USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 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 104 LYS NZ :NH3+ 175:sc= 0.697 (180deg=0) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= 0.545 F(o=-1.3,f=1.2) USER MOD Set 2.1: A 43 THR OG1 : rot -73:sc= 1.14 USER MOD Set 2.2: A 71 MET CE :methyl 166:sc= -0.488 (180deg=-0.732) USER MOD Set 3.1: A 56 THR OG1 : rot 120:sc= -0.27 USER MOD Set 3.2: A 66 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.185 (180deg=-0.863) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 28:sc= 0.0748 USER MOD Single : A 5 HIS : no HD1:sc= -0.827 X(o=-0.83,f=-0.75) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -1.1 F(o=-1.7,f=-1.1) USER MOD Single : A 9 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.0026) USER MOD Single : A 10 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.21) USER MOD Single : A 11 SER OG : rot 180:sc= -0.164 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 32:sc= 0.126 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 30 SER OG : rot 180:sc= 0.153 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.0013) USER MOD Single : A 39 GLN : amide:sc=-0.00569 X(o=-0.0057,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0851) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.267 F(o=-0.79,f=-0.27) USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= -2.91 (180deg=-4.07!) USER MOD Single : A 67 MET CE :methyl 150:sc= -4.9! (180deg=-7.33!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.235 F(o=-1.9,f=-0.24) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.041) USER MOD Single : A 89 TYR OH : rot -71:sc= 0.0371 USER MOD Single : A 90 THR OG1 : rot 29:sc= 0.417 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= -0.132 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.655 17.787 58.576 1.00 73.13 N ATOM 2 CA MET A 1 40.232 17.816 58.253 1.00 31.33 C ATOM 3 C MET A 1 39.983 18.591 56.963 1.00 65.44 C ATOM 4 O MET A 1 40.254 19.789 56.885 1.00 71.14 O ATOM 5 CB MET A 1 39.441 18.446 59.401 1.00 35.23 C ATOM 6 CG MET A 1 39.578 17.697 60.717 1.00 2.23 C ATOM 7 SD MET A 1 39.275 18.749 62.149 1.00 15.30 S ATOM 8 CE MET A 1 37.502 18.568 62.333 1.00 43.44 C ATOM 0 H1 MET A 1 41.870 16.928 59.121 1.00 73.13 H new ATOM 0 H2 MET A 1 42.211 17.788 57.697 1.00 73.13 H new ATOM 0 H3 MET A 1 41.900 18.625 59.141 1.00 73.13 H new ATOM 0 HA MET A 1 39.896 16.789 58.109 1.00 31.33 H new ATOM 0 HB2 MET A 1 39.776 19.474 59.541 1.00 35.23 H new ATOM 0 HB3 MET A 1 38.387 18.489 59.125 1.00 35.23 H new ATOM 0 HG2 MET A 1 38.878 16.862 60.730 1.00 2.23 H new ATOM 0 HG3 MET A 1 40.580 17.274 60.787 1.00 2.23 H new ATOM 0 HE1 MET A 1 37.162 19.162 63.181 1.00 43.44 H new ATOM 0 HE2 MET A 1 37.005 18.913 61.426 1.00 43.44 H new ATOM 0 HE3 MET A 1 37.259 17.519 62.504 1.00 43.44 H new ATOM 18 N GLY A 2 39.466 17.899 55.952 1.00 3.02 N ATOM 19 CA GLY A 2 39.190 18.539 54.679 1.00 72.41 C ATOM 20 C GLY A 2 39.202 17.558 53.523 1.00 22.22 C ATOM 21 O GLY A 2 40.152 16.792 53.360 1.00 1.33 O ATOM 0 H GLY A 2 39.233 16.907 55.992 1.00 3.02 H new ATOM 0 HA2 GLY A 2 38.218 19.029 54.725 1.00 72.41 H new ATOM 0 HA3 GLY A 2 39.931 19.318 54.499 1.00 72.41 H new ATOM 25 N SER A 3 38.144 17.581 52.719 1.00 23.14 N ATOM 26 CA SER A 3 38.034 16.683 51.576 1.00 63.03 C ATOM 27 C SER A 3 37.978 17.471 50.270 1.00 63.01 C ATOM 28 O SER A 3 38.070 18.698 50.269 1.00 44.11 O ATOM 29 CB SER A 3 36.790 15.803 51.707 1.00 1.11 C ATOM 30 OG SER A 3 35.607 16.584 51.668 1.00 23.51 O ATOM 0 H SER A 3 37.351 18.212 52.838 1.00 23.14 H new ATOM 0 HA SER A 3 38.919 16.047 51.560 1.00 63.03 H new ATOM 0 HB2 SER A 3 36.772 15.070 50.900 1.00 1.11 H new ATOM 0 HB3 SER A 3 36.831 15.246 52.643 1.00 1.11 H new ATOM 0 HG SER A 3 34.826 15.999 51.752 1.00 23.51 H new ATOM 36 N SER A 4 37.825 16.756 49.161 1.00 70.55 N ATOM 37 CA SER A 4 37.760 17.386 47.847 1.00 52.14 C ATOM 38 C SER A 4 36.857 16.593 46.907 1.00 31.54 C ATOM 39 O SER A 4 36.420 15.488 47.233 1.00 13.30 O ATOM 40 CB SER A 4 39.162 17.506 47.246 1.00 51.15 C ATOM 41 OG SER A 4 39.782 18.719 47.635 1.00 63.25 O ATOM 0 H SER A 4 37.744 15.739 49.145 1.00 70.55 H new ATOM 0 HA SER A 4 37.338 18.384 47.970 1.00 52.14 H new ATOM 0 HB2 SER A 4 39.772 16.662 47.568 1.00 51.15 H new ATOM 0 HB3 SER A 4 39.100 17.458 46.159 1.00 51.15 H new ATOM 0 HG SER A 4 39.426 19.005 48.502 1.00 63.25 H new ATOM 47 N HIS A 5 36.581 17.164 45.740 1.00 