USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 949 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 108 HIS : no HD1:sc= -0.0204 K(o=-1.5,f=-2.8) USER MOD Set 1.2: A 112 SER OG : rot -120:sc= -1.49 USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 105 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.85) USER MOD Set 3.1: A 41 GLN : amide:sc= -1.99 X(o=-2,f=-2.1!) USER MOD Set 3.2: A 84 SER OG : rot -6:sc= 0.00497 USER MOD Set 4.1: A 14 GLN :FLIP amide:sc= -1.35 F(o=-4.2,f=-3.6) USER MOD Set 4.2: A 45 THR OG1 : rot 140:sc= -2.28 USER MOD Set 5.1: A 37 TYR OH : rot 170:sc= 1.3 USER MOD Set 5.2: A 39 TYR OH : rot 15:sc= 1.07 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.299 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -160:sc= -1.47 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc=-0.00173 F(o=-0.78,f=-0.0017) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.314) USER MOD Single : A 51 THR OG1 : rot 19:sc= 0.43 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00223 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= 0.162 (180deg=0.00293) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= -1.01 (180deg=-1.32) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -160:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -117:sc= -0.038 (180deg=-0.415) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.00198 USER MOD Single : A 95 TYR OH : rot -25:sc= 1.27 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.69 K(o=-1.7,f=-7.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.01 K(o=-1,f=-2.8!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot -15:sc= -0.293 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.142 8.415 16.501 1.00 0.00 N ATOM 2 CA GLY A 1 10.301 8.621 15.337 1.00 0.00 C ATOM 3 C GLY A 1 9.840 10.059 15.202 1.00 0.00 C ATOM 4 O GLY A 1 8.679 10.373 15.467 1.00 0.00 O ATOM 0 H1 GLY A 1 11.431 7.417 16.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.987 9.017 16.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.612 8.663 17.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.850 8.333 14.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.431 7.968 15.401 1.00 0.00 H new ATOM 8 N SER A 2 10.751 10.935 14.791 1.00 0.00 N ATOM 9 CA SER A 2 10.433 12.349 14.628 1.00 0.00 C ATOM 10 C SER A 2 11.013 12.889 13.324 1.00 0.00 C ATOM 11 O SER A 2 12.012 12.378 12.818 1.00 0.00 O ATOM 12 CB SER A 2 10.971 13.155 15.811 1.00 0.00 C ATOM 13 OG SER A 2 10.317 14.408 15.915 1.00 0.00 O ATOM 0 H SER A 2 11.715 10.691 14.565 1.00 0.00 H new ATOM 0 HA SER A 2 9.348 12.450 14.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.831 12.591 16.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.043 13.310 15.692 1.00 0.00 H new ATOM 0 HG SER A 2 10.678 14.903 16.680 1.00 0.00 H new ATOM 19 N SER A 3 10.379 13.926 12.786 1.00 0.00 N ATOM 20 CA SER A 3 10.829 14.534 11.539 1.00 0.00 C ATOM 21 C SER A 3 11.856 15.629 11.809 1.00 0.00 C ATOM 22 O SER A 3 11.716 16.410 12.749 1.00 0.00 O ATOM 23 CB SER A 3 9.639 15.113 10.771 1.00 0.00 C ATOM 24 OG SER A 3 10.069 15.813 9.617 1.00 0.00 O ATOM 0 H SER A 3 9.552 14.363 13.194 1.00 0.00 H new ATOM 0 HA SER A 3 11.300 13.759 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.963 14.309 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.076 15.785 11.419 1.00 0.00 H new ATOM 0 HG SER A 3 9.290 16.172 9.143 1.00 0.00 H new ATOM 30 N GLY A 4 12.891 15.679 10.975 1.00 0.00 N ATOM 31 CA GLY A 4 13.928 16.681 11.139 1.00 0.00 C ATOM 32 C GLY A 4 14.533 17.111 9.818 1.00 0.00 C ATOM 33 O GLY A 4 15.742 17.317 9.719 1.00 0.00 O ATOM 0 H GLY A 4 13.029 15.044 10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.511 17.552 11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.713 16.285 11.783 1.00 0.00 H new ATOM 37 N SER A 5 13.690 17.246 8.799 1.00 0.00 N ATOM 38 CA SER A 5 14.149 17.649 7.475 1.00 0.00 C ATOM 39 C SER A 5 14.439 19.146 7.433 1.00 0.00 C ATOM 40 O SER A 5 13.625 19.960 7.869 1.00 0.00 O ATOM 41 CB SER A 5 13.103 17.291 6.418 1.00 0.00 C ATOM 42 OG SER A 5 12.804 15.906 6.445 1.00 0.00 O ATOM 0 H SER A 5 12.685 17.082 8.865 1.00 0.00 H new ATOM 0 HA SER A 5 15.072 17.111 7.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.194 17.866 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.470 17.568 5.430 1.00 0.00 H new ATOM 0 HG SER A 5 12.132 15.703 5.761 1.00 0.00 H new ATOM 48 N SER A 6 15.606 19.502 6.905 1.00 0.00 N ATOM 49 CA SER A 6 16.007 20.901 6.809 1.00 0.00 C ATOM 50 C SER A 6 15.452 21.539 5.539 1.00 0.00 C ATOM 51 O SER A 6 14.845 22.608 5.583 1.00 0.00 O ATOM 52 CB SER A 6 17.532 21.019 6.828 1.00 0.00 C ATOM 53 OG SER A 6 18.060 20.615 8.080 1.00 0.00 O ATOM 0 H SER A 6 16.290 18.841 6.537 1.00 0.00 H new ATOM 0 HA SER A 6 15.598 21.430 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.957 20.404 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.823 22.049 6.623 1.00 0.00 H new ATOM 0 HG SER A 6 19.036 20.698 8.065 1.00 0.00 H new ATOM 59 N GLY A 7 15.667 20.874 4.408 1.00 0.00 N ATOM 60 CA GLY A 7 15.182 21.391 3.141 1.00 0.00 C ATOM 61 C GLY A 7 16.256 22.132 2.369 1.00 0.00 C ATOM 62 O GLY A 7 17.411 22.178 2.789 1.00 0.00 O ATOM 0 H GLY A 7 16.168 19.988 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.807 20.566 2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.342 22.061 3.323 1.00 0.00 H new ATOM 66 N GLU A 8 15.873 22.713 1.236 1.00 0.00 N ATOM 67 CA GLU A 8 16.813 23.454 0.403 1.00 0.00 C ATOM 68 C GLU A 8 16.430 24.930 0.331 1.00 0.00 C ATOM 69 O GLU A 8 15.356 25.328 0.785 1.00 0.00 O ATOM 70 CB GLU A 8 16.859 22.859 -1.005 1.00 0.00 C ATOM 71 CG GLU A 8 17.416 21.446 -1.051 1.00 0.00 C ATOM 72 CD GLU A 8 17.009 20.699 -2.307 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.944 20.047 -2.291 1.00 0.00 O ATOM 74 OE2 GLU A 8 17.756 20.768 -3.305 1.00 0.00 O ATOM 0 H GLU A 8 14.920 22.685 0.874 1.00 0.00 H new ATOM 0 HA GLU A 8 17.801 23.374 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.852 22.857 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.467 23.501 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.504 21.486 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.070 20.895 -0.177 1.00 0.00 H new ATOM 81 N THR A 9 17.316 25.738 -0.241 1.00 0.00 N ATOM 82 CA THR A 9 17.074 27.169 -0.372 1.00 0.00 C ATOM 83 C THR A 9 15.658 27.444 -0.866 1.00 0.00 C ATOM 84 O THR A 9 15.159 26.763 -1.761 1.00 0.00 O ATOM 85 CB THR A 9 18.079 27.824 -1.338 1.00 0.00 C ATOM 86 OG1 THR A 9 19.360 27.940 -0.708 1.00 0.00 O ATOM 87 CG2 THR A 9 17.595 29.199 -1.772 1.00 0.00 C ATOM 0 H THR A 9 18.209 25.425 -0.622 1.00 0.00 H new ATOM 0 HA THR A 9 17.201 27.602 0.620 1.00 0.00 H new ATOM 0 HB THR A 9 18.165 27.191 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.994 28.356 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.321 29.642 -2.454 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.634 29.104 -2.277 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.483 29.838 -0.896 1.00 0.00 H new ATOM 95 N GLY A 10 15.015 28.448 -0.278 1.00 0.00 N ATOM 96 CA GLY A 10 13.663 28.796 -0.673 1.00 0.00 C ATOM 97 C GLY A 10 12.623 27.892 -0.039 1.00 0.00 C ATOM 98 O GLY A 10 12.961 26.977 0.711 1.00 0.00 O ATOM 0 H GLY A 10 15.407 29.027 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.461 29.830 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.578 28.737 -1.758 1.00 0.00 H new ATOM 102 N GLY A 11 11.354 28.150 -0.341 1.00 0.00 N ATOM 103 CA GLY A 11 10.282 27.345 0.214 1.00 0.00 C ATOM 104 C GLY A 11 9.593 26.494 -0.834 1.00 0.00 C ATOM 105 O GLY A 11 8.765 26.989 -1.598 1.00 0.00 O ATOM 0 H GLY A 11 11.050 28.902 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.684 26.699 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.549 27.998 0.687 1.00 0.00 H new ATOM 109 N GLU A 12 9.938 25.210 -0.872 1.00 0.00 N ATOM 110 CA GLU A 12 9.348 24.290 -1.837 1.00 0.00 C ATOM 111 C GLU A 12 7.864 24.080 -1.552 1.00 0.00 C ATOM 112 O GLU A 12 7.339 24.563 -0.548 1.00 0.00 O ATOM 113 CB GLU A 12 10.080 22.947 -1.808 1.00 0.00 C ATOM 114 CG GLU A 12 11.497 23.014 -2.350 1.00 0.00 C ATOM 115 CD GLU A 12 12.404 21.959 -1.746 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.654 22.020 -0.524 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.862 21.071 -2.496 1.00 0.00 O ATOM 0 H GLU A 12 10.622 24.784 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 12 9.450 24.730 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.110 22.581 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.512 22.221 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.474 22.891 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.912 24.002 -2.150 1.00 0.00 H new ATOM 124 N ARG A 13 7.193 23.356 -2.442 1.00 0.00 N ATOM 125 CA ARG A 13 5.769 23.083 -2.287 1.00 0.00 C ATOM 126 C ARG A 13 5.495 22.349 -0.978 1.00 0.00 C ATOM 127 O ARG A 13 6.414 22.075 -0.205 1.00 0.00 O ATOM 128 CB ARG A 13 5.256 22.254 -3.466 1.00 0.00 C ATOM 129 CG ARG A 13 5.304 22.990 -4.795 1.00 0.00 C ATOM 130 CD ARG A 13 5.328 22.022 -5.967 1.00 0.00 C ATOM 131 NE ARG A 13 6.687 21.624 -6.321 1.00 0.00 N ATOM 132 CZ ARG A 13 7.013 21.075 -7.486 1.00 0.00 C ATOM 133 NH1 ARG A 13 6.081 20.860 -8.405 1.00 0.00 N ATOM 134 NH2 ARG A 13 8.273 20.739 -7.734 1.00 0.00 N ATOM 0 H ARG A 13 7.612 22.948 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 13 5.242 24.037 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.849 21.343 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.229 21.950 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.437 23.645 -4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.189 23.626 -4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.744 21.136 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.850 22.486 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 13 7.427 21.776 -5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.112 21.116 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.334 20.438 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.992 20.902 -7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.522 20.318 -8.629 1.00 0.00 H new ATOM 148 N GLN A 14 4.227 22.033 -0.736 1.00 0.00 N ATOM 149 CA GLN A 14 3.833 21.332 0.481 1.00 0.00 C ATOM 150 C GLN A 14 3.132 20.019 0.149 1.00 0.00 C ATOM 151 O GLN A 14 1.933 19.997 -0.132 1.00 0.00 O ATOM 152 CB GLN A 14 2.915 22.214 1.329 1.00 0.00 C ATOM 153 CG GLN A 14 1.875 22.968 0.516 1.00 0.00 C ATOM 154 CD GLN A 14 1.259 24.122 1.283 1.00 0.00 C ATOM 155 OE1 GLN A 14 1.189 23.986 2.602 1.00 0.00 O flip ATOM 156 NE2 GLN A 14 0.850 25.124 0.696 1.00 0.00 N flip ATOM 0 H GLN A 14 3.455 22.251 -1.366 1.00 0.00 H new ATOM 0 HA GLN A 14 4.735 21.108 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.407 21.592 2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.522 22.931 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.337 23.348 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.088 22.278 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.924 25.186 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.437 25.892 1.225 1.00 0.00 H new ATOM 165 N LEU A 15 3.887 18.926 0.183 1.00 0.00 N ATOM 166 CA LEU A 15 3.338 17.608 -0.114 1.00 0.00 C ATOM 167 C LEU A 15 2.318 17.192 0.941 1.00 0.00 C ATOM 168 O LEU A 15 2.594 17.244 2.140 1.00 0.00 O ATOM 169 CB LEU A 15 4.461 16.572 -0.191 1.00 0.00 C ATOM 170 CG LEU A 15 4.086 15.145 0.212 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.891 14.659 -0.594 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.272 14.210 0.027 1.00 0.00 C ATOM 0 H LEU A 15 4.881 18.927 0.413 1.00 0.00 H new ATOM 0 HA LEU A 15 2.834 17.661 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.840 16.552 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.280 16.905 0.447 1.00 0.00 H new ATOM 0 HG LEU A 15 3.810 15.146 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.639 13.642 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.039 15.313 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.138 14.673 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.987 13.199 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.578 14.213 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.101 14.547 0.649 1.00 0.00 H new ATOM 184 N SER A 16 1.139 16.778 0.487 1.00 0.00 N ATOM 185 CA SER A 16 0.077 16.355 1.392 1.00 0.00 C ATOM 186 C SER A 16 -0.363 14.927 1.082 1.00 0.00 C ATOM 187 O SER A 16 -0.725 14.592 -0.046 1.00 0.00 O ATOM 188 CB SER A 16 -1.119 17.303 1.287 1.00 0.00 C ATOM 189 OG SER A 16 -2.098 16.998 2.265 1.00 0.00 O ATOM 0 H SER A 16 0.895 16.727 -0.502 1.00 0.00 H new ATOM 0 HA SER A 16 0.467 16.385 2.410 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.783 18.332 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.559 17.230 0.292 1.00 0.00 H new ATOM 0 HG SER A 16 -2.851 17.619 2.178 1.00 0.00 H new ATOM 195 N PRO A 17 -0.331 14.064 2.109 1.00 0.00 N ATOM 196 CA PRO A 17 -0.723 12.658 1.973 1.00 0.00 C ATOM 197 C PRO A 17 -2.223 12.493 1.753 1.00 0.00 C ATOM 198 O PRO A 17 -2.652 11.811 0.823 1.00 0.00 O ATOM 199 CB PRO A 17 -0.308 12.043 3.312 1.00 0.00 C ATOM 200 CG PRO A 17 -0.319 13.182 4.271 1.00 0.00 C ATOM 201 CD PRO A 17 0.090 14.394 3.481 1.00 0.00 C ATOM 0 HA PRO A 17 -0.256 12.186 1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.001 11.260 3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.680 11.588 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.309 13.316 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.370 13.004 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.401 15.296 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.164 14.569 3.541 1.00 0.00 H new ATOM 209 N GLU A 18 -3.016 13.123 2.615 1.00 0.00 N ATOM 210 CA GLU A 18 -4.468 13.045 2.514 1.00 0.00 C ATOM 211 C GLU A 18 -4.936 13.410 1.108 1.00 0.00 C ATOM 212 O GLU A 18 -5.862 12.802 0.571 1.00 0.00 O ATOM 213 CB GLU A 18 -5.124 13.973 3.538 1.00 0.00 C ATOM 214 CG GLU A 18 -4.712 15.428 3.392 1.00 0.00 C ATOM 215 CD GLU A 18 -5.170 16.283 4.558 1.00 0.00 C ATOM 216 OE1 GLU A 18 -4.663 16.078 5.680 1.00 0.00 O ATOM 217 OE2 GLU A 18 -6.036 17.158 4.347 1.00 0.00 O ATOM 0 H GLU A 18 -2.677 13.692 3.390 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.766 12.017 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.207 13.899 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.870 13.631 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.627 15.488 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.127 15.828 2.467 1.00 0.00 H new ATOM 224 N LYS A 19 -4.289 14.409 0.516 1.00 0.00 N ATOM 225 