -3.700 1.00 0.00 C ATOM 1619 CG ASN A 104 8.108 -20.068 -3.366 1.00 0.00 C ATOM 1620 OD1 ASN A 104 7.707 -21.211 -3.513 1.00 0.00 O ATOM 1621 ND2 ASN A 104 9.317 -19.757 -2.908 1.00 0.00 N ATOM 0 H ASN A 104 5.587 -16.674 -2.725 1.00 0.00 H new ATOM 0 HA ASN A 104 7.933 -18.169 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.196 -19.162 -3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.532 -18.447 -4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.972 -20.497 -2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.589 -18.779 -2.809 1.00 0.00 H new ATOM 1628 N ASN A 105 9.230 -16.244 -2.677 1.00 0.00 N ATOM 1629 CA ASN A 105 10.016 -15.123 -3.164 1.00 0.00 C ATOM 1630 C ASN A 105 10.228 -15.271 -4.672 1.00 0.00 C ATOM 1631 O ASN A 105 10.031 -16.351 -5.227 1.00 0.00 O ATOM 1632 CB ASN A 105 11.391 -15.081 -2.494 1.00 0.00 C ATOM 1633 CG ASN A 105 12.350 -16.076 -3.151 1.00 0.00 C ATOM 1634 OD1 ASN A 105 13.309 -15.709 -3.811 1.00 0.00 O ATOM 1635 ND2 ASN A 105 12.040 -17.351 -2.935 1.00 0.00 N ATOM 0 H ASN A 105 9.637 -16.736 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 105 9.475 -14.206 -2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 105 11.803 -14.074 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.290 -15.313 -1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 105 12.619 -18.091 -3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.223 -17.589 -2.373 1.00 0.00 H new ATOM 1642 N GLN A 106 10.627 -14.170 -5.292 1.00 0.00 N ATOM 1643 CA GLN A 106 10.868 -14.164 -6.724 1.00 0.00 C ATOM 1644 C GLN A 106 10.849 -12.730 -7.260 1.00 0.00 C ATOM 1645 O GLN A 106 9.836 -12.275 -7.789 1.00 0.00 O ATOM 1646 CB GLN A 106 9.846 -15.036 -7.456 1.00 0.00 C ATOM 1647 CG GLN A 106 10.468 -16.366 -7.886 1.00 0.00 C ATOM 1648 CD GLN A 106 11.213 -16.219 -9.214 1.00 0.00 C ATOM 1649 OE1 GLN A 106 12.393 -15.914 -9.263 1.00 0.00 O ATOM 1650 NE2 GLN A 106 10.460 -16.454 -10.285 1.00 0.00 N ATOM 0 H GLN A 106 10.789 -13.276 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 106 11.856 -14.587 -6.908 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.991 -15.223 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.471 -14.506 -8.331 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.156 -16.716 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.688 -17.121 -7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.478 -16.705 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.865 -16.383 -11.219 1.00 0.00 H new ATOM 1659 N LEU A 107 11.981 -12.060 -7.104 1.00 0.00 N ATOM 1660 CA LEU A 107 12.107 -10.687 -7.565 1.00 0.00 C ATOM 1661 C LEU A 107 11.910 -10.643 -9.082 1.00 0.00 C ATOM 1662 O LEU A 107 12.297 -11.572 -9.789 1.00 0.00 O ATOM 1663 CB LEU A 107 13.434 -10.086 -7.099 1.00 0.00 C ATOM 1664 CG LEU A 107 13.494 -9.644 -5.636 1.00 0.00 C ATOM 1665 CD1 LEU A 107 12.593 -8.432 -5.392 1.00 0.00 C ATOM 1666 CD2 LEU A 107 13.158 -10.805 -4.698 1.00 0.00 C ATOM 0 H LEU A 107 12.819 -12.442 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 107 11.329 -10.064 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.222 -10.820 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 107 13.660 -9.225 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 107 14.516 -9.336 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 107 12.654 -8.138 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 107 12.919 -7.604 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 107 11.563 -8.689 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 107 13.208 -10.464 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.152 -11.167 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.874 -11.613 -4.848 1.00 0.00 H new ATOM 1678 N VAL A 108 11.309 -9.554 -9.537 1.00 0.00 N ATOM 1679 CA VAL A 108 11.056 -9.377 -10.956 1.00 0.00 C ATOM 1680 C VAL A 108 12.378 -9.464 -11.721 1.00 0.00 C ATOM 1681 O VAL A 108 13.323 -8.736 -11.420 1.00 0.00 O ATOM 1682 CB VAL A 108 10.314 -8.060 -11.195 1.00 0.00 C ATOM 1683 CG1 VAL A 108 10.214 -7.751 -12.690 1.00 0.00 C ATOM 1684 CG2 VAL A 108 8.928 -8.086 -10.547 1.00 0.00 C ATOM 0 H VAL A 108 10.990 -8.785 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 