73.24 N ATOM 48 CA HIS A 5 35.730 16.511 44.752 1.00 51.24 C ATOM 49 C HIS A 5 36.135 16.911 43.336 1.00 45.24 C ATOM 50 O HIS A 5 36.633 18.014 43.110 1.00 3.21 O ATOM 51 CB HIS A 5 34.263 16.869 44.994 1.00 21.03 C ATOM 52 CG HIS A 5 33.784 16.530 46.372 1.00 1.13 C ATOM 53 ND1 HIS A 5 33.319 15.280 46.722 1.00 5.31 N ATOM 54 CD2 HIS A 5 33.701 17.288 47.491 1.00 63.40 C ATOM 55 CE1 HIS A 5 32.970 15.283 47.995 1.00 34.13 C ATOM 56 NE2 HIS A 5 33.191 16.488 48.486 1.00 4.54 N ATOM 0 H HIS A 5 36.934 18.077 45.455 1.00 73.24 H new ATOM 0 HA HIS A 5 35.856 15.433 44.857 1.00 51.24 H new ATOM 0 HB2 HIS A 5 34.125 17.937 44.822 1.00 21.03 H new ATOM 0 HB3 HIS A 5 33.645 16.346 44.264 1.00 21.03 H new ATOM 0 HD2 HIS A 5 33.983 18.326 47.584 1.00 63.40 H new ATOM 0 HE1 HIS A 5 32.571 14.442 48.542 1.00 34.13 H new ATOM 0 HE2 HIS A 5 33.012 16.778 49.447 1.00 4.54 H new ATOM 65 N HIS A 6 35.920 16.006 42.386 1.00 42.20 N ATOM 66 CA HIS A 6 36.264 16.265 40.992 1.00 73.30 C ATOM 67 C HIS A 6 35.088 15.942 40.074 1.00 3.13 C ATOM 68 O HIS A 6 34.226 15.132 40.414 1.00 51.22 O ATOM 69 CB HIS A 6 37.486 15.441 40.585 1.00 11.10 C ATOM 70 CG HIS A 6 38.776 15.977 41.122 1.00 3.13 C ATOM 71 ND1 HIS A 6 39.409 17.084 40.597 1.00 65.42 N ATOM 72 CD2 HIS A 6 39.553 15.555 42.147 1.00 33.52 C ATOM 73 CE1 HIS A 6 40.520 17.317 41.273 1.00 72.23 C ATOM 74 NE2 HIS A 6 40.629 16.403 42.220 1.00 10.14 N ATOM 0 H HIS A 6 35.510 15.088 42.556 1.00 42.20 H new ATOM 0 HA HIS A 6 36.500 17.324 40.892 1.00 73.30 H new ATOM 0 HB2 HIS A 6 37.355 14.416 40.933 1.00 11.10 H new ATOM 0 HB3 HIS A 6 37.543 15.404 39.497 1.00 11.10 H new ATOM 0 HD2 HIS A 6 39.361 14.708 42.789 1.00 33.52 H new ATOM 0 HE1 HIS A 6 41.219 18.118 41.084 1.00 72.23 H new ATOM 0 HE2 HIS A 6 41.390 16.338 42.896 1.00 10.14 H new ATOM 83 N HIS A 7 35.061 16.582 38.909 1.00 63.31 N ATOM 84 CA HIS A 7 33.991 16.363 37.942 1.00 64.50 C ATOM 85 C HIS A 7 34.563 16.034 36.565 1.00 12.33 C ATOM 86 O HIS A 7 35.764 16.169 36.332 1.00 1.31 O ATOM 87 CB HIS A 7 33.094 17.598 37.853 1.00 2.33 C ATOM 88 CG HIS A 7 32.006 17.622 38.881 1.00 74.33 C ATOM 89 ND1 HIS A 7 30.686 17.875 38.573 1.00 54.14 N ATOM 90 CD2 HIS A 7 32.046 17.422 40.218 1.00 32.21 C ATOM 91 CE1 HIS A 7 29.961 17.830 39.676 1.00 2.31 C ATOM 92 NE2 HIS A 7 30.763 17.556 40.689 1.00 12.54 N ATOM 0 H HIS A 7 35.767 17.256 38.612 1.00 63.31 H new ATOM 0 HA HIS A 7 33.396 15.515 38.281 1.00 64.50 H new ATOM 0 HB2 HIS A 7 33.708 18.492 37.964 1.00 2.33 H new ATOM 0 HB3 HIS A 7 32.646 17.641 36.860 1.00 2.33 H new ATOM 0 HD2 HIS A 7 32.924 17.198 40.806 1.00 32.21 H new ATOM 0 HE1 HIS A 7 28.895 17.990 39.739 1.00 2.31 H new ATOM 0 HE2 HIS A 7 30.476 17.460 41.663 1.00 12.54 H new ATOM 101 N HIS A 8 33.693 15.602 35.657 1.00 3.12 N ATOM 102 CA HIS A 8 34.111 15.253 34.304 1.00 4.42 C ATOM 103 C HIS A 8 32.973 15.470 33.311 1.00 44.01 C ATOM 104 O HIS A 8 31.848 15.782 33.700 1.00 41.23 O ATOM 105 CB HIS A 8 34.580 13.799 34.250 1.00 1.21 C ATOM 106 CG HIS A 8 35.748 13.513 35.144 1.00 2.13 C ATOM 107 ND1 HIS A 8 35.800 13.194 36.458 1.00 70.41 N flip ATOM 108 CD2 HIS A 8 37.056 13.541 34.706 1.00 64.12 C flip ATOM 109 CE1 HIS A 8 37.124 13.035 36.787 1.00 64.34 C flip ATOM 110 NE2 HIS A 8 37.861 13.250 35.712 1.00 65.03 N flip ATOM 0 H HIS A 8 32.695 15.485 35.834 1.00 3.12 H new ATOM 0 HA HIS A 8 34.940 15.904 34.028 1.00 4.42 H new ATOM 0 HB2 HIS A 8 33.751 13.148 34.529 1.00 1.21 H new ATOM 0 HB3 HIS A 8 34.849 13.550 33.223 1.00 1.21 H new ATOM 0 HD2 HIS A 8 37.372 13.766 33.698 1.00 64.12 H new ATOM 0 HE1 HIS A 8 37.501 12.776 37.765 1.00 64.34 H new ATOM 0 HE2 HIS A 8 38.879 13.200 35.667 1.00 65.03 H new ATOM 119 N HIS A 9 33.275 15.304 32.027 1.00 3.01 N ATOM 120 CA HIS A 9 32.278 15.483 30.978 1.00 72.32 C ATOM 121 C HIS A 9 32.563 14.563 29.795 1.00 22.20 C ATOM 122 O HIS A 9 33.698 14.473 29.325 1.00 0.01 O ATOM 123 CB HIS A 9 32.250 16.938 30.512 1.00 22.23 C ATOM 124 CG HIS A 9 31.007 17.303 29.761 1.00 50.12 C ATOM 125 ND1 HIS A 9 30.943 18.366 28.885 1.00 61.04 N ATOM 126 CD2 HIS A 9 29.777 16.739 29.757 1.00 1.41 C ATOM 127 CE1 HIS A 9 29.726 18.441 28.375 1.00 33.54 C ATOM 128 NE2 HIS A 9 28.999 17.464 28.888 1.00 11.54 N ATOM 0 H HIS A 9 34.202 15.046 31.688 1.00 3.01 H new ATOM 0 HA HIS A 9 31.303 15.224 31.391 1.00 72.32 H new ATOM 0 HB2 HIS A 9 32.345 17.591 31.380 1.00 22.23 H new ATOM 0 HB3 HIS A 9 33.116 17.124 29.877 1.00 22.23 H new ATOM 