CA LYS A 19 -4.637 14.857 -0.827 1.00 0.00 C ATOM 226 C LYS A 19 -4.246 13.812 -1.867 1.00 0.00 C ATOM 227 O LYS A 19 -4.933 13.637 -2.873 1.00 0.00 O ATOM 228 CB LYS A 19 -3.945 16.186 -1.138 1.00 0.00 C ATOM 229 CG LYS A 19 -4.513 17.364 -0.365 1.00 0.00 C ATOM 230 CD LYS A 19 -5.625 18.053 -1.138 1.00 0.00 C ATOM 231 CE LYS A 19 -6.626 17.050 -1.690 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.677 17.710 -2.513 1.00 0.00 N ATOM 0 H LYS A 19 -3.520 14.924 0.946 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.717 14.998 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.882 16.094 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.029 16.388 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.896 17.020 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.718 18.079 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.139 18.760 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.196 18.629 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.102 16.310 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.095 16.513 -0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.339 16.992 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.194 18.398 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.233 18.201 -3.315 1.00 0.00 H new ATOM 246 N SER A 20 -3.139 13.120 -1.617 1.00 0.00 N ATOM 247 CA SER A 20 -2.655 12.094 -2.533 1.00 0.00 C ATOM 248 C SER A 20 -3.789 11.166 -2.956 1.00 0.00 C ATOM 249 O SER A 20 -4.622 10.774 -2.139 1.00 0.00 O ATOM 250 CB SER A 20 -1.534 11.284 -1.880 1.00 0.00 C ATOM 251 OG SER A 20 -0.747 12.098 -1.028 1.00 0.00 O ATOM 0 H SER A 20 -2.560 13.251 -0.787 1.00 0.00 H new ATOM 0 HA SER A 20 -2.264 12.590 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.962 10.460 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.903 10.843 -2.651 1.00 0.00 H new ATOM 0 HG SER A 20 0.121 11.669 -0.876 1.00 0.00 H new ATOM 257 N GLU A 21 -3.814 10.818 -4.239 1.00 0.00 N ATOM 258 CA GLU A 21 -4.847 9.936 -4.771 1.00 0.00 C ATOM 259 C GLU A 21 -4.274 8.557 -5.088 1.00 0.00 C ATOM 260 O GLU A 21 -3.407 8.417 -5.951 1.00 0.00 O ATOM 261 CB GLU A 21 -5.469 10.543 -6.030 1.00 0.00 C ATOM 262 CG GLU A 21 -5.925 11.982 -5.850 1.00 0.00 C ATOM 263 CD GLU A 21 -6.860 12.439 -6.952 1.00 0.00 C ATOM 264 OE1 GLU A 21 -7.958 11.858 -7.080 1.00 0.00 O ATOM 265 OE2 GLU A 21 -6.494 13.380 -7.688 1.00 0.00 O ATOM 0 H GLU A 21 -3.132 11.133 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.620 9.824 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.742 10.500 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.322 9.936 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.427 12.083 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.053 12.635 -5.824 1.00 0.00 H new ATOM 272 N ILE A 22 -4.764 7.543 -4.383 1.00 0.00 N ATOM 273 CA ILE A 22 -4.302 6.176 -4.590 1.00 0.00 C ATOM 274 C ILE A 22 -5.300 5.378 -5.422 1.00 0.00 C ATOM 275 O ILE A 22 -6.351 4.971 -4.927 1.00 0.00 O ATOM 276 CB ILE A 22 -4.073 5.451 -3.250 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.957 6.137 -2.459 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.736 3.987 -3.491 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.563 5.393 -1.202 1.00 0.00 C ATOM 0 H ILE A 22 -5.480 7.642 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.355 6.241 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.991 5.501 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.081 6.242 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.279 7.143 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.577 3.488 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.560 3.506 -4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.830 3.916 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.767 5.936 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.427 5.310 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.211 4.396 -1.465 1.00 0.00 H new ATOM 291 N TRP A 23 -4.963 5.157 -6.688 1.00 0.00 N ATOM 292 CA TRP A 23 -5.829 4.406 -7.589 1.00 0.00 C ATOM 293 C TRP A 23 -5.139 3.135 -8.073 1.00 0.00 C ATOM 294 O TRP A 23 -3.912 3.048 -8.081 1.00 0.00 O ATOM 295 CB TRP A 23 -6.228 5.272 -8.785 1.00 0.00 C ATOM 296 CG TRP A 23 -5.168 5.352 -9.841 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.986 4.493 -10.887 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.142 6.344 -9.951 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.909 4.892 -11.641 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.374 6.026 -11.088 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.798 7.472 -9.201 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.285 6.794 -11.490 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.716 8.234 -9.601 1.00 0.00 C ATOM 304 CH2 TRP A 23 -1.971 7.893 -10.737 1.00 0.00 C ATOM 0 H TRP A 23 -4.097 5.487 -7.113 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.727 4.123 -7.039 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.141 4.871 -9.226 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.459 6.278 -8.435 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.599 3.627 -11.091 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.564 4.421 -12.477 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.367 7.744 -8.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.708 6.532 -12.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.441 9.107 -9.028 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.132 8.509 -11.024 1.00 0.00 H new ATOM 315 N GLY A 24 -5.937 2.151 -8.478 1.00 0.00 N ATOM 316 CA GLY A 24 -5.384 0.898 -8.958 1.00 0.00 C ATOM 317 C GLY A 24 -6.342 -0.263 -8.783 1.00 0.00 C ATOM 318 O GLY A 24 -7.143 -0.300 -7.848 1.00 0.00 O ATOM 0 H GLY A 24 -6.956 2.199 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.128 0.998 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.458 0.685 -8.424 1.00 0.00 H new ATOM 322 N PRO A 25 -6.268 -1.240 -9.699 1.00 0.00 N ATOM 323 CA PRO A 25 -7.130 -2.425 -9.664 1.00 0.00 C ATOM 324 C PRO A 25 -6.790 -3.355 -8.504 1.00 0.00 C ATOM 325 O PRO A 25 -7.407 -4.406 -8.336 1.00 0.00 O ATOM 326 CB PRO A 25 -6.842 -3.112 -11.001 1.00 0.00 C ATOM 327 CG PRO A 25 -5.471 -2.662 -11.372 1.00 0.00 C ATOM 328 CD PRO A 25 -5.338 -1.262 -10.840 1.00 0.00 C ATOM 0 HA PRO A 25 -8.178 -2.163 -9.520 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.890 -4.197 -10.907 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.571 -2.825 -11.759 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.715 -3.317 -10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.332 -2.684 -12.453 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.316 -1.046 -10.529 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.607 -0.520 -11.591 1.00 0.00 H new ATOM 336 N GLY A 26 -5.804 -2.959 -7.704 1.00 0.00 N ATOM 337 CA GLY A 26 -5.399 -3.768 -6.569 1.00 0.00 C ATOM 338 C GLY A 26 -6.476 -3.855 -5.506 1.00 0.00 C ATOM 339 O GLY A 26 -6.330 -4.581 -4.521 1.00 0.00 O ATOM 0 H GLY A 26 -5.279 -2.093 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.150 -4.772 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.494 -3.347 -6.131 1.00 0.00 H new ATOM 343 N LEU A 27 -7.560 -3.114 -5.703 1.00 0.00 N ATOM 344 CA LEU A 27 -8.667 -3.109 -4.752 1.00 0.00 C ATOM 345 C LEU A 27 -9.930 -3.685 -5.383 1.00 0.00 C ATOM 346 O LEU A 27 -10.717 -4.360 -4.719 1.00 0.00 O ATOM 347 CB LEU A 27 -8.934 -1.686 -4.257 1.00 0.00 C ATOM 348 CG LEU A 27 -7.707 -0.784 -4.115 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.128 0.671 -3.977 1.00 0.00 C ATOM 350 CD2 LEU A 27 -6.866 -1.213 -2.922 1.00 0.00 C ATOM 0 H LEU A 27 -7.697 -2.509 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.388 -3.736 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.633 -1.209 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.430 -1.747 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.101 -0.882 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.242 1.298 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.688 0.973 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.756 0.786 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.997 -0.561 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.463 -1.144 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.535 -2.242 -3.062 1.00 0.00 H new ATOM 362 N LYS A 28 -10.117 -3.418 -6.671 1.00 0.00 N ATOM 363 CA LYS A 28 -11.282 -3.912 -7.395 1.00 0.00 C ATOM 364 C LYS A 28 -11.536 -5.382 -7.078 1.00 0.00 C ATOM 365 O LYS A 28 -10.622 -6.111 -6.694 1.00 0.00 O ATOM 366 CB LYS A 28 -11.087 -3.730 -8.902 1.00 0.00 C ATOM 367 CG LYS A 28 -11.181 -2.284 -9.357 1.00 0.00 C ATOM 368 CD LYS A 28 -11.498 -2.186 -10.840 1.00 0.00 C ATOM 369 CE LYS A 28 -11.718 -0.744 -11.269 1.00 0.00 C ATOM 370 NZ LYS A 28 -10.436 -0.061 -11.598 1.00 0.00 N ATOM 0 H LYS A 28 -9.475 -2.861 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.149 -3.334 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.113 -4.128 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.837 -4.318 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.953 -1.771 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.240 -1.775 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.680 -2.618 -11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.389 -2.773 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.376 -0.720 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.224 -0.201 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.629 0.920 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.818 -0.061 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.965 -0.564 -12.377 1.00 0.00 H new ATOM 384 N ALA A 29 -12.783 -5.812 -7.242 1.00 0.00 N ATOM 385 CA ALA A 29 -13.155 -7.196 -6.977 1.00 0.00 C ATOM 386 C ALA A 29 -12.810 -8.094 -8.160 1.00 0.00 C ATOM 387 O ALA A 29 -12.210 -7.645 -9.137 1.00 0.00 O ATOM 388 CB ALA A 29 -14.640 -7.291 -6.656 1.00 0.00 C ATOM 0 H ALA A 29 -13.553 -5.221 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.584 -7.540 -6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.904 -8.330 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.861 -6.688 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.220 -6.923 -7.503 1.00 0.00 H new ATOM 394 N ASP A 30 -13.192 -9.362 -8.065 1.00 0.00 N ATOM 395 CA ASP A 30 -12.922 -10.324 -9.128 1.00 0.00 C ATOM 396 C ASP A 30 -11.533 -10.106 -9.719 1.00 0.00 C ATOM 397 O ASP A 30 -11.337 -10.212 -10.929 1.00 0.00 O ATOM 398 CB ASP A 30 -13.980 -10.210 -10.227 1.00 0.00 C ATOM 399 CG ASP A 30 -15.226 -11.016 -9.917 1.00 0.00 C ATOM 400 OD1 ASP A 30 -15.107 -12.245 -9.733 1.00 0.00 O ATOM 401 OD2 ASP A 30 -16.321 -10.417 -9.859 1.00 0.00 O ATOM 0 H ASP A 30 -13.690 -9.749 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.961 -11.325 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.252 -9.163 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.556 -10.550 -11.172 1.00 0.00 H new ATOM 406 N VAL A 31 -10.570 -9.800 -8.855 1.00 0.00 N ATOM 407 CA VAL A 31 -9.198 -9.567 -9.290 1.00 0.00 C ATOM 408 C VAL A 31 -8.675 -10.740 -10.111 1.00 0.00 C ATOM 409 O VAL A 31 -9.400 -11.701 -10.372 1.00 0.00 O ATOM 410 CB VAL A 31 -8.260 -9.336 -8.090 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.369 -7.902 -7.594 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.572 -10.321 -6.973 1.00 0.00 C ATOM 0 H VAL A 31 -10.715 -9.708 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.211 -8.670 -9.910 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.234 -9.504 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.699 -7.758 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.092 -7.218 -8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.395 -7.701 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.900 -10.144 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.603 -10.187 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.436 -11.339 -7.337 1.00 0.00 H new ATOM 422 N VAL A 32 -7.412 -10.655 -10.517 1.00 0.00 N ATOM 423 CA VAL A 32 -6.791 -11.711 -11.308 1.00 0.00 C ATOM 424 C VAL A 32 -6.538 -12.954 -10.464 1.00 0.00 C ATOM 425 O VAL A 32 -6.678 -12.926 -9.240 1.00 0.00 O ATOM 426 CB VAL A 32 -5.460 -11.241 -11.924 1.00 0.00 C ATOM 427 CG1 VAL A 32 -5.688 -10.060 -12.854 1.00 0.00 C ATOM 428 CG2 VAL A 32 -4.465 -10.884 -10.830 1.00 0.00 C ATOM 0 H VAL A 32 -6.799 -9.866 -10.311 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.487 -11.957 -12.110 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.043 -12.059 -12.512 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.736 -9.743 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.364 -10.354 -13.657 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.128 -9.235 -12.294 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.530 -10.554 -11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.873 -10.082 -10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.278 -11.760 -10.208 1.00 0.00 H new ATOM 438 N LEU A 33 -6.162 -14.044 -11.123 1.00 0.00 N ATOM 439 CA LEU A 33 -5.888 -15.300 -10.433 1.00 0.00 C ATOM 440 C LEU A 33 -4.894 -15.089 -9.295 1.00 0.00 C ATOM 441 O LEU A 33 -5.187 -15.345 -8.127 1.00 0.00 O ATOM 442 CB LEU A 33 -5.342 -16.337 -11.416 1.00 0.00 C ATOM 443 CG LEU A 33 -6.372 -17.285 -12.031 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.040 -16.640 -13.235 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.717 -18.601 -12.424 1.00 0.00 C ATOM 0 H LEU A 33 -6.040 -14.084 -12.135 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.824 -15.666 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.834 -15.810 -12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.589 -16.934 -10.902 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.138 -17.492 -11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.770 -17.330 -13.659 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.544 -15.725 -12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.286 -16.403 -13.986 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.465 -19.264 -12.860 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.930 -18.412 -13.154 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.287 -19.071 -11.540 1.00 0.00 H new ATOM 457 N PRO A 34 -3.690 -14.610 -9.641 1.00 0.00 N ATOM 458 CA PRO A 34 -2.629 -14.351 -8.663 1.00 0.00 C ATOM 459 C PRO A 34 -2.950 -13.166 -7.760 1.00 0.00 C ATOM 460 O PRO A 34 -3.571 -13.324 -6.709 1.00 0.00 O ATOM 461 CB PRO A 34 -1.409 -14.044 -9.535 1.00 0.00 C ATOM 462 CG PRO A 34 -1.978 -13.543 -10.818 1.00 0.00 C ATOM 463 CD PRO A 34 -3.272 -14.282 -11.015 1.00 0.00 C ATOM 0 HA PRO A 34 -2.485 -15.193 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.766 -13.297 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.801 -14.935 -9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.146 -12.467 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.294 -13.727 -11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.013 -13.666 -11.524 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.135 -15.179 -11.618 1.00 0.00 H new ATOM 471 N ALA A 35 -2.524 -11.978 -8.176 1.00 0.00 N ATOM 472 CA ALA A 35 -2.769 -10.765 -7.405 1.00 0.00 C ATOM 473 C ALA A 35 -2.758 -9.532 -8.303 1.00 0.00 C ATOM 474 O ALA A 35 -2.336 -9.598 -9.458 1.00 0.00 O ATOM 475 CB ALA A 35 -1.733 -10.625 -6.300 1.00 0.00 C ATOM 0 H ALA A 35 -2.007 -11.830 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.758 -10.844 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.928 -9.715 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.791 -11.487 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.737 -10.572 -6.740 1.00 0.00 H new ATOM 481 N ARG A 36 -3.225 -8.410 -7.765 1.00 0.00 N ATOM 482 CA ARG A 36 -3.270 -7.163 -8.519 1.00 0.00 C ATOM 483 C ARG A 36 -2.470 -6.072 -7.814 1.00 0.00 C ATOM 484 O ARG A 36 -2.249 -6.134 -6.604 1.00 0.00 O ATOM 485 CB ARG A 36 -4.719 -6.708 -8.705 1.00 0.00 C ATOM 486 CG ARG A 36 -5.379 -7.273 -9.952 1.00 0.00 C ATOM 487 CD ARG A 36 -5.111 -6.401 -11.169 1.00 0.00 C ATOM 488 NE ARG A 36 -6.028 -6.697 -12.267 1.00 0.00 N ATOM 489 CZ ARG A 36 -5.796 -6.356 -13.530 1.00 0.00 C ATOM 490 NH1 ARG A 36 -4.684 -5.710 -13.852 1.00 0.00 N ATOM 491 NH2 ARG A 36 -6.678 -6.660 -14.473 1.00 0.00 N ATOM 0 H ARG A 36 -3.577 -8.339 -6.810 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.823 -7.342 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.299 -7.004 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.746 -5.619 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.007 -8.281 -10.137 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.454 -7.354 -9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.205 -5.351 -10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.084 -6.551 -11.504 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.893 -7.192 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.004 -5.474 -13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.508 -5.449 -14.822 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.535 -7.156 -14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.499 -6.398 -15.442 1.00 0.00 H new ATOM 505 N TYR A 37 -2.036 -5.076 -8.578 1.00 0.00 N ATOM 506 CA TYR A 37 -1.258 -3.973 -8.028 1.00 0.00 C ATOM 507 C TYR A 37 -1.983 -2.645 -8.219 1.00 0.00 C ATOM 508 O TYR A 37 -3.104 -2.604 -8.728 1.00 0.00 O ATOM 509 CB TYR A 37 0.120 -3.914 -8.689 1.00 0.00 C ATOM 510 CG TYR A 37 0.099 -3.322 -10.080 1.00 0.00 C ATOM 511 CD1 TYR A 37 -0.173 -4.113 -11.190 1.00 0.00 C ATOM 512 CD2 TYR A 37 0.350 -1.971 -10.285 1.00 0.00 C ATOM 513 CE1 TYR A 37 -0.193 -3.576 -12.462 1.00 0.00 C ATOM 514 CE2 TYR A 37 0.331 -1.425 -11.554 1.00 0.00 C ATOM 515 CZ TYR A 37 0.059 -2.232 -12.639 1.00 0.00 C ATOM 516 OH TYR A 37 0.039 -1.693 -13.905 1.00 0.00 O ATOM 0 H TYR A 37 -2.210 -5.010 -9.581 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.134 -4.148 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.789 -3.325 -8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.534 -4.921 -8.738 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.372 -5.166 -11.055 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.564 -1.337 -9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.405 -4.205 -13.314 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.528 -0.373 -11.696 1.00 0.00 H new ATOM 0 HH TYR A 37 0.071 -0.715 -13.845 1.00 0.00 H new ATOM 526 N PHE A 38 -1.336 -1.560 -7.807 1.00 0.00 N ATOM 527 CA PHE A 38 -1.918 -0.229 -7.932 1.00 0.00 C ATOM 528 C PHE A 38 -0.829 0.832 -8.058 1.00 0.00 C ATOM 529 O PHE A 38 0.361 0.516 -8.080 1.00 0.00 O ATOM 530 CB PHE A 38 -2.807 0.077 -6.724 1.00 0.00 C ATOM 531 CG PHE A 38 -2.117 -0.126 -5.405 1.00 0.00 C ATOM 532 CD1 PHE A 38 -2.062 -1.383 -4.824 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.524 0.939 -4.747 1.00 0.00 C ATOM 534 CE1 PHE A 38 -1.427 -1.574 -3.611 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.888 0.754 -3.534 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.840 -0.503 -2.965 1.00 0.00 C ATOM 0 H PHE A 38 -0.408 -1.576 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.526 -0.209 -8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.152 1.109 -6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.692 -0.558 -6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.520 -2.223 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.559 1.925 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.390 -2.559 -3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.429 1.592 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.344 -0.649 -2.017 1.00 0.00 H new ATOM 546 N TYR A 39 -1.244 2.091 -8.141 1.00 0.00 N ATOM 547 CA TYR A 39 -0.305 3.199 -8.269 1.00 0.00 C ATOM 548 C TYR A 39 -0.431 4.158 -7.089 1.00 0.00 C ATOM 549 O TYR A 39 -1.493 4.268 -6.476 1.00 0.00 O ATOM 550 CB TYR A 39 -0.545 3.950 -9.580 1.00 0.00 C ATOM 551 CG TYR A 39 -0.231 3.132 -10.812 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.057 2.671 -11.055 1.00 0.00 C ATOM 553 CD2 TYR A 39 -1.223 2.820 -11.734 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.348 1.924 -12.180 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.941 2.073 -12.861 1.00 0.00 C ATOM 556 CZ TYR A 39 0.346 1.628 -13.080 1.00 0.00 C ATOM 557 OH TYR A 39 0.632 0.883 -14.201 1.00 0.00 O ATOM 0 H TYR A 39 -2.225 2.370 -8.122 1.00 0.00 H new ATOM 0 HA TYR A 39 0.705 2.788 -8.274 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.587 4.268 -9.621 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.065 4.853 -9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.844 2.901 -10.352 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.232 3.168 -11.566 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.355 1.574 -12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.724 1.839 -13.567 1.00 0.00 H new ATOM 0 HH TYR A 39 1.505 0.450 -14.092 1.00 0.00 H new ATOM 567 N ILE A 40 0.660 4.850 -6.779 1.00 0.00 N ATOM 568 CA ILE A 40 0.672 5.802 -5.675 1.00 0.00 C ATOM 569 C ILE A 40 1.234 7.149 -6.117 1.00 0.00 C ATOM 570 O ILE A 40 2.444 7.304 -6.279 1.00 0.00 O ATOM 571 CB ILE A 40 1.500 5.276 -4.488 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.922 3.954 -3.980 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.539 6.309 -3.371 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.813 3.249 -2.982 1.00 0.00 C ATOM 0 H ILE A 40 1.547 4.769 -7.276 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.363 5.930 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 40 2.521 5.097 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.047 4.144 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.747 3.293 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.128 5.923 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.993 7.228 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.524 6.517 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.340 2.319 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.774 3.027 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.968 3.891 -2.115 1.00 0.00 H new ATOM 586 N GLN A 41 0.347 8.120 -6.307 1.00 0.00 N ATOM 587 CA GLN A 41 0.756 9.455 -6.728 1.00 0.00 C ATOM 588 C GLN A 41 0.740 10.426 -5.552 1.00 0.00 C ATOM 589 O GLN A 41 -0.076 10.298 -4.640 1.00 0.00 O ATOM 590 CB GLN A 41 -0.163 9.966 -7.839 1.00 0.00 C ATOM 591 CG GLN A 41 0.000 11.449 -8.130 1.00 0.00 C ATOM 592 CD GLN A 41 1.239 11.750 -8.950 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.784 10.870 -9.618 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.692 12.997 -8.904 1.00 0.00 N ATOM 0 H GLN A 41 -0.658 8.008 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 41 1.775 9.392 -7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.034 9.402 -8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.199 9.771 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.880 11.810 -8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.050 11.997 -7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.209 13.694 -8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.523 13.258 -9.435 1.00 0.00 H new ATOM 603 N ALA A 42 1.648 11.396 -5.580 1.00 0.00 N ATOM 604 CA ALA A 42 1.737 12.390 -4.517 1.00 0.00 C ATOM 605 C ALA A 42 0.999 13.669 -4.897 1.00 0.00 C ATOM 606 O ALA A 42 1.075 14.126 -6.038 1.00 0.00 O ATOM 607 CB ALA A 42 3.194 12.693 -4.199 1.00 0.00 C ATOM 0 H ALA A 42 2.332 11.515 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 42 1.260 11.978 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.246 13.437 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.693 11.780 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.688 13.080 -5.090 1.00 0.00 H new ATOM 613 N VAL A 43 0.283 14.242 -3.935 1.00 0.00 N ATOM 614 CA VAL A 43 -0.469 15.469 -4.169 1.00 0.00 C ATOM 615 C VAL A 43 -0.224 16.484 -3.058 1.00 0.00 C ATOM 616 O VAL A 43 -0.345 16.166 -1.875 1.00 0.00 O ATOM 617 CB VAL A 43 -1.980 15.190 -4.271 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.748 16.483 -4.497 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.264 14.190 -5.382 1.00 0.00 C ATOM 0 H VAL A 43 0.208 13.876 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.118 15.880 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.316 14.756 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.814 16.266 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.570 17.162 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.412 16.949 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.337 14.005 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.914 14.593 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.745 13.255 -5.171 1.00 0.00 H new ATOM 629 N ASP A 44 0.120 17.707 -3.447 1.00 0.00 N ATOM 630 CA ASP A 44 0.381 18.770 -2.485 1.00 0.00 C ATOM 631 C ASP A 44 -0.911 19.224 -1.813 1.00 0.00 C ATOM 632 O ASP A 44 -1.976 18.646 -2.035 1.00 0.00 O ATOM 633 CB ASP A 44 1.056 19.957 -3.174 1.00 0.00 C ATOM 634 CG ASP A 44 0.311 20.405 -4.416 1.00 0.00 C ATOM 635 OD1 ASP A 44 -0.847 19.976 -4.600 1.00 0.00 O ATOM 636 OD2 ASP A 44 0.886 21.184 -5.205 1.00 0.00 O ATOM 0 H ASP A 44 0.224 17.986 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 44 1.049 18.377 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.123 20.790 -2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.076 19.685 -3.444 1.00 0.00 H new ATOM 641 N THR A 45 -0.811 20.262 -0.988 1.00 0.00 N ATOM 642 CA THR A 45 -1.971 20.791 -0.282 1.00 0.00 C ATOM 643 C THR A 45 -2.866 21.593 -1.219 1.00 0.00 C ATOM 644 O THR A 45 -3.847 22.199 -0.788 1.00 0.00 O ATOM 645 CB THR A 45 -1.549 21.687 0.898 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.059 22.941 0.411 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.475 21.009 1.736 1.00 0.00 C ATOM 0 H THR A 45 0.062 20.753 -0.793 1.00 0.00 H new ATOM 0 HA THR A 45 -2.526 19.935 0.101 1.00 0.00 H new ATOM 0 HB THR A 45 -2.424 21.858 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.379 23.664 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.193 21.661 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.861 20.069 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.399 20.811 1.116 1.00 0.00 H new ATOM 655 N SER A 46 -2.523 21.592 -2.503 1.00 0.00 N ATOM 656 CA SER A 46 -3.295 22.323 -3.501 1.00 0.00 C ATOM 657 C SER A 46 -4.134 21.368 -4.345 1.00 0.00 C ATOM 658 O SER A 46 -5.138 21.763 -4.936 1.00 0.00 O ATOM 659 CB SER A 46 -2.363 23.134 -4.404 1.00 0.00 C ATOM 660 OG SER A 46 -3.099 24.003 -5.247 1.00 0.00 O ATOM 0 H SER A 46 -1.716 21.093 -2.877 1.00 0.00 H new ATOM 0 HA SER A 46 -3.966 23.004 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.673 23.714 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.760 22.458 -5.011 1.00 0.00 H new ATOM 0 HG SER A 46 -2.481 24.511 -5.813 1.00 0.00 H new ATOM 666 N GLY A 47 -3.714 20.107 -4.395 1.00 0.00 N ATOM 667 CA GLY A 47 -4.437 19.115 -5.168 1.00 0.00 C ATOM 668 C GLY A 47 -3.815 18.874 -6.529 1.00 0.00 C ATOM 669 O GLY A 47 -4.489 18.429 -7.457 1.00 0.00 O ATOM 0 H GLY A 47 -2.886 19.755 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.465 18.177 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.469 19.441 -5.296 1.00 0.00 H new ATOM 673 N ASN A 48 -2.525 19.172 -6.650 1.00 0.00 N ATOM 674 CA ASN A 48 -1.813 18.987 -7.909 1.00 0.00 C ATOM 675 C ASN A 48 -0.839 17.816 -7.817 1.00 0.00 C ATOM 676 O ASN A 48 -0.432 17.417 -6.725 1.00 0.00 O ATOM 677 CB ASN A 48 -1.058 20.264 -8.283 1.00 0.00 C ATOM 678 CG ASN A 48 -1.979 21.346 -8.813 1.00 0.00 C ATOM 679 OD1 ASN A 48 -2.945 21.752 -7.996 1.00 0.00 O flip ATOM 680 ND2 ASN A 48 -1.824 21.812 -9.942 1.00 0.00 N flip ATOM 0 H ASN A 48 -1.952 19.542 -5.892 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.547 18.766 -8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.528 20.639 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.305 20.030 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.068 21.470 -10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.451 22.540 -10.284 1.00 0.00 H new ATOM 687 N LYS A 49 -0.468 17.270 -8.970 1.00 0.00 N ATOM 688 CA LYS A 49 0.459 16.146 -9.021 1.00 0.00 C ATOM 689 C LYS A 49 1.905 16.630 -8.968 1.00 0.00 C ATOM 690 O LYS A 49 2.315 17.479 -9.760 1.00 0.00 O ATOM 691 CB LYS A 49 0.231 15.328 -10.294 1.00 0.00 C ATOM 692 CG LYS A 49 -1.046 14.507 -10.269 1.00 0.00 C ATOM 693 CD LYS A 49 -1.506 14.147 -11.672 1.00 0.00 C ATOM 694 CE LYS A 49 -0.705 12.986 -12.240 1.00 0.00 C ATOM 695 NZ LYS A 49 -1.135 11.681 -11.665 1.00 0.00 N ATOM 0 H LYS A 49 -0.795 17.588 -9.882 1.00 0.00 H new ATOM 0 HA LYS A 49 0.273 15.515 -8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.202 16.003 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.079 14.660 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.882 13.596 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.830 15.068 -9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.564 13.886 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.403 15.015 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.820 12.961 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.354 13.141 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.303 11.075 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.611 