108 10.411 -10.172 -11.330 1.00 0.00 H new ATOM 0 HB VAL A 108 10.889 -7.262 -10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 108 9.682 -6.810 -12.832 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.215 -7.669 -13.112 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.673 -8.553 -13.192 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.422 -7.138 -10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.342 -8.900 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.031 -8.239 -9.473 1.00 0.00 H new ATOM 1694 N SER A 109 12.404 -10.363 -12.694 1.00 0.00 N ATOM 1695 CA SER A 109 13.595 -10.555 -13.504 1.00 0.00 C ATOM 1696 C SER A 109 14.037 -9.222 -14.110 1.00 0.00 C ATOM 1697 O SER A 109 15.163 -8.778 -13.890 1.00 0.00 O ATOM 1698 CB SER A 109 13.350 -11.585 -14.608 1.00 0.00 C ATOM 1699 OG SER A 109 14.373 -11.557 -15.600 1.00 0.00 O ATOM 0 H SER A 109 11.619 -10.967 -12.940 1.00 0.00 H new ATOM 0 HA SER A 109 14.389 -10.934 -12.860 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.298 -12.581 -14.169 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.385 -11.392 -15.077 1.00 0.00 H new ATOM 0 HG SER A 109 14.182 -12.230 -16.286 1.00 0.00 H new ATOM 1705 N GLY A 110 13.127 -8.620 -14.862 1.00 0.00 N ATOM 1706 CA GLY A 110 13.409 -7.346 -15.502 1.00 0.00 C ATOM 1707 C GLY A 110 13.324 -7.467 -17.025 1.00 0.00 C ATOM 1708 O GLY A 110 14.345 -7.584 -17.700 1.00 0.00 O ATOM 0 H GLY A 110 12.194 -8.991 -15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.700 -6.595 -15.153 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.403 -7.003 -15.216 1.00 0.00 H new ATOM 1712 N PRO A 111 12.063 -7.433 -17.535 1.00 0.00 N ATOM 1713 CA PRO A 111 11.831 -7.537 -18.965 1.00 0.00 C ATOM 1714 C PRO A 111 12.190 -6.230 -19.675 1.00 0.00 C ATOM 1715 O PRO A 111 12.500 -5.232 -19.027 1.00 0.00 O ATOM 1716 CB PRO A 111 10.362 -7.902 -19.100 1.00 0.00 C ATOM 1717 CG PRO A 111 9.718 -7.534 -17.773 1.00 0.00 C ATOM 1718 CD PRO A 111 10.830 -7.295 -16.765 1.00 0.00 C ATOM 0 HA PRO A 111 12.460 -8.290 -19.439 1.00 0.00 H new ATOM 0 HB2 PRO A 111 9.898 -7.358 -19.923 1.00 0.00 H new ATOM 0 HB3 PRO A 111 10.241 -8.964 -19.312 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.103 -6.641 -17.882 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.060 -8.334 -17.433 1.00 0.00 H new ATOM 0 HD2 PRO A 111 10.752 -6.305 -16.316 1.00 0.00 H new ATOM 0 HD3 PRO A 111 10.789 -8.018 -15.950 1.00 0.00 H new ATOM 1726 N SER A 112 12.137 -6.279 -20.998 1.00 0.00 N ATOM 1727 CA SER A 112 12.453 -5.112 -21.804 1.00 0.00 C ATOM 1728 C SER A 112 11.882 -3.853 -21.147 1.00 0.00 C ATOM 1729 O SER A 112 10.675 -3.621 -21.188 1.00 0.00 O ATOM 1730 CB SER A 112 11.911 -5.261 -23.227 1.00 0.00 C ATOM 1731 OG SER A 112 10.489 -5.360 -23.249 1.00 0.00 O ATOM 0 H SER A 112 11.880 -7.109 -21.532 1.00 0.00 H new ATOM 0 HA SER A 112 13.538 -5.022 -21.866 1.00 0.00 H new ATOM 0 HB2 SER A 112 12.224 -4.406 -23.826 1.00 0.00 H new ATOM 0 HB3 SER A 112 12.343 -6.149 -23.689 1.00 0.00 H new ATOM 0 HG SER A 112 10.111 -4.793 -22.545 1.00 0.00 H new ATOM 1737 N SER A 113 12.777 -3.074 -20.557 1.00 0.00 N ATOM 1738 CA SER A 113 12.377 -1.845 -19.893 1.00 0.00 C ATOM 1739 C SER A 113 11.670 -2.169 -18.576 1.00 0.00 C ATOM 1740 O SER A 113 12.115 -1.748 -17.509 1.00 0.00 O ATOM 1741 CB SER A 113 11.468 -1.005 -20.791 1.00 0.00 C ATOM 1742 OG SER A 113 12.041 0.265 -21.093 1.00 0.00 O ATOM 0 H SER A 113 13.777 -3.270 -20.525 1.00 0.00 H new ATOM 0 HA SER A 113 13.274 -1.262 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.275 -1.545 -21.718 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.506 -0.861 -20.300 1.00 0.00 H new ATOM 0 HG SER A 113 11.431 0.770 -21.670 1.00 0.00 H new ATOM 1748 N GLY A 114 10.580 -2.913 -18.693 1.00 0.00 N ATOM 1749 CA GLY A 114 9.808 -3.297 -17.524 1.00 0.00 C ATOM 1750 C GLY A 114 8.796 -2.211 -17.154 1.00 0.00 C ATOM 1751 O GLY A 114 7.596 -2.376 -17.365 1.00 0.00 O ATOM 0 H GLY A 114 10.213 -3.260 -19.579 1.00 0.00 H new ATOM 0 HA2 GLY A 114 9.286 -4.234 -17.720 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.479 -3.476 -16.684 1.00 0.00 H new TER 1755 GLY A 114