0 HD2 HIS A 9 29.465 15.879 30.331 1.00 1.41 H new ATOM 0 HE1 HIS A 9 29.384 19.175 27.661 1.00 33.54 H new ATOM 0 HE2 HIS A 9 28.019 17.278 28.673 1.00 11.54 H new ATOM 137 N HIS A 10 31.526 13.880 29.318 1.00 43.11 N ATOM 138 CA HIS A 10 31.667 12.966 28.190 1.00 52.40 C ATOM 139 C HIS A 10 30.354 12.848 27.421 1.00 31.52 C ATOM 140 O HIS A 10 29.289 13.189 27.935 1.00 14.34 O ATOM 141 CB HIS A 10 32.114 11.587 28.675 1.00 4.32 C ATOM 142 CG HIS A 10 33.578 11.506 28.980 1.00 64.01 C ATOM 143 ND1 HIS A 10 34.074 11.350 30.257 1.00 70.12 N ATOM 144 CD2 HIS A 10 34.657 11.558 28.164 1.00 54.14 C ATOM 145 CE1 HIS A 10 35.393 11.311 30.213 1.00 32.23 C ATOM 146 NE2 HIS A 10 35.773 11.435 28.955 1.00 13.50 N ATOM 0 H HIS A 10 30.580 13.942 29.695 1.00 43.11 H new ATOM 0 HA HIS A 10 32.426 13.369 27.520 1.00 52.40 H new ATOM 0 HB2 HIS A 10 31.550 11.325 29.570 1.00 4.32 H new ATOM 0 HB3 HIS A 10 31.868 10.846 27.915 1.00 4.32 H new ATOM 0 HD2 HIS A 10 34.643 11.675 27.090 1.00 54.14 H new ATOM 0 HE1 HIS A 10 36.050 11.197 31.063 1.00 32.23 H new ATOM 0 HE2 HIS A 10 36.738 11.439 28.624 1.00 13.50 H new ATOM 155 N SER A 11 30.438 12.360 26.187 1.00 53.00 N ATOM 156 CA SER A 11 29.258 12.201 25.346 1.00 33.42 C ATOM 157 C SER A 11 29.382 10.960 24.467 1.00 72.13 C ATOM 158 O SER A 11 30.460 10.380 24.340 1.00 2.32 O ATOM 159 CB SER A 11 29.055 13.441 24.474 1.00 72.12 C ATOM 160 OG SER A 11 27.880 13.326 23.691 1.00 53.33 O ATOM 0 H SER A 11 31.311 12.068 25.748 1.00 53.00 H new ATOM 0 HA SER A 11 28.392 12.079 25.996 1.00 33.42 H new ATOM 0 HB2 SER A 11 28.990 14.327 25.106 1.00 72.12 H new ATOM 0 HB3 SER A 11 29.918 13.577 23.823 1.00 72.12 H new ATOM 0 HG SER A 11 27.771 14.132 23.144 1.00 53.33 H new ATOM 166 N SER A 12 28.269 10.559 23.860 1.00 14.50 N ATOM 167 CA SER A 12 28.251 9.386 22.994 1.00 33.23 C ATOM 168 C SER A 12 27.546 9.694 21.677 1.00 63.23 C ATOM 169 O SER A 12 28.185 9.824 20.634 1.00 45.14 O ATOM 170 CB SER A 12 27.554 8.219 23.697 1.00 64.14 C ATOM 171 OG SER A 12 27.510 7.074 22.862 1.00 21.11 O ATOM 0 H SER A 12 27.369 11.029 23.952 1.00 14.50 H new ATOM 0 HA SER A 12 29.283 9.108 22.778 1.00 33.23 H new ATOM 0 HB2 SER A 12 28.081 7.980 24.621 1.00 64.14 H new ATOM 0 HB3 SER A 12 26.541 8.510 23.974 1.00 64.14 H new ATOM 0 HG SER A 12 27.062 6.342 23.334 1.00 21.11 H new ATOM 177 N GLY A 13 26.223 9.811 21.733 1.00 65.42 N ATOM 178 CA GLY A 13 25.452 10.102 20.538 1.00 52.20 C ATOM 179 C GLY A 13 25.202 8.869 19.694 1.00 63.43 C ATOM 180 O GLY A 13 25.612 7.764 20.056 1.00 3.42 O ATOM 0 H GLY A 13 25.671 9.709 22.585 1.00 65.42 H new ATOM 0 HA2 GLY A 13 24.497 10.542 20.824 1.00 52.20 H new ATOM 0 HA3 GLY A 13 25.980 10.846 19.941 1.00 52.20 H new ATOM 184 N LEU A 14 24.527 9.053 18.565 1.00 74.12 N ATOM 185 CA LEU A 14 24.220 7.945 17.667 1.00 63.52 C ATOM 186 C LEU A 14 25.422 7.606 16.791 1.00 71.23 C ATOM 187 O LEU A 14 26.470 8.246 16.882 1.00 53.23 O ATOM 188 CB LEU A 14 23.017 8.292 16.789 1.00 62.13 C ATOM 189 CG LEU A 14 21.677 8.435 17.512 1.00 61.43 C ATOM 190 CD1 LEU A 14 20.697 9.233 16.667 1.00 31.33 C ATOM 191 CD2 LEU A 14 21.103 7.065 17.846 1.00 5.12 C ATOM 0 H LEU A 14 24.182 9.959 18.249 1.00 74.12 H new ATOM 0 HA LEU A 14 23.978 7.073 18.275 1.00 63.52 H new ATOM 0 HB2 LEU A 14 23.229 9.227 16.270 1.00 62.13 H new ATOM 0 HB3 LEU A 14 22.915 7.520 16.026 1.00 62.13 H new ATOM 0 HG LEU A 14 21.845 8.975 18.444 1.00 61.43 H new ATOM 0 HD11 LEU A 14 19.749 9.324 17.198 1.00 31.33 H new ATOM 0 HD12 LEU A 14 21.104 10.226 16.478 1.00 31.33 H new ATOM 0 HD13 LEU A 14 20.534 8.721 15.718 1.00 31.33 H new ATOM 0 HD21 LEU A 14 20.149 7.186 18.360 1.00 5.12 H new ATOM 0 HD22 LEU A 14 20.950 6.500 16.926 1.00 5.12 H new ATOM 0 HD23 LEU A 14 21.798 6.527 18.491 1.00 5.12 H new ATOM 203 N VAL A 15 25.263 6.596 15.941 1.00 73.13 N ATOM 204 CA VAL A 15 26.334 6.174 15.046 1.00 30.25 C ATOM 205 C VAL A 15 25.846 6.096 13.604 1.00 14.42 C ATOM 206 O VAL A 15 24.655 5.937 13.333 1.00 21.02 O ATOM 207 CB VAL A 15 26.902 4.803 15.458 1.00 31.14 C ATOM 208 CG1 VAL A 15 27.834 4.950 16.652 1.00 24.51 C ATOM 209 CG2 VAL A 15 25.775 3.831 15.768 1.00 34.53 C ATOM 0 H VAL A 15 24.403 6.055 15.854 1.00 73.13 H new ATOM 0 HA VAL A 15 27.122 6.923 15.120 1.00 30.25 H new ATOM 0 HB VAL A 15 27.478 4.401 14.624 1.00 31.14 H new ATOM 0 HG11 VAL A 15 28.226 3.972 16.930 1.00 24.51 H new ATOM 0 HG12 VAL A 15 28.660 5.611 16.390 1.00 24.51 H new