11.843 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.793 11.213 -12.321 1.00 0.00 H new ATOM 709 N PHE A 50 2.672 16.085 -8.030 1.00 0.00 N ATOM 710 CA PHE A 50 4.072 16.461 -7.874 1.00 0.00 C ATOM 711 C PHE A 50 4.871 16.117 -9.128 1.00 0.00 C ATOM 712 O PHE A 50 5.715 16.895 -9.574 1.00 0.00 O ATOM 713 CB PHE A 50 4.680 15.756 -6.659 1.00 0.00 C ATOM 714 CG PHE A 50 4.567 16.549 -5.388 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.363 16.620 -4.705 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.664 17.223 -4.876 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.256 17.348 -3.535 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.562 17.952 -3.706 1.00 0.00 C ATOM 719 CZ PHE A 50 4.357 18.015 -3.036 1.00 0.00 C ATOM 0 H PHE A 50 2.348 15.382 -7.366 1.00 0.00 H new ATOM 0 HA PHE A 50 4.117 17.539 -7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.187 14.794 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.732 15.550 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.499 16.101 -5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.609 17.178 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.312 17.395 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.425 18.472 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.275 18.585 -2.123 1.00 0.00 H new ATOM 729 N THR A 51 4.600 14.943 -9.691 1.00 0.00 N ATOM 730 CA THR A 51 5.293 14.494 -10.892 1.00 0.00 C ATOM 731 C THR A 51 6.804 14.625 -10.736 1.00 0.00 C ATOM 732 O THR A 51 7.530 14.749 -11.722 1.00 0.00 O ATOM 733 CB THR A 51 4.845 15.291 -12.131 1.00 0.00 C ATOM 734 OG1 THR A 51 5.134 16.682 -11.950 1.00 0.00 O ATOM 735 CG2 THR A 51 3.356 15.106 -12.384 1.00 0.00 C ATOM 0 H THR A 51 3.906 14.287 -9.334 1.00 0.00 H new ATOM 0 HA THR A 51 5.034 13.444 -11.032 1.00 0.00 H new ATOM 0 HB THR A 51 5.394 14.916 -12.995 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.808 16.787 -11.246 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.063 15.678 -13.264 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.144 14.050 -12.551 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.794 15.457 -11.519 1.00 0.00 H new ATOM 743 N SER A 52 7.271 14.596 -9.492 1.00 0.00 N ATOM 744 CA SER A 52 8.696 14.715 -9.207 1.00 0.00 C ATOM 745 C SER A 52 9.155 13.611 -8.260 1.00 0.00 C ATOM 746 O SER A 52 8.340 12.859 -7.725 1.00 0.00 O ATOM 747 CB SER A 52 9.003 16.085 -8.598 1.00 0.00 C ATOM 748 OG SER A 52 10.384 16.388 -8.696 1.00 0.00 O ATOM 0 H SER A 52 6.683 14.491 -8.665 1.00 0.00 H new ATOM 0 HA SER A 52 9.239 14.613 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.422 16.852 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.698 16.098 -7.552 1.00 0.00 H new ATOM 0 HG SER A 52 10.554 17.269 -8.302 1.00 0.00 H new ATOM 754 N SER A 53 10.465 13.519 -8.059 1.00 0.00 N ATOM 755 CA SER A 53 11.035 12.504 -7.180 1.00 0.00 C ATOM 756 C SER A 53 11.178 13.036 -5.757 1.00 0.00 C ATOM 757 O SER A 53 11.984 13.923 -5.477 1.00 0.00 O ATOM 758 CB SER A 53 12.398 12.050 -7.706 1.00 0.00 C ATOM 759 OG SER A 53 13.056 11.219 -6.766 1.00 0.00 O ATOM 0 H SER A 53 11.152 14.135 -8.493 1.00 0.00 H new ATOM 0 HA SER A 53 10.357 11.651 -7.164 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.268 11.511 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.017 12.921 -7.922 1.00 0.00 H new ATOM 0 HG SER A 53 13.924 10.941 -7.126 1.00 0.00 H new ATOM 765 N PRO A 54 10.376 12.481 -4.836 1.00 0.00 N ATOM 766 CA PRO A 54 10.393 12.883 -3.426 1.00 0.00 C ATOM 767 C PRO A 54 11.672 12.451 -2.716 1.00 0.00 C ATOM 768 O PRO A 54 12.323 13.252 -2.047 1.00 0.00 O ATOM 769 CB PRO A 54 9.182 12.158 -2.836 1.00 0.00 C ATOM 770 CG PRO A 54 8.977 10.979 -3.723 1.00 0.00 C ATOM 771 CD PRO A 54 9.391 11.419 -5.100 1.00 0.00 C ATOM 0 HA PRO A 54 10.356 13.966 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.367 11.851 -1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.303 12.802 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.574 10.131 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.935 10.659 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.827 10.599 -5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.543 11.791 -5.675 1.00 0.00 H new ATOM 779 N GLY A 55 12.026 11.178 -2.867 1.00 0.00 N ATOM 780 CA GLY A 55 13.225 10.661 -2.235 1.00 0.00 C ATOM 781 C GLY A 55 13.442 9.188 -2.518 1.00 0.00 C ATOM 782 O GLY A 55 13.393 8.758 -3.670 1.00 0.00 O ATOM 0 H GLY A 55 11.503 10.496 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.089 11.226 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.159 10.815 -1.158 1.00 0.00 H new ATOM 786 N GLU A 56 13.683 8.414 -1.465 1.00 0.00 N ATOM 787 CA GLU A 56 13.910 6.980 -1.607 1.00 0.00 C ATOM 788 C GLU A 56 12.735 6.185 -1.047 1.00 0.00 C ATOM 789 O GLU A 56 11.994 5.541 -1.791 1.00 0.00 O ATOM 790 CB GLU A 56 15.202 6.573 -0.895 1.00 0.00 C ATOM 791 CG GLU A 56 15.891 5.373 -1.523 1.00 0.00 C ATOM 792 CD GLU A 56 16.349 5.641 -2.944 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.444 6.216 -3.116 1.00 0.00 O ATOM 794 OE2 GLU A 56 15.612 5.275 -3.883 1.00 0.00 O ATOM 0 H GLU A 56 13.726 8.755 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 56 14.003 6.756 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.890 7.419 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.977 6.348 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.751 5.093 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.208 4.524 -1.519 1.00 0.00 H new ATOM 801 N LYS A 57 12.570 6.233 0.271 1.00 0.00 N ATOM 802 CA LYS A 57 11.486 5.518 0.933 1.00 0.00 C ATOM 803 C LYS A 57 10.554 6.488 1.653 1.00 0.00 C ATOM 804 O LYS A 57 10.728 6.766 2.840 1.00 0.00 O ATOM 805 CB LYS A 57 12.050 4.503 1.930 1.00 0.00 C ATOM 806 CG LYS A 57 12.889 3.416 1.281 1.00 0.00 C ATOM 807 CD LYS A 57 12.020 2.320 0.687 1.00 0.00 C ATOM 808 CE LYS A 57 12.703 1.642 -0.490 1.00 0.00 C ATOM 809 NZ LYS A 57 12.488 2.388 -1.761 1.00 0.00 N ATOM 0 H LYS A 57 13.174 6.760 0.902 1.00 0.00 H new ATOM 0 HA LYS A 57 10.914 4.990 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.658 5.029 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.225 4.040 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.510 3.853 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.564 2.986 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.793 1.579 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.070 2.744 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.772 1.562 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.321 0.627 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.332 2.300 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.665 1.994 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.316 3.392 -1.550 1.00 0.00 H new ATOM 823 N VAL A 58 9.565 7.000 0.928 1.00 0.00 N ATOM 824 CA VAL A 58 8.605 7.938 1.498 1.00 0.00 C ATOM 825 C VAL A 58 7.271 7.254 1.780 1.00 0.00 C ATOM 826 O VAL A 58 6.709 7.392 2.867 1.00 0.00 O ATOM 827 CB VAL A 58 8.367 9.137 0.561 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.652 9.927 0.368 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.815 8.666 -0.776 1.00 0.00 C ATOM 0 H VAL A 58 9.407 6.781 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 58 9.031 8.298 2.434 1.00 0.00 H new ATOM 0 HB VAL A 58 7.630 9.795 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.464 10.770 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.001 10.296 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.413 9.282 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.653 9.526 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.527 7.986 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.869 8.148 -0.617 1.00 0.00 H new ATOM 839 N PHE A 59 6.771 6.516 0.795 1.00 0.00 N ATOM 840 CA PHE A 59 5.502 5.811 0.937 1.00 0.00 C ATOM 841 C PHE A 59 5.732 4.326 1.200 1.00 0.00 C ATOM 842 O PHE A 59 6.358 3.633 0.397 1.00 0.00 O ATOM 843 CB PHE A 59 4.650 5.992 -0.321 1.00 0.00 C ATOM 844 CG PHE A 59 4.250 7.417 -0.574 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.803 8.220 0.463 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.319 7.954 -1.850 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.434 9.532 0.234 1.00 0.00 C ATOM 848 CE2 PHE A 59 3.952 9.266 -2.085 1.00 0.00 C ATOM 849 CZ PHE A 59 3.508 10.055 -1.042 1.00 0.00 C ATOM 0 H PHE A 59 7.225 6.390 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 59 4.972 6.235 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.205 5.620 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.752 5.381 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.742 7.816 1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.663 7.341 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.088 10.147 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.012 9.674 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.219 11.080 -1.224 1.00 0.00 H new ATOM 859 N GLN A 60 5.222 3.845 2.329 1.00 0.00 N ATOM 860 CA GLN A 60 5.373 2.443 2.699 1.00 0.00 C ATOM 861 C GLN A 60 4.028 1.725 2.672 1.00 0.00 C ATOM 862 O GLN A 60 3.016 2.263 3.121 1.00 0.00 O ATOM 863 CB GLN A 60 6.000 2.324 4.089 1.00 0.00 C ATOM 864 CG GLN A 60 6.168 0.889 4.560 1.00 0.00 C ATOM 865 CD GLN A 60 7.135 0.765 5.721 1.00 0.00 C ATOM 866 OE1 GLN A 60 6.893 1.296 6.805 1.00 0.00 O ATOM 867 NE2 GLN A 60 8.239 0.061 5.500 1.00 0.00 N ATOM 0 H GLN A 60 4.701 4.405 3.003 1.00 0.00 H new ATOM 0 HA GLN A 60 6.031 1.971 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.975 2.812 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.380 2.862 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.197 0.492 4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.522 0.277 3.730 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.400 -0.362 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.926 -0.057 6.244 1.00 0.00 H new ATOM 876 N VAL A 61 4.024 0.506 2.142 1.00 0.00 N ATOM 877 CA VAL A 61 2.803 -0.287 2.057 1.00 0.00 C ATOM 878 C VAL A 61 2.904 -1.545 2.912 1.00 0.00 C ATOM 879 O VAL A 61 3.997 -2.055 3.159 1.00 0.00 O ATOM 880 CB VAL A 61 2.495 -0.690 0.603 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.317 -1.650 0.553 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.225 0.543 -0.246 1.00 0.00 C ATOM 0 H VAL A 61 4.853 0.046 1.765 1.00 0.00 H new ATOM 0 HA VAL A 61 1.993 0.339 2.431 1.00 0.00 H new ATOM 0 HB VAL A 61 3.367 -1.201 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.114 -1.924 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.554 -2.547 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.437 -1.169 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.009 0.239 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.370 1.084 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.102 1.190 -0.237 1.00 0.00 H new ATOM 892 N LYS A 62 1.756 -2.043 3.361 1.00 0.00 N ATOM 893 CA LYS A 62 1.714 -3.243 4.187 1.00 0.00 C ATOM 894 C LYS A 62 0.489 -4.090 3.853 1.00 0.00 C ATOM 895 O LYS A 62 -0.579 -3.561 3.548 1.00 0.00 O ATOM 896 CB LYS A 62 1.697 -2.867 5.670 1.00 0.00 C ATOM 897 CG LYS A 62 1.592 -4.063 6.600 1.00 0.00 C ATOM 898 CD LYS A 62 2.963 -4.586 6.994 1.00 0.00 C ATOM 899 CE LYS A 62 3.438 -5.675 6.044 1.00 0.00 C ATOM 900 NZ LYS A 62 2.553 -6.873 6.087 1.00 0.00 N ATOM 0 H LYS A 62 0.842 -1.633 3.166 1.00 0.00 H new ATOM 0 HA LYS A 62 2.609 -3.829 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.605 -2.313 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.857 -2.197 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.038 -3.781 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.026 -4.856 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.680 -3.765 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.926 -4.979 8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.469 -5.282 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.456 -5.966 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.052 -7.657 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.689 -6.647 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.300 -7.152 5.118 1.00 0.00 H new ATOM 914 N VAL A 63 0.652 -5.408 3.914 1.00 0.00 N ATOM 915 CA VAL A 63 -0.441 -6.328 3.621 1.00 0.00 C ATOM 916 C VAL A 63 -0.603 -7.359 4.732 1.00 0.00 C ATOM 917 O VAL A 63 0.336 -8.083 5.063 1.00 0.00 O ATOM 918 CB VAL A 63 -0.215 -7.059 2.285 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.375 -7.997 1.987 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.025 -6.058 1.155 1.00 0.00 C ATOM 0 H VAL A 63 1.530 -5.863 4.164 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.349 -5.730 3.550 1.00 0.00 H new ATOM 0 HB VAL A 63 0.693 -7.656 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.198 -8.505 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.460 -8.736 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.300 -7.423 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.133 -6.592 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.913 -5.432 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.841 -5.431 1.366 1.00 0.00 H new ATOM 930 N SER A 64 -1.802 -7.422 5.303 1.00 0.00 N ATOM 931 CA SER A 64 -2.087 -8.363 6.379 1.00 0.00 C ATOM 932 C SER A 64 -3.520 -8.879 6.284 1.00 0.00 C ATOM 933 O SER A 64 -4.429 -8.151 5.886 1.00 0.00 O ATOM 934 CB SER A 64 -1.862 -7.699 7.739 1.00 0.00 C ATOM 935 OG SER A 64 -2.292 -8.541 8.795 1.00 0.00 O ATOM 0 H SER A 64 -2.591 -6.832 5.038 1.00 0.00 H new ATOM 0 HA SER A 64 -1.407 -9.209 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.804 -7.466 7.863 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.403 -6.754 7.780 1.00 0.00 H new ATOM 0 HG SER A 64 -2.136 -8.095 9.653 1.00 0.00 H new ATOM 941 N ALA A 65 -3.713 -10.142 6.651 1.00 0.00 N ATOM 942 CA ALA A 65 -5.034 -10.756 6.609 1.00 0.00 C ATOM 943 C ALA A 65 -5.704 -10.711 7.978 1.00 0.00 C ATOM 944 O ALA A 65 -5.068 -10.903 9.014 1.00 0.00 O ATOM 945 CB ALA A 65 -4.933 -12.192 6.116 1.00 0.00 C ATOM 0 H ALA A 65 -2.971 -10.759 6.981 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.650 -10.187 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.927 -12.638 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.503 -12.203 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.296 -12.764 6.790 1.00 0.00 H new ATOM 951 N PRO A 66 -7.020 -10.451 7.985 1.00 0.00 N ATOM 952 CA PRO A 66 -7.805 -10.374 9.221 1.00 0.00 C ATOM 953 C PRO A 66 -7.971 -11.736 9.888 1.00 0.00 C ATOM 954 O PRO A 66 -8.105 -11.827 11.107 1.00 0.00 O ATOM 955 CB PRO A 66 -9.160 -9.842 8.748 1.00 0.00 C ATOM 956 CG PRO A 66 -9.250 -10.251 7.318 1.00 0.00 