ATOM 0 HG13 VAL A 15 27.284 5.373 17.493 1.00 24.51 H new ATOM 0 HG21 VAL A 15 26.195 2.868 16.057 1.00 34.53 H new ATOM 0 HG22 VAL A 15 25.170 4.224 16.586 1.00 34.53 H new ATOM 0 HG23 VAL A 15 25.151 3.704 14.884 1.00 34.53 H new ATOM 219 N PRO A 16 26.786 6.210 12.655 1.00 42.41 N ATOM 220 CA PRO A 16 26.476 6.155 11.223 1.00 71.45 C ATOM 221 C PRO A 16 26.053 4.760 10.775 1.00 65.25 C ATOM 222 O PRO A 16 25.861 3.865 11.598 1.00 71.02 O ATOM 223 CB PRO A 16 27.795 6.554 10.558 1.00 25.44 C ATOM 224 CG PRO A 16 28.844 6.190 11.552 1.00 3.12 C ATOM 225 CD PRO A 16 28.224 6.402 12.905 1.00 72.20 C ATOM 0 HA PRO A 16 25.639 6.803 10.962 1.00 71.45 H new ATOM 0 HB2 PRO A 16 27.940 6.024 9.617 1.00 25.44 H new ATOM 0 HB3 PRO A 16 27.818 7.620 10.331 1.00 25.44 H new ATOM 0 HG2 PRO A 16 29.159 5.154 11.425 1.00 3.12 H new ATOM 0 HG3 PRO A 16 29.731 6.811 11.428 1.00 3.12 H new ATOM 0 HD2 PRO A 16 28.603 5.689 13.637 1.00 72.20 H new ATOM 0 HD3 PRO A 16 28.435 7.399 13.292 1.00 72.20 H new ATOM 233 N ARG A 17 25.912 4.581 9.465 1.00 15.54 N ATOM 234 CA ARG A 17 25.512 3.295 8.908 1.00 71.21 C ATOM 235 C ARG A 17 26.420 2.898 7.748 1.00 53.41 C ATOM 236 O ARG A 17 27.289 3.666 7.337 1.00 64.45 O ATOM 237 CB ARG A 17 24.058 3.350 8.436 1.00 31.54 C ATOM 238 CG ARG A 17 23.749 4.547 7.553 1.00 15.53 C ATOM 239 CD ARG A 17 23.297 5.744 8.376 1.00 30.25 C ATOM 240 NE ARG A 17 22.606 6.739 7.562 1.00 74.22 N ATOM 241 CZ ARG A 17 22.059 7.844 8.058 1.00 63.41 C ATOM 242 NH1 ARG A 17 22.125 8.094 9.358 1.00 52.10 N ATOM 243 NH2 ARG A 17 21.446 8.702 7.252 1.00 21.12 N ATOM 0 H ARG A 17 26.069 5.311 8.770 1.00 15.54 H new ATOM 0 HA ARG A 17 25.604 2.544 9.692 1.00 71.21 H new ATOM 0 HB2 ARG A 17 23.828 2.436 7.888 1.00 31.54 H new ATOM 0 HB3 ARG A 17 23.403 3.373 9.307 1.00 31.54 H new ATOM 0 HG2 ARG A 17 24.635 4.814 6.977 1.00 15.53 H new ATOM 0 HG3 ARG A 17 22.971 4.281 6.837 1.00 15.53 H new ATOM 0 HD2 ARG A 17 22.636 5.406 9.174 1.00 30.25 H new ATOM 0 HD3 ARG A 17 24.163 6.204 8.853 1.00 30.25 H new ATOM 0 HE ARG A 17 22.539 6.577 6.557 1.00 74.22 H new ATOM 0 HH11 ARG A 17 22.596 7.438 9.980 1.00 52.10 H new ATOM 0 HH12 ARG A 17 21.704 8.943 9.736 1.00 52.10 H new ATOM 0 HH21 ARG A 17 21.394 8.514 6.251 1.00 21.12 H new ATOM 0 HH22 ARG A 17 21.026 9.550 7.634 1.00 21.12 H new ATOM 257 N GLY A 18 26.211 1.693 7.225 1.00 3.45 N ATOM 258 CA GLY A 18 27.019 1.216 6.117 1.00 20.23 C ATOM 259 C GLY A 18 26.536 -0.116 5.580 1.00 72.12 C ATOM 260 O GLY A 18 25.397 -0.514 5.822 1.00 61.11 O ATOM 0 H GLY A 18 25.498 1.040 7.548 1.00 3.45 H new ATOM 0 HA2 GLY A 18 27.004 1.955 5.316 1.00 20.23 H new ATOM 0 HA3 GLY A 18 28.055 1.119 6.442 1.00 20.23 H new ATOM 264 N SER A 19 27.403 -0.806 4.847 1.00 25.10 N ATOM 265 CA SER A 19 27.057 -2.099 4.268 1.00 44.13 C ATOM 266 C SER A 19 26.926 -3.163 5.354 1.00 14.14 C ATOM 267 O SER A 19 27.016 -2.864 6.546 1.00 60.33 O ATOM 268 CB SER A 19 28.115 -2.525 3.248 1.00 53.45 C ATOM 269 OG SER A 19 29.303 -2.950 3.891 1.00 2.21 O ATOM 0 H SER A 19 28.351 -0.491 4.640 1.00 25.10 H new ATOM 0 HA SER A 19 26.096 -1.997 3.764 1.00 44.13 H new ATOM 0 HB2 SER A 19 27.724 -3.333 2.630 1.00 53.45 H new ATOM 0 HB3 SER A 19 28.337 -1.692 2.581 1.00 53.45 H new ATOM 0 HG SER A 19 29.962 -3.218 3.217 1.00 2.21 H new ATOM 275 N HIS A 20 26.710 -4.405 4.934 1.00 62.11 N ATOM 276 CA HIS A 20 26.566 -5.515 5.869 1.00 33.45 C ATOM 277 C HIS A 20 27.747 -6.475 5.760 1.00 55.14 C ATOM 278 O HIS A 20 27.579 -7.691 5.839 1.00 22.41 O ATOM 279 CB HIS A 20 25.259 -6.264 5.608 1.00 53.11 C ATOM 280 CG HIS A 20 24.682 -6.907 6.832 1.00 42.43 C ATOM 281 ND1 HIS A 20 25.453 -7.330 7.893 1.00 32.32 N ATOM 282 CD2 HIS A 20 23.401 -7.197 7.160 1.00 44.55 C ATOM 283 CE1 HIS A 20 24.671 -7.854 8.821 1.00 25.52 C ATOM 284 NE2 HIS A 20 23.421 -7.785 8.401 1.00 42.45 N ATOM 0 H HIS A 20 26.631 -4.668 3.952 1.00 62.11 H new ATOM 0 HA HIS A 20 26.546 -5.106 6.879 1.00 33.45 H new ATOM 0 HB2 HIS A 20 24.528 -5.569 5.194 1.00 53.11 H new ATOM 0 HB3 HIS A 20 25.434 -7.031 4.853 1.00 53.11 H new ATOM 0 HD2 HIS A 20 22.526 -7.002 6.558 1.00 44.55 H new ATOM 0 HE1 HIS A 20 24.999 -8.268 9.763 1.00 25.52 H new ATOM 0 HE2 HIS A 20 22.604 -8.115 8.914 1.00 42.45 H new ATOM 293 N MET A 21 28.940 -5.920 5.575 1.00 1.32 N ATOM 294 CA MET A 21 30.148 -6.727 5.455 1.00 44.41 C ATOM 295 C MET A 21 30.818 -6.908 6.813 1.00 72.42 C ATOM 296 O MET A 21 31.683 -6.122 7.199 1.00 45.53 O ATOM 297 CB MET A 21 31.125 -6.077 4.474 1.00 63.41 C ATOM 298 CG MET A 21 30.796 -6.353 3.016 1.00 64.32 C ATOM 299 SD MET A 21 32.060 -5.734 1.888 1.00 11.14 S ATOM 300 CE MET A 21 32.227 -7.122 0.771 1.00 64.43 C ATOM 0 H MET A 21 29.096 -4.914 5.505 1.00 1.32 H new ATOM 0 HA MET A 21 29.863 -7.709 5.077 1.00 44.41 H new ATOM 0 HB2 MET A 21 31.130 -5.000 4.639 1.00 63.41 H new ATOM 0 HB3 MET A 21 32.132 -6.437 4.685 1.00 63.41 H new ATOM 0 HG2 MET A 21 30.680 -7.427 2.871 1.00 64.32 H new ATOM 0 HG3 MET A 21 29.839 -5.893 2.770 1.00 64.32 H new ATOM 0 HE1 MET A 21 32.976 -6.891 0.013 1.00 64.43 H new ATOM 0 HE2 MET A 21 32.537 -8.004 1.331 1.00 64.43 H new ATOM 0 HE3 MET A 21 31.270 -7.317 0.288 1.00 64.43 H new ATOM 310 N ILE A 22 30.413 -7.949 7.533 1.00 34.33 N ATOM 311 CA ILE A 22 30.975 -8.233 8.847 1.00 30.23 C ATOM 312 C ILE A 22 30.582 -9.627 9.324 1.00 11.24 C ATOM 313 O ILE A 22 29.493 -10.115 9.019 1.00 44.00 O ATOM 314 CB ILE A 22 30.517 -7.197 9.891 1.00 32.25 C ATOM 315 CG1 ILE A 22 31.310 -7.365 11.189 1.00 1.25 C ATOM 316 CG2 ILE A 22 29.025 -7.335 10.155 1.00 13.12 C ATOM 317 CD1 ILE A 22 30.626 -8.252 12.206 1.00 55.02 C ATOM 0 H ILE A 22 29.698 -8.609 7.228 1.00 34.33 H new ATOM 0 HA ILE A 22 32.059 -8.179 8.745 1.00 30.23 H new ATOM 0 HB ILE A 22 30.706 -6.198 9.497 1.00 32.25 H new ATOM 0 HG12 ILE A 22 32.289 -7.783 10.955 1.00 1.25 H new ATOM 0 HG13 ILE A 22 31.479 -6.383 11.631 1.00 1.25 H new ATOM 0 HG21 ILE A 22 28.717 -6.596 10.895 1.00 13.12 H new ATOM 0 HG22 ILE A 22 28.475 -7.172 9.228 1.00 13.12 H new ATOM 0 HG23 ILE A 22 28.813 -8.336 10.531 1.00 13.12 H new ATOM 0 HD11 ILE A 22 31.245 -8.325 13.100 1.00 55.02 H new ATOM 0 HD12 ILE A 22 29.658 -7.825 12.469 1.00 55.02 H new ATOM 0 HD13 ILE A 22 30.481 -9.246 11.783 1.00 55.02 H new ATOM 329 N SER A 23 31.474 -10.263 10.077 1.00 2.11 N ATOM 330 CA SER A 23 31.221 -11.602 10.595 1.00 63.00 C ATOM 331 C SER A 23 30.230 -11.559 11.754 1.00 3.52 C ATOM 332 O SER A 23 30.586 -11.831 12.902 1.00 72.13 O ATOM 333 CB SER A 23 32.529 -12.251 11.052 1.00 45.21 C ATOM 334 OG SER A 23 33.172 -12.917 9.978 1.00 14.32 O ATOM 0 H SER A 23 32.378 -9.872 10.342 1.00 2.11 H new ATOM 0 HA SER A 23 30.788 -12.199 9.792 1.00 63.00 H new ATOM 0 HB2 SER A 23 33.193 -11.489 11.461 1.00 45.21 H new ATOM 0 HB3 SER A 23 32.326 -12.960 11.854 1.00 45.21 H new ATOM 0 HG SER A 23 34.006 -13.322 10.296 1.00 14.32 H new ATOM 340 N LEU A 24 28.985 -11.213 11.446 1.00 23.03 N ATOM 341 CA LEU A 24 27.940 -11.133 12.462 1.00 62.33 C ATOM 342 C LEU A 24 27.229 -12.474 12.618 1.00 1.31 C ATOM 343 O LEU A 24 26.001 -12.532 12.687 1.00 1.15 O ATOM 344 CB LEU A 24 26.929 -10.046 12.095 1.00 13.54 C ATOM 345 CG LEU A 24 26.364 -9.234 13.262 1.00 64.32 C ATOM 346 CD1 LEU A 24 25.815 -10.157 14.338 1.00 4.05 C ATOM 347 CD2 LEU A 24 27.432 -8.315 13.838 1.00 33.40 C ATOM 0 H LEU A 24 28.674 -10.983 10.502 1.00 23.03 H new ATOM 0 HA LEU A 24 28.409 -10.879 13.413 1.00 62.33 H new ATOM 0 HB2 LEU A 24 27.403 -9.358 11.395 1.00 13.54 H new ATOM 0 HB3 LEU A 24 26.098 -10.514 11.568 1.00 13.54 H new ATOM 0 HG LEU A 24 25.546 -8.618 12.889 1.00 64.32 H new ATOM 0 HD11 LEU A 24 25.417 -9.562 15.160 1.00 4.05 H new ATOM 0 HD12 LEU A 24 25.020 -10.773 13.918 1.00 4.05 H new ATOM 0 HD13 LEU A 24 26.614 -10.799 14.709 1.00 4.05 H new ATOM 0 HD21 LEU A 24 27.013 -7.745 14.667 1.00 33.40 H new ATOM 0 HD22 LEU A 24 28.271 -8.912 14.195 1.00 33.40 H new ATOM 0 HD23 LEU A 24 27.778 -7.629 13.064 1.00 33.40 H new ATOM 359 N SER A 25 28.010 -13.548 12.676 1.00 54.11 N ATOM 360 CA SER A 25 27.454 -14.889 12.823 1.00 15.22 C ATOM 361 C SER A 25 26.513 -14.958 14.023 1.00 44.01 C ATOM 362 O SER A 25 26.924 -14.740 15.161 1.00 23.54 O ATOM 363 CB SER A 25 28.577 -15.914 12.982 1.00 5.10 C ATOM 364 OG SER A 25 29.515 -15.497 13.960 1.00 34.11 O ATOM 0 H SER A 25 29.028 -13.516 12.624 1.00 54.11 H new ATOM 0 HA SER A 25 26.885 -15.121 11.923 1.00 15.22 H new ATOM 0 HB2 SER A 25 28.156 -16.878 13.266 1.00 5.10 H new ATOM 0 HB3 SER A 25 29.082 -16.056 12.027 1.00 5.10 H new ATOM 0 HG SER A 25 29.055 -14.982 14.655 1.00 34.11 H new ATOM 370 N GLY A 26 25.247 -15.263 13.757 1.00 63.44 N ATOM 371 CA GLY A 26 24.267 -15.356 14.823 1.00 72.44 C ATOM 372 C GLY A 26 23.282 -14.204 14.807 1.00 65.51 C ATOM 373 O GLY A 26 23.212 -13.425 15.759 1.00 31.33 O ATOM 0 H GLY A 26 24.882 -15.447 12.822 1.00 63.44 H new ATOM 0 HA2 GLY A 26 23.723 -16.296 14.731 1.00 