C ATOM 957 CD PRO A 66 -7.843 -10.212 6.788 1.00 0.00 C ATOM 0 HA PRO A 66 -7.324 -9.747 9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.977 -10.265 9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.219 -8.759 8.854 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.675 -11.250 7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.897 -9.575 6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.679 -10.976 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.613 -9.251 6.328 1.00 0.00 H new ATOM 965 N GLU A 67 -7.961 -12.791 9.079 1.00 0.00 N ATOM 966 CA GLU A 67 -8.110 -14.147 9.593 1.00 0.00 C ATOM 967 C GLU A 67 -6.751 -14.757 9.925 1.00 0.00 C ATOM 968 O GLU A 67 -6.458 -15.049 11.084 1.00 0.00 O ATOM 969 CB GLU A 67 -8.839 -15.025 8.573 1.00 0.00 C ATOM 970 CG GLU A 67 -9.015 -16.465 9.025 1.00 0.00 C ATOM 971 CD GLU A 67 -9.699 -17.325 7.979 1.00 0.00 C ATOM 972 OE1 GLU A 67 -10.876 -17.052 7.665 1.00 0.00 O ATOM 973 OE2 GLU A 67 -9.057 -18.270 7.476 1.00 0.00 O ATOM 0 H GLU A 67 -7.851 -12.733 8.067 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.700 -14.098 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.820 -14.594 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.285 -15.013 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.039 -16.891 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.599 -16.484 9.945 1.00 0.00 H new ATOM 980 N GLU A 68 -5.927 -14.944 8.899 1.00 0.00 N ATOM 981 CA GLU A 68 -4.599 -15.520 9.083 1.00 0.00 C ATOM 982 C GLU A 68 -3.754 -14.654 10.012 1.00 0.00 C ATOM 983 O GLU A 68 -3.251 -13.605 9.611 1.00 0.00 O ATOM 984 CB GLU A 68 -3.896 -15.676 7.733 1.00 0.00 C ATOM 985 CG GLU A 68 -4.434 -16.823 6.895 1.00 0.00 C ATOM 986 CD GLU A 68 -3.760 -18.144 7.211 1.00 0.00 C ATOM 987 OE1 GLU A 68 -2.595 -18.121 7.663 1.00 0.00 O ATOM 988 OE2 GLU A 68 -4.395 -19.199 7.008 1.00 0.00 O ATOM 0 H GLU A 68 -6.154 -14.706 7.934 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.717 -16.503 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.998 -14.748 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.831 -15.830 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.507 -16.918 7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.295 -16.592 5.839 1.00 0.00 H new ATOM 995 N GLN A 69 -3.604 -15.101 11.255 1.00 0.00 N ATOM 996 CA GLN A 69 -2.822 -14.366 12.241 1.00 0.00 C ATOM 997 C GLN A 69 -1.520 -13.855 11.633 1.00 0.00 C ATOM 998 O GLN A 69 -1.142 -12.700 11.830 1.00 0.00 O ATOM 999 CB GLN A 69 -2.520 -15.255 13.449 1.00 0.00 C ATOM 1000 CG GLN A 69 -1.664 -14.576 14.506 1.00 0.00 C ATOM 1001 CD GLN A 69 -2.483 -13.744 15.473 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -2.506 -12.516 15.389 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -3.161 -14.410 16.400 1.00 0.00 N ATOM 0 H GLN A 69 -4.014 -15.968 11.602 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.410 -13.508 12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.460 -15.570 13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.013 -16.157 13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.111 -15.333 15.062 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.928 -13.938 14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.114 -15.428 16.433 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.729 -13.903 17.079 1.00 0.00 H new ATOM 1012 N PHE A 70 -0.838 -14.723 10.893 1.00 0.00 N ATOM 1013 CA PHE A 70 0.423 -14.360 10.257 1.00 0.00 C ATOM 1014 C PHE A 70 0.306 -14.433 8.737 1.00 0.00 C ATOM 1015 O PHE A 70 -0.433 -15.257 8.198 1.00 0.00 O ATOM 1016 CB PHE A 70 1.546 -15.282 10.738 1.00 0.00 C ATOM 1017 CG PHE A 70 1.983 -15.009 12.148 1.00 0.00 C ATOM 1018 CD1 PHE A 70 2.684 -13.855 12.459 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.694 -15.906 13.163 1.00 0.00 C ATOM 1020 CE1 PHE A 70 3.088 -13.600 13.756 1.00 0.00 C ATOM 1021 CE2 PHE A 70 2.095 -15.657 14.462 1.00 0.00 C ATOM 1022 CZ PHE A 70 2.793 -14.503 14.759 1.00 0.00 C ATOM 0 H PHE A 70 -1.137 -15.682 10.719 1.00 0.00 H new ATOM 0 HA PHE A 70 0.660 -13.334 10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.212 -16.317 10.663 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.403 -15.175 10.073 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.918 -13.146 11.678 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.149 -16.811 12.937 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.633 -12.696 13.985 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.863 -16.364 15.244 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.108 -14.307 15.773 1.00 0.00 H new ATOM 1032 N THR A 71 1.040 -13.563 8.051 1.00 0.00 N ATOM 1033 CA THR A 71 1.019 -13.526 6.594 1.00 0.00 C ATOM 1034 C THR A 71 2.427 -13.394 6.026 1.00 0.00 C ATOM 1035 O THR A 71 3.128 -12.420 6.301 1.00 0.00 O ATOM 1036 CB THR A 71 0.156 -12.361 6.074 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.204 -12.537 6.485 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.225 -12.270 4.557 1.00 0.00 C ATOM 0 H THR A 71 1.657 -12.874 8.481 1.00 0.00 H new ATOM 0 HA THR A 71 0.583 -14.468 6.261 1.00 0.00 H new ATOM 0 HB THR A 71 0.545 -11.434 6.495 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.791 -12.000 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.392 -11.440 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.258 -12.106 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.141 -13.199 4.120 1.00 0.00 H new ATOM 1046 N ARG A 72 2.835 -14.378 5.232 1.00 0.00 N ATOM 1047 CA ARG A 72 4.161 -14.371 4.625 1.00 0.00 C ATOM 1048 C ARG A 72 4.134 -13.677 3.267 1.00 0.00 C ATOM 1049 O ARG A 72 3.948 -14.319 2.233 1.00 0.00 O ATOM 1050 CB ARG A 72 4.681 -15.801 4.469 1.00 0.00 C ATOM 1051 CG ARG A 72 3.839 -16.657 3.536 1.00 0.00 C ATOM 1052 CD ARG A 72 3.917 -18.129 3.909 1.00 0.00 C ATOM 1053 NE ARG A 72 2.788 -18.888 3.378 1.00 0.00 N ATOM 1054 CZ ARG A 72 2.660 -20.204 3.511 1.00 0.00 C ATOM 1055 NH1 ARG A 72 3.586 -20.902 4.152 1.00 0.00 N ATOM 1056 NH2 ARG A 72 1.603 -20.823 3.000 1.00 0.00 N ATOM 0 H ARG A 72 2.266 -15.191 4.994 1.00 0.00 H new ATOM 0 HA ARG A 72 4.831 -13.818 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.704 -15.768 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.717 -16.275 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.801 -16.325 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.180 -16.522 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.848 -18.550 3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.942 -18.227 4.994 1.00 0.00 H new ATOM 0 HE ARG A 72 2.058 -18.380 2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.400 -20.429 4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.485 -21.912 4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.889 -20.289 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.505 -21.833 3.102 1.00 0.00 H new ATOM 1070 N VAL A 73 4.320 -12.360 3.277 1.00 0.00 N ATOM 1071 CA VAL A 73 4.317 -11.579 2.046 1.00 0.00 C ATOM 1072 C VAL A 73 5.493 -10.609 2.009 1.00 0.00 C ATOM 1073 O VAL A 73 5.751 -9.893 2.975 1.00 0.00 O ATOM 1074 CB VAL A 73 3.006 -10.785 1.888 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.162 -9.701 0.832 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.857 -11.719 1.539 1.00 0.00 C ATOM 0 H VAL A 73 4.474 -11.813 4.124 1.00 0.00 H new ATOM 0 HA VAL A 73 4.406 -12.286 1.222 1.00 0.00 H new ATOM 0 HB VAL A 73 2.777 -10.303 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.226 -9.151 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.956 -9.016 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.415 -10.158 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.939 -11.142 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.076 -12.231 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.732 -12.455 2.334 1.00 0.00 H new ATOM 1086 N GLY A 74 6.203 -10.592 0.885 1.00 0.00 N ATOM 1087 CA GLY A 74 7.344 -9.706 0.741 1.00 0.00 C ATOM 1088 C GLY A 74 7.069 -8.556 -0.207 1.00 0.00 C ATOM 1089 O GLY A 74 7.463 -8.594 -1.372 1.00 0.00 O ATOM 0 H GLY A 74 6.009 -11.176 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.618 -9.309 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.199 -10.276 0.377 1.00 0.00 H new ATOM 1093 N VAL A 75 6.389 -7.528 0.293 1.00 0.00 N ATOM 1094 CA VAL A 75 6.061 -6.362 -0.518 1.00 0.00 C ATOM 1095 C VAL A 75 7.310 -5.553 -0.848 1.00 0.00 C ATOM 1096 O VAL A 75 8.253 -5.501 -0.060 1.00 0.00 O ATOM 1097 CB VAL A 75 5.046 -5.449 0.196 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.958 -4.100 -0.500 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.680 -6.117 0.257 1.00 0.00 C ATOM 0 H VAL A 75 6.055 -7.480 1.256 1.00 0.00 H new ATOM 0 HA VAL A 75 5.618 -6.734 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 75 5.390 -5.282 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.236 -3.469 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.936 -3.619 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.639 -4.243 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.975 -5.458 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.327 -6.316 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.758 -7.056 0.805 1.00 0.00 H new ATOM 1109 N GLN A 76 7.308 -4.924 -2.019 1.00 0.00 N ATOM 1110 CA GLN A 76 8.443 -4.117 -2.454 1.00 0.00 C ATOM 1111 C GLN A 76 7.973 -2.892 -3.231 1.00 0.00 C ATOM 1112 O GLN A 76 7.420 -3.011 -4.324 1.00 0.00 O ATOM 1113 CB GLN A 76 9.388 -4.953 -3.318 1.00 0.00 C ATOM 1114 CG GLN A 76 10.715 -4.269 -3.605 1.00 0.00 C ATOM 1115 CD GLN A 76 11.832 -5.255 -3.883 1.00 0.00 C ATOM 1116 OE1 GLN A 76 12.187 -6.065 -3.026 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.393 -5.192 -5.085 1.00 0.00 N ATOM 0 H GLN A 76 6.534 -4.957 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 76 8.978 -3.778 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.579 -5.903 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.895 -5.183 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.599 -3.606 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.989 -3.645 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.067 -4.505 -5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.150 -5.831 -5.329 1.00 0.00 H new ATOM 1126 N VAL A 77 8.197 -1.713 -2.659 1.00 0.00 N ATOM 1127 CA VAL A 77 7.798 -0.465 -3.298 1.00 0.00 C ATOM 1128 C VAL A 77 9.005 0.272 -3.867 1.00 0.00 C ATOM 1129 O VAL A 77 9.908 0.670 -3.130 1.00 0.00 O ATOM 1130 CB VAL A 77 7.064 0.462 -2.310 1.00 0.00 C ATOM 1131 CG1 VAL A 77 8.035 1.023 -1.282 1.00 0.00 C ATOM 1132 CG2 VAL A 77 6.358 1.584 -3.057 1.00 0.00 C ATOM 0 H VAL A 77 8.653 -1.596 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 77 7.120 -0.728 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 77 6.311 -0.122 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.499 1.675 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.490 0.203 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.813 1.593 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.845 2.229 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.091 2.169 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.632 1.159 -3.750 1.00 0.00 H new ATOM 1142 N LEU A 78 9.015 0.450 -5.184 1.00 0.00 N ATOM 1143 CA LEU A 78 10.112 1.140 -5.854 1.00 0.00 C ATOM 1144 C LEU A 78 9.582 2.148 -6.869 1.00 0.00 C ATOM 1145 O LEU A 78 8.425 2.076 -7.284 1.00 0.00 O ATOM 1146 CB LEU A 78 11.026 0.131 -6.550 1.00 0.00 C ATOM 1147 CG LEU A 78 12.189 -0.408 -5.716 1.00 0.00 C ATOM 1148 CD1 LEU A 78 13.039 0.735 -5.184 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.671 -1.268 -4.572 1.00 0.00 C ATOM 0 H LEU A 78 8.276 0.126 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 78 10.685 1.679 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.419 -0.713 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.434 0.598 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 78 12.814 -1.030 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.862 0.332 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.440 1.310 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.426 1.383 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.512 -1.643 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.024 -0.669 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.106 -2.108 -4.975 1.00 0.00 H new ATOM 1161 N ASP A 79 10.436 3.085 -7.266 1.00 0.00 N ATOM 1162 CA ASP A 79 10.055 4.106 -8.235 1.00 0.00 C ATOM 1163 C ASP A 79 10.423 3.674 -9.651 1.00 0.00 C ATOM 1164 O ASP A 79 11.585 3.752 -10.052 1.00 0.00 O ATOM 1165 CB ASP A 79 10.734 5.435 -7.901 1.00 0.00 C ATOM 1166 CG ASP A 79 12.211 5.433 -8.242 1.00 0.00 C ATOM 1167 OD1 ASP A 79 12.957 4.634 -7.640 1.00 0.00 O ATOM 1168 OD2 ASP A 79 12.621 6.231 -9.111 1.00 0.00 O ATOM 0 H ASP A 79 11.397 3.159 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 79 8.974 4.237 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.240 6.239 -8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.610 5.646 -6.839 1.00 0.00 H new ATOM 1173 N ARG A 80 9.427 3.219 -10.404 1.00 0.00 N ATOM 1174 CA ARG A 80 9.646 2.773 -11.774 1.00 0.00 C ATOM 1175 C ARG A 80 9.301 3.879 -12.767 1.00 0.00 C ATOM 1176 O ARG A 80 9.881 3.960 -13.850 1.00 0.00 O ATOM 1177 CB ARG A 80 8.807 1.529 -12.069 1.00 0.00 C ATOM 1178 CG ARG A 80 7.328 1.823 -12.261 1.00 0.00 C ATOM 1179 CD ARG A 80 6.672 0.802 -13.178 1.00 0.00 C ATOM 1180 NE ARG A 80 6.918 -0.568 -12.737 1.00 0.00 N ATOM 1181 CZ ARG A 80 6.336 -1.631 -13.281 1.00 0.00 C ATOM 1182 NH1 ARG A 80 5.481 -1.482 -14.283 1.00 0.00 N ATOM 1183 NH2 ARG A 80 6.611 -2.846 -12.824 1.00 0.00 N ATOM 0 H ARG A 80 8.460 3.150 -10.088 1.00 0.00 H new ATOM 0 HA ARG A 80 10.702 2.525 -11.884 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.192 1.046 -12.967 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.924 0.819 -11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.827 1.820 -11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.206 2.822 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.598 0.984 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.050 0.930 -14.192 1.00 0.00 H new ATOM 0 HE ARG A 80 7.573 -0.717 -11.969 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.269 -0.550 -14.638 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.035 -2.300 -14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.270 -2.964 -12.054 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.164 -3.662 -13.242 1.00 0.00 H new ATOM 1197 N LYS A 81 8.352 4.730 -12.392 1.00 0.00 N ATOM 1198 CA LYS A 81 7.929 5.832 -13.248 1.00 0.00 C ATOM 1199 C LYS A 81 8.737 7.091 -12.952 1.00 0.00 C ATOM 1200 O LYS A 81 9.675 7.066 -12.156 1.00 0.00 O ATOM 1201 CB LYS A 81 6.437 6.112 -13.053 1.00 0.00 C ATOM 1202 CG LYS A 81 5.541 5.313 -13.983 1.00 0.00 C ATOM 1203 CD LYS A 81 5.509 5.914 -15.378 1.00 0.00 C ATOM 1204 CE LYS A 81 4.474 5.228 -16.257 1.00 0.00 C ATOM 1205 NZ LYS A 81 4.879 3.839 -16.609 1.00 0.00 N ATOM 0 H LYS A 81 7.861 4.677 -11.500 1.00 0.00 H new ATOM 0 HA LYS A 81 8.106 5.544 -14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.166 5.889 -12.021 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.252 7.175 -13.209 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.896 4.284 -14.037 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.530 5.280 -13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.284 6.978 -15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.494 5.825 -15.836 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.515 5.207 -15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.331 5.807 -17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.148 3.406 -17.