72.44 H new ATOM 0 HA3 GLY A 26 24.781 -15.377 15.784 1.00 72.44 H new ATOM 377 N LEU A 27 22.522 -14.093 13.724 1.00 35.01 N ATOM 378 CA LEU A 27 21.537 -13.025 13.588 1.00 51.41 C ATOM 379 C LEU A 27 20.291 -13.523 12.860 1.00 1.13 C ATOM 380 O LEU A 27 20.343 -14.503 12.116 1.00 1.13 O ATOM 381 CB LEU A 27 22.141 -11.840 12.834 1.00 4.23 C ATOM 382 CG LEU A 27 21.313 -10.556 12.826 1.00 55.52 C ATOM 383 CD1 LEU A 27 22.215 -9.336 12.920 1.00 10.22 C ATOM 384 CD2 LEU A 27 20.449 -10.486 11.575 1.00 62.01 C ATOM 0 H LEU A 27 22.568 -14.728 12.927 1.00 35.01 H new ATOM 0 HA LEU A 27 21.247 -12.702 14.588 1.00 51.41 H new ATOM 0 HB2 LEU A 27 23.115 -11.617 13.269 1.00 4.23 H new ATOM 0 HB3 LEU A 27 22.315 -12.143 11.801 1.00 4.23 H new ATOM 0 HG LEU A 27 20.658 -10.565 13.697 1.00 55.52 H new ATOM 0 HD11 LEU A 27 21.606 -8.432 12.913 1.00 10.22 H new ATOM 0 HD12 LEU A 27 22.790 -9.379 13.845 1.00 10.22 H new ATOM 0 HD13 LEU A 27 22.897 -9.321 12.070 1.00 10.22 H new ATOM 0 HD21 LEU A 27 19.866 -9.565 11.586 1.00 62.01 H new ATOM 0 HD22 LEU A 27 21.087 -10.501 10.691 1.00 62.01 H new ATOM 0 HD23 LEU A 27 19.774 -11.342 11.550 1.00 62.01 H new ATOM 396 N THR A 28 19.173 -12.839 13.078 1.00 34.54 N ATOM 397 CA THR A 28 17.914 -13.210 12.444 1.00 51.23 C ATOM 398 C THR A 28 18.065 -13.287 10.929 1.00 51.21 C ATOM 399 O THR A 28 19.091 -12.893 10.376 1.00 0.54 O ATOM 400 CB THR A 28 16.795 -12.208 12.786 1.00 63.21 C ATOM 401 OG1 THR A 28 17.055 -10.949 12.156 1.00 74.45 O ATOM 402 CG2 THR A 28 16.685 -12.014 14.291 1.00 61.22 C ATOM 0 H THR A 28 19.113 -12.025 13.689 1.00 34.54 H new ATOM 0 HA THR A 28 17.642 -14.192 12.831 1.00 51.23 H new ATOM 0 HB THR A 28 15.852 -12.610 12.417 1.00 63.21 H new ATOM 0 HG1 THR A 28 16.338 -10.318 12.377 1.00 74.45 H new ATOM 0 HG21 THR A 28 15.889 -11.302 14.509 1.00 61.22 H new ATOM 0 HG22 THR A 28 16.458 -12.969 14.765 1.00 61.22 H new ATOM 0 HG23 THR A 28 17.629 -11.632 14.679 1.00 61.22 H new ATOM 410 N SER A 29 17.034 -13.797 10.261 1.00 63.42 N ATOM 411 CA SER A 29 17.054 -13.930 8.809 1.00 14.32 C ATOM 412 C SER A 29 17.138 -12.560 8.141 1.00 63.21 C ATOM 413 O SER A 29 17.225 -11.533 8.813 1.00 32.31 O ATOM 414 CB SER A 29 15.805 -14.670 8.326 1.00 14.33 C ATOM 415 OG SER A 29 15.954 -15.099 6.984 1.00 34.43 O ATOM 0 H SER A 29 16.175 -14.125 10.703 1.00 63.42 H new ATOM 0 HA SER A 29 17.937 -14.506 8.533 1.00 14.32 H new ATOM 0 HB2 SER A 29 15.618 -15.531 8.968 1.00 14.33 H new ATOM 0 HB3 SER A 29 14.937 -14.016 8.408 1.00 14.33 H new ATOM 0 HG SER A 29 15.143 -15.571 6.699 1.00 34.43 H new ATOM 421 N SER A 30 17.112 -12.555 6.811 1.00 72.50 N ATOM 422 CA SER A 30 17.188 -11.314 6.050 1.00 44.11 C ATOM 423 C SER A 30 16.111 -11.271 4.972 1.00 61.04 C ATOM 424 O SER A 30 15.234 -12.133 4.919 1.00 44.33 O ATOM 425 CB SER A 30 18.571 -11.167 5.412 1.00 61.10 C ATOM 426 OG SER A 30 18.845 -9.814 5.093 1.00 20.33 O ATOM 0 H SER A 30 17.039 -13.397 6.239 1.00 72.50 H new ATOM 0 HA SER A 30 17.022 -10.484 6.737 1.00 44.11 H new ATOM 0 HB2 SER A 30 19.332 -11.544 6.095 1.00 61.10 H new ATOM 0 HB3 SER A 30 18.625 -11.775 4.509 1.00 61.10 H new ATOM 0 HG SER A 30 19.735 -9.747 4.688 1.00 20.33 H new ATOM 432 N VAL A 31 16.183 -10.259 4.112 1.00 43.02 N ATOM 433 CA VAL A 31 15.216 -10.103 3.033 1.00 52.14 C ATOM 434 C VAL A 31 13.818 -10.512 3.484 1.00 54.30 C ATOM 435 O VAL A 31 13.101 -11.204 2.763 1.00 61.44 O ATOM 436 CB VAL A 31 15.610 -10.936 1.799 1.00 35.51 C ATOM 437 CG1 VAL A 31 16.926 -10.443 1.220 1.00 71.03 C ATOM 438 CG2 VAL A 31 15.696 -12.413 2.160 1.00 13.42 C ATOM 0 H VAL A 31 16.901 -9.535 4.142 1.00 43.02 H new ATOM 0 HA VAL A 31 15.213 -9.047 2.762 1.00 52.14 H new ATOM 0 HB VAL A 31 14.839 -10.815 1.038 1.00 35.51 H new ATOM 0 HG11 VAL A 31 17.188 -11.044 0.349 1.00 71.03 H new ATOM 0 HG12 VAL A 31 16.825 -9.399 0.924 1.00 71.03 H new ATOM 0 HG13 VAL A 31 17.710 -10.532 1.972 1.00 71.03 H new ATOM 0 HG21 VAL A 31 15.975 -12.988 1.277 1.00 13.42 H new ATOM 0 HG22 VAL A 31 16.447 -12.554 2.938 1.00 13.42 H new ATOM 0 HG23 VAL A 31 14.727 -12.756 2.524 1.00 13.42 H new ATOM 448 N GLU A 32 13.438 -10.078 4.682 1.00 2.13 N ATOM 449 CA GLU A 32 12.125 -10.401 5.230 1.00 42.50 C ATOM 450 C GLU A 32 11.018 -9.738 4.414 1.00 24.32 C ATOM 451 O GLU A 32 9.910 -10.263 4.310 1.00 32.45 O ATOM 452 CB GLU A 32 12.035 -9.955 6.691 1.00 55.04 C ATOM 453 CG GLU A 32 12.348 -8.482 6.899 1.00 61.42 C ATOM 454 CD GLU A 32 13.340 -8.250 8.021 1.00 33.33 C ATOM 455 OE1 GLU A 32 12.981 -8.504 9.191 1.00 31.03 O ATOM 456 OE2 GLU A 32 14.473 -7.815 7.732 1.00 13.31 O ATOM 0 H GLU A 32 14.020 -9.503 5.291 1.00 2.13 H new ATOM 0 HA GLU A 32 11.993 -11.482 5.179 1.00 42.50 H new ATOM 0 HB2 GLU A 32 11.031 -10.161 7.064 1.00 55.04 H new ATOM 0 HB3 GLU A 32 12.725 -10.552 7.287 1.00 55.04 H new ATOM 0 HG2 GLU A 32 12.747 -8.065 5.974 1.00 61.42 H new ATOM 0 HG3 GLU A 32 11.425 -7.946 7.118 1.00 61.42 H new ATOM 464 N SER A 33 11.327 -8.580 3.839 1.00 44.15 N ATOM 465 CA SER A 33 10.358 -7.843 3.036 1.00 61.20 C ATOM 466 C SER A 33 11.028 -7.211 1.820 1.00 24.25 C ATOM 467 O SER A 33 10.502 -6.270 1.227 1.00 73.35 O ATOM 468 CB SER A 33 9.683 -6.761 3.881 1.00 24.15 C ATOM 469 OG SER A 33 8.959 -7.331 4.957 1.00 71.22 O ATOM 0 H SER A 33 12.240 -8.132 3.914 1.00 44.15 H new ATOM 0 HA SER A 33 9.602 -8.546 2.687 1.00 61.20 H new ATOM 0 HB2 SER A 33 10.436 -6.075 4.269 1.00 24.15 H new ATOM 0 HB3 SER A 33 9.010 -6.175 3.256 1.00 24.15 H new ATOM 0 HG SER A 33 8.539 -6.618 5.482 1.00 71.22 H new ATOM 475 N ASP A 34 12.194 -7.735 1.456 1.00 12.13 N ATOM 476 CA ASP A 34 12.937 -7.224 0.310 1.00 13.43 C ATOM 477 C ASP A 34 12.514 -7.933 -0.972 1.00 2.14 C ATOM 478 O ASP A 34 12.526 -7.344 -2.054 1.00 20.13 O ATOM 479 CB ASP A 34 14.440 -7.397 0.533 1.00 44.21 C ATOM 480 CG ASP A 34 15.247 -7.109 -0.718 1.00 61.23 C ATOM 481 OD1 ASP A 34 15.215 -5.954 -1.194 1.00 73.44 O ATOM 482 OD2 ASP A 34 15.912 -8.038 -1.221 1.00 65.33 O ATOM 0 H ASP A 34 12.644 -8.513 1.938 1.00 12.13 H new ATOM 0 HA ASP A 34 12.713 -6.162 0.206 1.00 13.43 H new ATOM 0 HB2 ASP A 34 14.765 -6.731 1.333 1.00 44.21 H new ATOM 0 HB3 ASP A 34 14.640 -8.416 0.865 1.00 44.21 H new ATOM 488 N LEU A 35 12.144 -9.202 -0.845 1.00 21.21 N ATOM 489 CA LEU A 35 11.718 -9.994 -1.994 1.00 4.30 C ATOM 490 C LEU A 35 10.509 -9.361 -2.674 1.00 35.05 C ATOM 491 O LEU A 35 10.285 -9.553 -3.869 1.00 74.22 O ATOM 492 CB LEU A 35 11.383 -11.422 -1.558 1.00 44.15 C ATOM 493 CG LEU A 35 12.463 -12.474 -1.819 1.00 12.32 C ATOM 494 CD1 LEU A 35 12.801 -12.536 -3.300 1.00 74.53 C ATOM 495 CD2 LEU A 35 13.708 -12.173 -0.998 1.00 45.52 C ATOM 0 H LEU A 35 12.130 -9.705 0.042 1.00 21.21 H new ATOM 0 HA LEU A 35 12.540 -10.022 -2.709 1.00 4.30 H new ATOM 0 HB2 LEU A 35 11.163 -11.413 -0.490 1.00 44.15 H new ATOM 0 HB3 LEU A 35 10.471 -11.732 -2.068 1.00 44.15 H new ATOM 0 HG LEU A 35 12.077 -13.447 -1.515 1.00 12.32 H new ATOM 0 HD11 LEU A 35 13.571 -13.290 -3.466 1.00 74.53 H new ATOM 0 HD12 LEU A 35 11.908 -12.799 -3.866 1.00 74.53 H new ATOM 0 HD13 LEU A 35 13.167 -11.564 -3.631 1.00 74.53 H new ATOM 0 HD21 LEU A 35 14.466 -12.931 -1.196 1.00 45.52 H new ATOM 0 HD22 LEU A 35 14.096 -11.192 -1.272 1.00 45.52 H new ATOM 0 HD23 LEU A 35 13.455 -12.180 0.062 1.00 45.52 H new ATOM 507 N ASP A 36 9.733 -8.604 -1.905 1.00 24.33 N ATOM 508 CA ASP A 36 8.548 -7.940 -2.434 1.00 14.42 C ATOM 509 C ASP A 36 8.891 -7.123 -3.676 1.00 12.31 C ATOM 510 O ASP A 36 8.081 -7.003 -4.595 1.00 21.43 O ATOM 511 CB ASP A 36 7.927 -7.033 -1.368 1.00 65.52 C ATOM 512 CG ASP A 36 7.262 -7.820 -0.256 1.00 3.54 C ATOM 513 OD1 ASP A 36 7.665 -8.980 -0.026 1.00 43.31 O ATOM 514 OD2 ASP A 36 6.340 -7.276 0.386 1.00 1.45 O ATOM 0 H ASP A 36 9.904 -8.435 -0.914 1.00 24.33 H new ATOM 0 HA ASP A 36 7.826 -8.708 -2.714 1.00 14.42 H new ATOM 0 HB2 ASP A 36 8.701 -6.393 -0.944 1.00 65.52 H new ATOM 0 HB3 ASP A 36 7.192 -6.378 -1.836 1.00 65.52 H new ATOM 520 N MET A 37 10.097 -6.563 -3.696 1.00 34.12 N ATOM 521 CA MET A 37 10.547 -5.758 -4.825 1.00 14.01 C ATOM 522 C MET A 37 10.433 -6.540 -6.129 1.00 45.13 C ATOM 523 O MET A 37 10.222 -5.961 -7.195 1.00 12.03 O ATOM 524 CB MET A 37 11.993 -5.305 -4.613 1.00 31.31 C ATOM 525 CG MET A 37 12.114 -4.004 -3.837 1.00 22.12 C ATOM 526 SD MET A 37 12.114 -4.257 -2.052 1.00 4.23 S ATOM 527 CE MET A 37 12.479 -2.601 -1.475 1.00 13.32 C ATOM 0 H MET A 37 10.779 -6.652 -2.943 1.00 34.12 H new ATOM 0 HA MET A 37 9.905 -4.879 -4.891 1.00 14.01 H new ATOM 0 HB2 MET A 37 12.536 -6.087 -4.082 1.00 31.31 H new ATOM 0 HB3 MET A 37 12.474 -5.186 -5.584 1.00 31.31 H new ATOM 0 HG2 MET A 37 13.034 -3.496 -4.128 1.00 22.12 H new ATOM 0 HG3 MET A 37 11.288 -3.346 -4.107 1.00 22.12 H new ATOM 0 HE1 MET A 37 12.513 -2.594 -0.386 1.00 13.32 H new ATOM 0 HE2 MET A 37 13.444 -2.282 -1.870 1.00 13.32 H new ATOM 0 HE3 MET A 37 11.703 -1.917 -1.818 1.00 13.32 H new