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.782 3.861 -17.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.991 3.279 -15.740 1.00 0.00 H new ATOM 1219 N ASP A 82 8.365 8.192 -13.597 1.00 0.00 N ATOM 1220 CA ASP A 82 9.054 9.462 -13.401 1.00 0.00 C ATOM 1221 C ASP A 82 8.253 10.378 -12.481 1.00 0.00 C ATOM 1222 O ASP A 82 7.894 11.493 -12.858 1.00 0.00 O ATOM 1223 CB ASP A 82 9.292 10.151 -14.746 1.00 0.00 C ATOM 1224 CG ASP A 82 9.841 9.202 -15.793 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.812 8.479 -15.487 1.00 0.00 O ATOM 1226 OD2 ASP A 82 9.301 9.183 -16.919 1.00 0.00 O ATOM 0 H ASP A 82 7.590 8.230 -14.260 1.00 0.00 H new ATOM 0 HA ASP A 82 10.016 9.256 -12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.355 10.578 -15.103 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.988 10.978 -14.609 1.00 0.00 H new ATOM 1231 N GLY A 83 7.976 9.899 -11.272 1.00 0.00 N ATOM 1232 CA GLY A 83 7.218 10.687 -10.318 1.00 0.00 C ATOM 1233 C GLY A 83 6.163 9.870 -9.600 1.00 0.00 C ATOM 1234 O GLY A 83 5.376 10.408 -8.820 1.00 0.00 O ATOM 0 H GLY A 83 8.263 8.980 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.900 11.119 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.739 11.518 -10.837 1.00 0.00 H new ATOM 1238 N SER A 84 6.144 8.567 -9.863 1.00 0.00 N ATOM 1239 CA SER A 84 5.174 7.675 -9.240 1.00 0.00 C ATOM 1240 C SER A 84 5.842 6.384 -8.776 1.00 0.00 C ATOM 1241 O SER A 84 6.762 5.881 -9.421 1.00 0.00 O ATOM 1242 CB SER A 84 4.042 7.354 -10.219 1.00 0.00 C ATOM 1243 OG SER A 84 3.103 8.413 -10.277 1.00 0.00 O ATOM 0 H SER A 84 6.790 8.106 -10.504 1.00 0.00 H new ATOM 0 HA SER A 84 4.759 8.182 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.455 7.175 -11.212 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.541 6.436 -9.912 1.00 0.00 H new ATOM 0 HG SER A 84 3.328 9.087 -9.602 1.00 0.00 H new ATOM 1249 N PHE A 85 5.372 5.853 -7.652 1.00 0.00 N ATOM 1250 CA PHE A 85 5.923 4.621 -7.100 1.00 0.00 C ATOM 1251 C PHE A 85 5.028 3.430 -7.427 1.00 0.00 C ATOM 1252 O PHE A 85 3.802 3.537 -7.406 1.00 0.00 O ATOM 1253 CB PHE A 85 6.090 4.747 -5.584 1.00 0.00 C ATOM 1254 CG PHE A 85 7.304 5.532 -5.177 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.612 6.730 -5.801 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.138 5.071 -4.171 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.729 7.453 -5.429 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.257 5.790 -3.795 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.552 6.984 -4.424 1.00 0.00 C ATOM 0 H PHE A 85 4.611 6.257 -7.106 1.00 0.00 H new ATOM 0 HA PHE A 85 6.900 4.454 -7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.203 5.224 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.150 3.749 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.972 7.103 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.911 4.139 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.959 8.385 -5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.900 5.419 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.424 7.549 -4.131 1.00 0.00 H new ATOM 1269 N ILE A 86 5.651 2.296 -7.730 1.00 0.00 N ATOM 1270 CA ILE A 86 4.911 1.084 -8.061 1.00 0.00 C ATOM 1271 C ILE A 86 5.083 0.022 -6.980 1.00 0.00 C ATOM 1272 O ILE A 86 6.189 -0.209 -6.492 1.00 0.00 O ATOM 1273 CB ILE A 86 5.363 0.501 -9.414 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.466 -0.673 -9.813 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.818 0.063 -9.342 1.00 0.00 C ATOM 1276 CD1 ILE A 86 3.253 -0.260 -10.618 1.00 0.00 C ATOM 0 H ILE A 86 6.665 2.191 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 86 3.860 1.364 -8.128 1.00 0.00 H new ATOM 0 HB ILE A 86 5.275 1.276 -10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.051 -1.386 -10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.135 -1.190 -8.912 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.123 -0.347 -10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.445 0.921 -9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.931 -0.700 -8.571 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.663 -1.142 -10.866 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.645 0.430 -10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.576 0.230 -11.536 1.00 0.00 H new ATOM 1288 N VAL A 87 3.980 -0.623 -6.612 1.00 0.00 N ATOM 1289 CA VAL A 87 4.008 -1.663 -5.590 1.00 0.00 C ATOM 1290 C VAL A 87 3.977 -3.051 -6.219 1.00 0.00 C ATOM 1291 O VAL A 87 3.234 -3.297 -7.170 1.00 0.00 O ATOM 1292 CB VAL A 87 2.823 -1.525 -4.617 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.890 -2.597 -3.539 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.801 -0.136 -3.997 1.00 0.00 C ATOM 0 H VAL A 87 3.057 -0.444 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 87 4.939 -1.539 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 87 1.898 -1.663 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.045 -2.484 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.853 -3.583 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.820 -2.493 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.957 -0.057 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.729 0.033 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.702 0.612 -4.784 1.00 0.00 H new ATOM 1304 N ARG A 88 4.788 -3.957 -5.681 1.00 0.00 N ATOM 1305 CA ARG A 88 4.854 -5.321 -6.190 1.00 0.00 C ATOM 1306 C ARG A 88 4.978 -6.323 -5.046 1.00 0.00 C ATOM 1307 O ARG A 88 5.866 -6.208 -4.200 1.00 0.00 O ATOM 1308 CB ARG A 88 6.037 -5.475 -7.148 1.00 0.00 C ATOM 1309 CG ARG A 88 7.235 -4.615 -6.778 1.00 0.00 C ATOM 1310 CD ARG A 88 8.288 -4.626 -7.875 1.00 0.00 C ATOM 1311 NE ARG A 88 8.075 -3.559 -8.849 1.00 0.00 N ATOM 1312 CZ ARG A 88 9.040 -3.053 -9.608 1.00 0.00 C ATOM 1313 NH1 ARG A 88 10.279 -3.515 -9.506 1.00 0.00 N ATOM 1314 NH2 ARG A 88 8.767 -2.083 -10.471 1.00 0.00 N ATOM 0 H ARG A 88 5.408 -3.770 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 88 3.930 -5.525 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.343 -6.521 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.713 -5.218 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.907 -3.591 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.672 -4.979 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.277 -4.518 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.271 -5.590 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 88 7.133 -3.182 -8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.492 -4.261 -8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.019 -3.125 -10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.815 -1.725 -10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.509 -1.695 -11.054 1.00 0.00 H new ATOM 1328 N TYR A 89 4.083 -7.304 -5.025 1.00 0.00 N ATOM 1329 CA TYR A 89 4.090 -8.324 -3.983 1.00 0.00 C ATOM 1330 C TYR A 89 3.381 -9.589 -4.455 1.00 0.00 C ATOM 1331 O TYR A 89 2.402 -9.525 -5.199 1.00 0.00 O ATOM 1332 CB TYR A 89 3.420 -7.792 -2.715 1.00 0.00 C ATOM 1333 CG TYR A 89 1.910 -7.820 -2.771 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.207 -6.905 -3.547 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.185 -8.760 -2.049 1.00 0.00 C ATOM 1336 CE1 TYR A 89 -0.173 -6.926 -3.601 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.195 -8.789 -2.098 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.870 -7.870 -2.875 1.00 0.00 C ATOM 1339 OH TYR A 89 -2.245 -7.895 -2.926 1.00 0.00 O ATOM 0 H TYR A 89 3.343 -7.415 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 89 5.127 -8.573 -3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.755 -8.383 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.750 -6.768 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.749 -6.165 -4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.710 -9.480 -1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.704 -6.207 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.743 -9.527 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.580 -8.621 -2.359 1.00 0.00 H new ATOM 1349 N ARG A 90 3.882 -10.739 -4.015 1.00 0.00 N ATOM 1350 CA ARG A 90 3.297 -12.021 -4.391 1.00 0.00 C ATOM 1351 C ARG A 90 3.441 -13.037 -3.262 1.00 0.00 C ATOM 1352 O ARG A 90 4.449 -13.057 -2.557 1.00 0.00 O ATOM 1353 CB ARG A 90 3.963 -12.556 -5.660 1.00 0.00 C ATOM 1354 CG ARG A 90 5.351 -13.128 -5.425 1.00 0.00 C ATOM 1355 CD ARG A 90 6.410 -12.036 -5.415 1.00 0.00 C ATOM 1356 NE ARG A 90 6.619 -11.489 -4.077 1.00 0.00 N ATOM 1357 CZ ARG A 90 7.085 -12.201 -3.057 1.00 0.00 C ATOM 1358 NH1 ARG A 90 7.389 -13.481 -3.221 1.00 0.00 N ATOM 1359 NH2 ARG A 90 7.248 -11.632 -1.869 1.00 0.00 N ATOM 0 H ARG A 90 4.691 -10.809 -3.398 1.00 0.00 H new ATOM 0 HA ARG A 90 2.235 -11.865 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.329 -13.329 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.030 -11.751 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.369 -13.663 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.583 -13.854 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.350 -12.439 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.111 -11.235 -6.092 1.00 0.00 H new ATOM 0 HE ARG A 90 6.395 -10.507 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.265 -13.922 -4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.747 -14.025 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.015 -10.647 -1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.606 -12.179 -1.086 1.00 0.00 H new ATOM 1373 N MET A 91 2.425 -13.877 -3.096 1.00 0.00 N ATOM 1374 CA MET A 91 2.439 -14.896 -2.053 1.00 0.00 C ATOM 1375 C MET A 91 2.112 -16.269 -2.629 1.00 0.00 C ATOM 1376 O MET A 91 2.183 -17.280 -1.930 1.00 0.00 O ATOM 1377 CB MET A 91 1.438 -14.541 -0.951 1.00 0.00 C ATOM 1378 CG MET A 91 -0.006 -14.837 -1.323 1.00 0.00 C ATOM 1379 SD MET A 91 -1.175 -13.750 -0.486 1.00 0.00 S ATOM 1380 CE MET A 91 -0.933 -12.227 -1.397 1.00 0.00 C ATOM 0 H MET A 91 1.582 -13.872 -3.670 1.00 0.00 H new ATOM 0 HA MET A 91 3.442 -14.930 -1.627 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.693 -15.095 -0.048 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.533 -13.482 -0.712 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.128 -14.734 -2.401 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.236 -15.873 -1.074 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.550 -11.458 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.218 -12.395 -2.202 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.884 -11.900 -1.818 1.00 0.00 H new ATOM 1390 N TYR A 92 1.754 -16.299 -3.908 1.00 0.00 N ATOM 1391 CA TYR A 92 1.413 -17.549 -4.578 1.00 0.00 C ATOM 1392 C TYR A 92 0.671 -18.488 -3.633 1.00 0.00 C ATOM 1393 O TYR A 92 0.788 -19.709 -3.734 1.00 0.00 O ATOM 1394 CB TYR A 92 2.677 -18.231 -5.104 1.00 0.00 C ATOM 1395 CG TYR A 92 3.046 -17.819 -6.511 1.00 0.00 C ATOM 1396 CD1 TYR A 92 2.414 -18.387 -7.611 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.026 -16.861 -6.742 1.00 0.00 C ATOM 1398 CE1 TYR A 92 2.748 -18.014 -8.898 1.00 0.00 C ATOM 1399 CE2 TYR A 92 4.366 -16.482 -8.026 1.00 0.00 C ATOM 1400 CZ TYR A 92 3.725 -17.061 -9.101 1.00 0.00 C ATOM 1401 OH TYR A 92 4.060 -16.686 -10.382 1.00 0.00 O ATOM 0 H TYR A 92 1.692 -15.472 -4.502 1.00 0.00 H new ATOM 0 HA TYR A 92 0.758 -17.315 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.508 -18.001 -4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.535 -19.311 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.648 -19.133 -7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.530 -16.405 -5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.247 -18.466 -9.741 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.130 -15.736 -8.187 1.00 0.00 H new ATOM 0 HH TYR A 92 4.764 -16.005 -10.350 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.095 -17.909 -2.714 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.859 -18.693 -1.752 1.00 0.00 C ATOM 1413 C ALA A 93 -2.331 -18.295 -1.765 1.00 0.00 C ATOM 1414 O ALA A 93 -2.668 -17.121 -1.612 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.278 -18.528 -0.356 1.00 0.00 C ATOM 0 H ALA A 93 -0.203 -16.899 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.791 -19.742 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.859 -19.119 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.757 -18.869 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.316 -17.477 -0.068 1.00 0.00 H new ATOM 1421 N SER A 94 -3.205 -19.280 -1.949 1.00 0.00 N ATOM 1422 CA SER A 94 -4.641 -19.031 -1.986 1.00 0.00 C ATOM 1423 C SER A 94 -5.052 -18.057 -0.886 1.00 0.00 C ATOM 1424 O SER A 94 -4.849 -18.321 0.299 1.00 0.00 O ATOM 1425 CB SER A 94 -5.412 -20.343 -1.836 1.00 0.00 C ATOM 1426 OG SER A 94 -4.943 -21.318 -2.751 1.00 0.00 O ATOM 0 H SER A 94 -2.943 -20.258 -2.075 1.00 0.00 H new ATOM 0 HA SER A 94 -4.883 -18.585 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.307 -20.716 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.474 -20.165 -2.002 1.00 0.00 H new ATOM 0 HG SER A 94 -5.451 -22.148 -2.634 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.631 -16.931 -1.288 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.070 -15.916 -0.337 1.00 0.00 C ATOM 1434 C TYR A 95 -7.548 -15.592 -0.529 1.00 0.00 C ATOM 1435 O TYR A 95 -8.041 -15.526 -1.656 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.233 -14.645 -0.494 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.365 -13.997 -1.854 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -4.888 -14.629 -2.996 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -5.968 -12.753 -1.997 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -5.007 -14.040 -4.240 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -6.092 -12.158 -3.237 1.00 0.00 C ATOM 1442 CZ TYR A 95 -5.609 -12.805 -4.355 1.00 0.00 C ATOM 1443 OH TYR A 95 -5.730 -12.216 -5.593 1.00 0.00 O ATOM 0 H TYR A 95 -5.807 -16.698 -2.265 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.932 -16.313 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.530 -13.928 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.185 -14.886 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.416 -15.597 -2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.346 -12.243 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.630 -14.544 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.565 -11.191 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.033 -12.561 -6.189 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.251 -15.389 0.580 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.673 -15.070 0.537 1.00 0.00 C ATOM 1455 C LYS A 96 -9.912 -13.604 0.885 1.00 0.00 C ATOM 1456 O LYS A 96 -10.707 -12.924 0.237 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.448 -15.967 1.505 1.00 0.00 C ATOM 1458 CG LYS A 96 -10.542 -17.413 1.050 1.00 0.00 C ATOM 1459 CD LYS A 96 -9.288 -18.193 1.407 1.00 0.00 C ATOM 1460 CE LYS A 96 -9.540 -19.693 1.390 1.00 0.00 C ATOM 1461 NZ LYS A 96 -8.275 -20.470 1.510 1.00 0.00 N ATOM 0 H LYS A 96 -7.859 -15.440 1.520 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.029 -15.248 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.967 -15.933 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.455 -15.568 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.409 -17.885 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.698 -17.447 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.493 -17.949 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.941 -17.893 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.208 -19.958 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.047 -19.966 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.490 -21.487 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.647 -20.236 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.803 -20.229 2.405 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.218 -13.123 1.911 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.355 -11.737 2.344 1.00 0.00 C ATOM 1477 C ASN A 97 -7.987 -11.105 2.586 1.00 0.00 C ATOM 1478 O ASN A 97 -7.057 -11.770 3.045 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.198 -11.659 3.618 1.00 0.00 C ATOM 1480 CG ASN A 97 -9.887 -12.785 4.586 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -9.044 -12.642 5.471 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -10.569 -13.912 4.421 1.00 0.00 N ATOM 0 H ASN A 97 -8.555 -13.672 2.458 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.857 -11.183 1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.022 -10.702 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.255 -11.692 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.403 -14.704 5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.259 -13.986 3.673 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.872 -9.819 2.275 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.619 -9.096 2.460 1.00 0.00 C ATOM 1491 C LEU A 98 -6.879 -7.645 2.852 1.00 0.00 C ATOM 1492 O LEU A 98 -7.959 -7.108 2.603 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.784 -9.148 1.179 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.902 -10.385 1.003 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.318 -10.428 -0.401 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.793 -10.402 2.045 1.00 0.00 C ATOM 0 H LEU A 98 -8.632 -9.255 1.893 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.067 -9.577 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.459 -9.084 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.147 -8.264 1.148 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.520 -11.272 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.693 -11.315 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.127 -10.464 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.715 -9.536 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.175 -11.289 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.177 -9.510 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.231 -10.419 3.043 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.883 -7.015 3.464 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.001 -5.625 3.888 1.00 0.00 C ATOM 1510 C LYS A 99 -4.745 -4.838 3.527 1.00 0.00 C ATOM 1511 O LYS A 99 -3.632 -5.230 3.878 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.248 -5.550 5.396 1.00 0.00 C ATOM 1513 CG LYS A 99 -5.976 -4.178 5.989 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.682 -3.997 7.323 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.602 -5.257 8.171 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.791 -4.965 9.618 1.00 0.00 N ATOM 0 H LYS A 99 -4.983 -7.445 3.678 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.849 -5.182 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.282 -5.827 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.617 -6.285 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.903 -4.045 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.308 -3.408 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.233 -3.164 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.727 -3.739 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.362 -5.965 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.634 -5.735 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.729 -5.850 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.051 -4.309 9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.725 -4.532 9.766 1.00 0.00 H new ATOM 1530 N VAL A 100 -4.932 -3.724 2.826 1.00 0.00 N ATOM 1531 CA VAL A 100 -3.815 -2.880 2.420 1.00 0.00 C ATOM 1532 C VAL A 100 -3.654 -1.691 3.361 1.00 0.00 C ATOM 1533 O VAL A 100 -4.624 -1.003 3.678 1.00 0.00 O ATOM 1534 CB VAL A 100 -3.997 -2.360 0.982 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -2.891 -1.379 0.624 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.030 -3.520 -0.002 1.00 0.00 C ATOM 0 H VAL A 100 -5.847 -3.385 2.528 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.919 -3.499 2.464 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.950 -1.834 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.037 -1.023 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.918 -0.533 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.924 -1.877 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.159 -3.135 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.094 -4.075 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.861 -4.182 0.243 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.423 -1.456 3.804 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.136 -0.349 4.710 1.00 0.00 C ATOM 1548 C GLU A 101 -1.015 0.528 4.159 1.00 0.00 C ATOM 1549 O GLU A 101 0.056 0.035 3.805 1.00 0.00 O ATOM 1550 CB GLU A 101 -1.750 -0.880 6.092 1.00 0.00 C ATOM 1551 CG GLU A 101 -2.938 -1.096 7.014 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.543 -1.720 8.339 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -1.923 -1.018 9.164 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -2.855 -2.911 8.549 1.00 0.00 O ATOM 0 H GLU A 101 -1.609 -2.016 3.551 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.037 0.257 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.216 -1.823 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.059 -0.180 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.428 -0.140 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.666 -1.737 6.518 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.272 1.830 4.089 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.285 2.776 3.582 1.00 0.00 C ATOM 1563 C ILE A 102 -0.148 3.978 4.511 1.00 0.00 C ATOM 1564 O ILE A 102 -1.086 4.758 4.677 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.653 3.271 2.171 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.194 2.115 1.327 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.556 3.904 1.500 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.670 1.855 1.532 1.00 0.00 C ATOM 0 H ILE A 102 -2.154 2.254 4.377 1.00 0.00 H new ATOM 0 HA ILE A 102 0.666 2.246 3.535 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.432 4.028 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.014 2.330 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.637 1.209 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.280 4.249 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.901 4.750 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.355 3.167 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.984 1.023 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.854 1.608 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.237 2.746 1.264 1.00 0.00 H new ATOM 1580 N LYS A 103 1.027 4.122 5.113 1.00 0.00 N ATOM 1581 CA LYS A 103 1.290 5.231 6.023 1.00 0.00 C ATOM 1582 C LYS A 103 2.496 6.041 5.560 1.00 0.00 C ATOM 1583 O LYS A 103 3.288 5.579 4.737 1.00 0.00 O ATOM 1584 CB LYS A 103 1.528 4.708 7.442 1.00 0.00 C ATOM 1585 CG LYS A 103 0.400 3.836 7.966 1.00 0.00 C ATOM 1586 CD LYS A 103 0.762 3.196 9.296 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.361 2.308 9.811 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.196 1.988 11.255 1.00 0.00 N ATOM 0 H LYS A 103 1.813 3.484 4.987 1.00 0.00 H new ATOM 0 HA LYS A 103 0.416 5.882 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.456 4.136 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.664 5.555 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.501 4.437 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.171 3.058 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.671 2.605 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.977 3.974 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.318 2.806 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.386 1.383 9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.981 1.381 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.706 1.490 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.197 2.869 11.808 1.00 0.00 H new ATOM 1602 N PHE A 104 2.632 7.250 6.093 1.00 0.00 N ATOM 1603 CA PHE A 104 3.742 8.124 5.734 1.00 0.00 C ATOM 1604 C PHE A 104 4.127 9.024 6.905 1.00 0.00 C ATOM 1605 O PHE A 104 3.352 9.886 7.319 1.00 0.00 O ATOM 1606 CB PHE A 104 3.375 8.979 4.519 1.00 0.00 C ATOM 1607 CG PHE A 104 4.171 10.248 4.416 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.555 10.221 4.483 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.536 11.469 4.253 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.291 11.387 4.387 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.267 12.638 4.156 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.646 12.597 4.225 1.00 0.00 C ATOM 0 H PHE A 104 1.987 7.647 6.776 1.00 0.00 H new ATOM 0 HA PHE A 104 4.598 7.497 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.524 8.392 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.315 9.228 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.065 9.278 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.458 11.507 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.369 11.352 4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.760 13.583 4.026 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.219 13.510 4.152 1.00 0.00 H new ATOM 1622 N GLN A 105 5.328 8.815 7.434 1.00 0.00 N ATOM 1623 CA GLN A 105 5.815 9.606 8.558 1.00 0.00 C ATOM 1624 C GLN A 105 4.891 9.466 9.763 1.00 0.00 C ATOM 1625 O GLN A 105 4.830 10.349 10.618 1.00 0.00 O ATOM 1626 CB GLN A 105 5.934 11.078 8.160 1.00 0.00 C ATOM 1627 CG GLN A 105 7.288 11.443 7.574 1.00 0.00 C ATOM 1628 CD GLN A 105 8.286 11.869 8.633 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.408 11.233 9.680 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.007 12.952 8.365 1.00 0.00 N ATOM 0 H GLN A 105 5.981 8.105 7.103 1.00 0.00 H new ATOM 0 HA GLN A 105 6.801 9.231 8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.157 11.313 7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.748 11.699 9.036 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.686 10.588 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.162 12.251 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.873 13.449 7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.695 13.287 9.040 1.00 0.00 H new ATOM 1639 N GLY A 106 4.171 8.349 9.825 1.00 0.00 N ATOM 1640 CA GLY A 106 3.259 8.115 10.929 1.00 0.00 C ATOM 1641 C GLY A 106 1.886 8.706 10.682 1.00 0.00 C ATOM 1642 O GLY A 106 1.322 9.366 11.554 1.00 0.00 O ATOM 0 H GLY A 106 4.204 7.603 9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.164 7.042 11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.678 8.544 11.839 1.00 0.00 H new ATOM 1646 N GLN A 107 1.347 8.470 9.490 1.00 0.00 N ATOM 1647 CA GLN A 107 0.032 8.987 9.131 1.00 0.00 C ATOM 1648 C GLN A 107 -0.476 8.338 7.847 1.00 0.00 C ATOM 1649 O GLN A 107 0.274 8.170 6.886 1.00 0.00 O ATOM 1650 CB GLN A 107 0.086 10.506 8.962 1.00 0.00 C ATOM 1651 CG GLN A 107 0.419 10.949 7.546 1.00 0.00 C ATOM 1652 CD GLN A 107 0.995 12.350 7.493 1.00 0.00 C ATOM 1653 OE1 GLN A 107 0.278 13.320 7.246 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.298 12.464 7.726 1.00 0.00 N ATOM 0 H GLN A 107 1.801 7.924 8.757 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.659 8.743 9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.876 10.930 9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.831 10.913 9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.132 10.250 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.483 10.908 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.855 11.633 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.742 13.382 7.704 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.755 7.976 7.839 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.363 7.346 6.673 1.00 0.00 C ATOM 1665 C HIS A 108 -2.445 8.326 5.507 1.00 0.00 C ATOM 1666 O HIS A 108 -2.638 9.526 5.703 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.760 6.827 7.018 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.749 5.532 7.770 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.882 4.304 7.158 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.618 5.279 9.094 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.835 3.351 8.071 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.675 3.916 9.255 1.00 0.00 N ATOM 0 H HIS A 108 -2.390 8.108 8.626 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.735 6.506 6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.281 7.578 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.328 6.698 6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.492 6.012 9.877 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.914 2.291 7.882 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.605 3.421 10.144 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.297 7.807 4.292 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.355 8.636 3.094 1.00 0.00 C ATOM 1683 C VAL A 109 -3.722 8.542 2.426 1.00 0.00 C ATOM 1684 O VAL A 109 -4.225 9.522 1.878 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.271 8.230 2.078 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.376 9.076 0.818 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.113 8.353 2.699 1.00 0.00 C ATOM 0 H VAL A 109 -2.136 6.816 4.112 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.179 9.664 3.412 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.429 7.188 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.602 8.775 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.357 8.933 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.244 10.127 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.867 8.062 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.284 9.385 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.181 7.700 3.569 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.319 7.355 2.476 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.629 7.134 1.878 1.00 0.00 C ATOM 1699 C ALA A 110 -6.629 6.634 2.915 1.00 0.00 C ATOM 1700 O ALA A 110 -6.323 6.568 4.106 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.523 6.145 0.726 1.00 0.00 C ATOM 0 H ALA A 110 -3.916 6.532 2.925 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.990 8.088 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.509 5.989 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.848 6.541 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.136 5.196 1.096 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.826 6.284 2.457 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.871 5.790 3.345 1.00 0.00 C ATOM 1709 C LYS A 111 -8.414 4.532 4.077 1.00 0.00 C ATOM 1710 O LYS A 111 -9.078 4.065 5.002 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.146 5.496 2.551 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.976 4.363 3.130 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.557 4.733 4.484 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.890 5.452 4.341 1.00 0.00 C ATOM 1715 NZ LYS A 111 -14.030 4.497 4.267 1.00 0.00 N ATOM 0 H LYS A 111 -8.097 6.333 1.475 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.080 6.563 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.756 6.399 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.876 5.249 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.784 4.114 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.357 3.472 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.691 3.832 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.854 5.370 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.033 6.123 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.875 6.070 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.920 5.026 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.907 3.873 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.060 3.925 5.135 1.00 0.00 H new ATOM 1729 N SER A 112 -7.276 3.989 3.657 1.00 0.00 N ATOM 1730 CA SER A 112 -6.731 2.784 4.271 1.00 0.00 C ATOM 1731 C SER A 112 -7.014 2.764 5.770 1.00 0.00 C ATOM 1732 O SER A 112 -7.132 3.803 6.420 1.00 0.00 O ATOM 1733 CB SER A 112 -5.224 2.697 4.023 1.00 0.00 C ATOM 1734 OG SER A 112 -4.580 1.966 5.052 1.00 0.00 O ATOM 0 H SER A 112 -6.713 4.365 2.894 1.00 0.00 H new ATOM 0 HA SER A 112 -7.217 1.921 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.037 2.219 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.803 3.701 3.967 1.00 0.00 H new ATOM 0 HG SER A 112 -3.916 2.537 5.493 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.125 1.551 6.334 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.987 0.308 5.570 1.00 0.00 C ATOM 1742 C PRO A 113 -8.156 0.080 4.617 1.00 0.00 C ATOM 1743 O PRO A 113 -9.185 0.750 4.710 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.963 -0.773 6.653 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.692 -0.172 7.805 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.395 1.302 7.759 1.00 0.00 C ATOM 0 HA PRO A 113 -6.100 0.316 4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.448 -1.687 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.941 -1.038 6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.763 -0.357 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.360 -0.608 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.238 1.893 8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.538 1.559 8.381 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.990 -0.868 3.701 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.031 -1.183 2.730 1.00 0.00 C ATOM 1756 C TYR A 114 -9.516 -2.619 2.897 1.00 0.00 C ATOM 1757 O TYR A 114 -8.858 -3.563 2.460 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.510 -0.971 1.307 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.582 0.467 0.844 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.806 1.106 0.687 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.427 1.185 0.562 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.876 2.419 0.263 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.488 2.499 0.139 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.715 3.111 -0.009 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.780 4.419 -0.431 1.00 0.00 O ATOM 0 H TYR A 114 -7.145 -1.431 3.611 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.872 -0.512 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.475 -1.310 1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.085 -1.594 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.718 0.567 0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.465 0.708 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.835 2.901 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.580 3.044 -0.074 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.695 4.626 -0.714 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.673 -2.775 3.532 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.248 -4.096 3.756 1.00 0.00 C ATOM 1777 C ILE A 115 -11.891 -4.638 2.484 1.00 0.00 C ATOM 1778 O ILE A 115 -12.964 -4.192 2.078 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.303 -4.067 4.878 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.844 -3.153 6.016 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.565 -5.474 5.395 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.433 -3.434 6.485 1.00 0.00 C ATOM 0 H ILE A 115 -11.230 -2.004 3.900 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.429 -4.751 4.054 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.233 -3.671 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.909 -2.116 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.527 -3.264 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.313 -5.437 6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.930 -6.099 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.640 -5.895 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.175 -2.749 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.367 -4.461 6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.739 -3.295 5.656 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.228 -5.606 1.860 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.735 -6.212 0.634 1.00 0.00 C ATOM 1796 C LEU A 116 -12.308 -7.599 0.909 1.00 0.00 C ATOM 1797 O LEU A 116 -11.585 -8.516 1.297 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.621 -6.307 -0.410 1.00 0.00 C ATOM 1799 CG LEU A 116 -9.812 -5.031 -0.646 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.383 -5.370 -1.041 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.472 -4.169 -1.712 1.00 0.00 C ATOM 0 H LEU A 116 -10.339 -5.988 2.183 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.534 -5.578 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.934 -7.098 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.064 -6.613 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.785 -4.464 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.823 -4.450 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.912 -5.945 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.389 -5.959 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.882 -3.266 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.531 -4.727 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.476 -3.896 -1.388 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.613 -7.745 0.703 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.285 -9.020 0.924 1.00 0.00 C ATOM 1815 C LYS A 117 -15.660 -9.033 0.264 1.00 0.00 C ATOM 1816 O LYS A 117 -16.358 -8.020 0.244 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.425 -9.292 2.424 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.237 -8.240 3.160 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.444 -8.615 4.618 1.00 0.00 C ATOM 1820 CE LYS A 117 -14.297 -8.125 5.488 1.00 0.00 C ATOM 1821 NZ LYS A 117 -14.136 -8.956 6.713 1.00 0.00 N ATOM 0 H LYS A 117 -14.226 -6.995 0.383 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.678 -9.805 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.894 -10.266 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.431 -9.349 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -14.728 -7.278 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.205 -8.120 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.381 -8.188 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.533 -9.698 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.371 -8.143 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -14.475 -7.088 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.344 -8.590 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.010 -8.919 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.941 -9.941 6.441 1.00 0.00 H new ATOM 1835 N GLY A 118 -16.042 -10.187 -0.274 1.00 0.00 N ATOM 1836 CA GLY A 118 -17.333 -10.309 -0.926 1.00 0.00 C ATOM 1837 C GLY A 118 -17.890 -11.717 -0.851 1.00 0.00 C ATOM 1838 O GLY A 118 -17.240 -12.672 -1.275 1.00 0.00 O ATOM 0 H GLY A 118 -15.481 -11.039 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -18.037 -9.618 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.238 -10.014 -1.971 1.00 0.00 H new ATOM 1842 N SER A 119 -19.096 -11.847 -0.307 1.00 0.00 N ATOM 1843 CA SER A 119 -19.737 -13.149 -0.172 1.00 0.00 C ATOM 1844 C SER A 119 -20.937 -13.263 -1.108 1.00 0.00 C ATOM 1845 O SER A 119 -21.147 -14.296 -1.742 1.00 0.00 O ATOM 1846 CB SER A 119 -20.181 -13.375 1.275 1.00 0.00 C ATOM 1847 OG SER A 119 -20.190 -14.755 1.596 1.00 0.00 O ATOM 0 H SER A 119 -19.648 -11.066 0.047 1.00 0.00 H new ATOM 0 HA SER A 119 -19.011 -13.914 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 119 -19.510 -12.845 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 119 -21.177 -12.958 1.422 1.00 0.00 H new ATOM 0 HG SER A 119 -20.475 -14.873 2.526 1.00 0.00 H new ATOM 1853 N GLY A 120 -21.722 -12.193 -1.187 1.00 0.00 N ATOM 1854 CA GLY A 120 -22.891 -12.192 -2.047 1.00 0.00 C ATOM 1855 C GLY A 120 -22.775 -11.196 -3.183 1.00 0.00 C ATOM 1856 O GLY A 120 -21.781 -10.480 -3.310 1.00 0.00 O ATOM 0 H GLY A 120 -21.569 -11.327 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -23.037 -13.191 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -23.775 -11.959 -1.453 1.00 0.00 H new ATOM 1860 N PRO A 121 -23.808 -11.142 -4.036 1.00 0.00 N ATOM 1861 CA PRO A 121 -23.841 -10.230 -5.183 1.00 0.00 C ATOM 1862 C PRO A 121 -23.987 -8.772 -4.761 1.00 0.00 C ATOM 1863 O PRO A 121 -24.000 -7.871 -5.600 1.00 0.00 O ATOM 1864 CB PRO A 121 -25.076 -10.686 -5.964 1.00 0.00 C ATOM 1865 CG PRO A 121 -25.952 -11.331 -4.945 1.00 0.00 C ATOM 1866 CD PRO A 121 -25.025 -11.966 -3.946 1.00 0.00 C ATOM 0 HA PRO A 121 -22.917 -10.268 -5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -25.577 -9.843 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -24.808 -11.386 -6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -26.599 -10.597 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -26.601 -12.077 -5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -25.447 -11.951 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -24.823 -13.009 -4.192 1.00 0.00 H new ATOM 1874 N SER A 122 -24.095 -8.547 -3.456 1.00 0.00 N ATOM 1875 CA SER A 122 -24.243 -7.197 -2.923 1.00 0.00 C ATOM 1876 C SER A 122 -22.887 -6.615 -2.534 1.00 0.00 C ATOM 1877 O SER A 122 -21.984 -7.341 -2.119 1.00 0.00 O ATOM 1878 CB SER A 122 -25.174 -7.205 -1.709 1.00 0.00 C ATOM 1879 OG SER A 122 -25.462 -5.886 -1.279 1.00 0.00 O ATOM 0 H SER A 122 -24.083 -9.281 -2.748 1.00 0.00 H new ATOM 0 HA SER A 122 -24.678 -6.571 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 122 -26.101 -7.719 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 122 -24.711 -7.763 -0.895 1.00 0.00 H new ATOM 0 HG SER A 122 -26.060 -5.918 -0.503 1.00 0.00 H new ATOM 1885 N SER A 123 -22.753 -5.300 -2.673 1.00 0.00 N ATOM 1886 CA SER A 123 -21.507 -4.620 -2.340 1.00 0.00 C ATOM 1887 C SER A 123 -21.182 -4.776 -0.858 1.00 0.00 C ATOM 1888 O SER A 123 -20.090 -5.210 -0.493 1.00 0.00 O ATOM 1889 CB SER A 123 -21.600 -3.136 -2.700 1.00 0.00 C ATOM 1890 OG SER A 123 -20.334 -2.506 -2.601 1.00 0.00 O ATOM 0 H SER A 123 -23.492 -4.685 -3.014 1.00 0.00 H new ATOM 0 HA SER A 123 -20.706 -5.078 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 123 -21.985 -3.028 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 123 -22.309 -2.641 -2.036 1.00 0.00 H new ATOM 0 HG SER A 123 -20.420 -1.559 -2.838 1.00 0.00 H new ATOM 1896 N GLY A 124 -22.138 -4.417 -0.007 1.00 0.00 N ATOM 1897 CA GLY A 124 -21.935 -4.523 1.426 1.00 0.00 C ATOM 1898 C GLY A 124 -23.233 -4.732 2.181 1.00 0.00 C ATOM 1899 O GLY A 124 -23.225 -4.961 3.390 1.00 0.00 O ATOM 0 H GLY A 124 -23.050 -4.054 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -21.260 -5.353 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -21.449 -3.618 1.789 1.00 0.00 H new TER 1903 GLY A 124