ATOM 537 N GLN A 38 10.574 -7.859 -6.038 1.00 62.11 N ATOM 538 CA GLN A 38 10.487 -8.719 -7.212 1.00 5.04 C ATOM 539 C GLN A 38 9.115 -8.611 -7.867 1.00 21.24 C ATOM 540 O GLN A 38 8.972 -8.830 -9.069 1.00 73.03 O ATOM 541 CB GLN A 38 10.770 -10.172 -6.827 1.00 62.45 C ATOM 542 CG GLN A 38 11.416 -10.983 -7.939 1.00 51.53 C ATOM 543 CD GLN A 38 12.900 -10.704 -8.079 1.00 14.11 C ATOM 544 OE1 GLN A 38 13.366 -10.276 -9.134 1.00 43.22 O ATOM 545 NE2 GLN A 38 13.650 -10.944 -7.010 1.00 61.21 N ATOM 0 H GLN A 38 10.749 -8.355 -5.164 1.00 62.11 H new ATOM 0 HA GLN A 38 11.237 -8.388 -7.930 1.00 5.04 H new ATOM 0 HB2 GLN A 38 11.421 -10.187 -5.953 1.00 62.45 H new ATOM 0 HB3 GLN A 38 9.835 -10.651 -6.536 1.00 62.45 H new ATOM 0 HG2 GLN A 38 11.267 -12.045 -7.743 1.00 51.53 H new ATOM 0 HG3 GLN A 38 10.918 -10.760 -8.882 1.00 51.53 H new ATOM 0 HE21 GLN A 38 13.221 -11.299 -6.155 1.00 61.21 H new ATOM 0 HE22 GLN A 38 14.655 -10.773 -7.043 1.00 61.21 H new ATOM 554 N GLN A 39 8.108 -8.273 -7.066 1.00 44.34 N ATOM 555 CA GLN A 39 6.746 -8.137 -7.569 1.00 70.04 C ATOM 556 C GLN A 39 6.667 -7.054 -8.640 1.00 20.00 C ATOM 557 O GLN A 39 5.776 -7.071 -9.489 1.00 15.14 O ATOM 558 CB GLN A 39 5.787 -7.810 -6.424 1.00 2.13 C ATOM 559 CG GLN A 39 5.750 -8.875 -5.339 1.00 41.01 C ATOM 560 CD GLN A 39 4.902 -10.071 -5.725 1.00 44.12 C ATOM 561 OE1 GLN A 39 3.713 -10.132 -5.409 1.00 23.01 O ATOM 562 NE2 GLN A 39 5.511 -11.030 -6.412 1.00 71.41 N ATOM 0 H GLN A 39 8.210 -8.089 -6.068 1.00 44.34 H new ATOM 0 HA GLN A 39 6.454 -9.087 -8.017 1.00 70.04 H new ATOM 0 HB2 GLN A 39 6.077 -6.859 -5.978 1.00 2.13 H new ATOM 0 HB3 GLN A 39 4.783 -7.679 -6.828 1.00 2.13 H new ATOM 0 HG2 GLN A 39 6.766 -9.208 -5.127 1.00 41.01 H new ATOM 0 HG3 GLN A 39 5.359 -8.439 -4.420 1.00 41.01 H new ATOM 0 HE21 GLN A 39 6.498 -10.937 -6.652 1.00 71.41 H new ATOM 0 HE22 GLN A 39 4.992 -11.859 -6.700 1.00 71.41 H new ATOM 571 N ALA A 40 7.604 -6.113 -8.594 1.00 71.20 N ATOM 572 CA ALA A 40 7.640 -5.024 -9.561 1.00 3.41 C ATOM 573 C ALA A 40 7.847 -5.551 -10.976 1.00 31.30 C ATOM 574 O ALA A 40 7.443 -4.917 -11.950 1.00 62.45 O ATOM 575 CB ALA A 40 8.738 -4.034 -9.200 1.00 24.33 C ATOM 0 H ALA A 40 8.348 -6.083 -7.897 1.00 71.20 H new ATOM 0 HA ALA A 40 6.678 -4.512 -9.529 1.00 3.41 H new ATOM 0 HB1 ALA A 40 8.754 -3.226 -9.931 1.00 24.33 H new ATOM 0 HB2 ALA A 40 8.546 -3.623 -8.209 1.00 24.33 H new ATOM 0 HB3 ALA A 40 9.702 -4.543 -9.201 1.00 24.33 H new ATOM 581 N MET A 41 8.478 -6.716 -11.082 1.00 44.24 N ATOM 582 CA MET A 41 8.737 -7.330 -12.380 1.00 74.00 C ATOM 583 C MET A 41 7.455 -7.905 -12.974 1.00 64.42 C ATOM 584 O MET A 41 7.125 -7.645 -14.131 1.00 53.12 O ATOM 585 CB MET A 41 9.791 -8.431 -12.246 1.00 43.51 C ATOM 586 CG MET A 41 11.051 -7.981 -11.525 1.00 45.52 C ATOM 587 SD MET A 41 11.876 -6.610 -12.358 1.00 70.10 S ATOM 588 CE MET A 41 13.094 -7.489 -13.333 1.00 62.51 C ATOM 0 H MET A 41 8.819 -7.254 -10.285 1.00 44.24 H new ATOM 0 HA MET A 41 9.113 -6.558 -13.051 1.00 74.00 H new ATOM 0 HB2 MET A 41 9.357 -9.275 -11.710 1.00 43.51 H new ATOM 0 HB3 MET A 41 10.059 -8.789 -13.240 1.00 43.51 H new ATOM 0 HG2 MET A 41 10.796 -7.683 -10.508 1.00 45.52 H new ATOM 0 HG3 MET A 41 11.740 -8.822 -11.447 1.00 45.52 H new ATOM 0 HE1 MET A 41 13.685 -6.775 -13.906 1.00 62.51 H new ATOM 0 HE2 MET A 41 13.750 -8.055 -12.672 1.00 62.51 H new ATOM 0 HE3 MET A 41 12.589 -8.173 -14.015 1.00 62.51 H new ATOM 598 N LEU A 42 6.739 -8.689 -12.176 1.00 31.31 N ATOM 599 CA LEU A 42 5.494 -9.302 -12.623 1.00 60.35 C ATOM 600 C LEU A 42 4.456 -8.240 -12.970 1.00 13.41 C ATOM 601 O LEU A 42 3.526 -8.489 -13.737 1.00 5.32 O ATOM 602 CB LEU A 42 4.944 -10.235 -11.543 1.00 15.24 C ATOM 603 CG LEU A 42 5.481 -11.666 -11.554 1.00 23.00 C ATOM 604 CD1 LEU A 42 4.950 -12.427 -12.758 1.00 41.32 C ATOM 605 CD2 LEU A 42 7.003 -11.664 -11.551 1.00 23.51 C ATOM 0 H LEU A 42 6.999 -8.915 -11.216 1.00 31.31 H new ATOM 0 HA LEU A 42 5.707 -9.882 -13.521 1.00 60.35 H new ATOM 0 HB2 LEU A 42 5.158 -9.796 -10.569 1.00 15.24 H new ATOM 0 HB3 LEU A 42 3.859 -10.275 -11.644 1.00 15.24 H new ATOM 0 HG LEU A 42 5.136 -12.170 -10.651 1.00 23.00 H new ATOM 0 HD11 LEU A 42 5.343 -13.443 -12.748 1.00 41.32 H new ATOM 0 HD12 LEU A 42 3.861 -12.459 -12.717 1.00 41.32 H new ATOM 0 HD13 LEU A 42 5.264 -11.925 -13.673 1.00 41.32 H new ATOM 0 HD21 LEU A 42 7.368 -12.691 -11.559 1.00 23.51 H new ATOM 0 HD22 LEU A 42 7.368 -11.142 -12.436 1.00 23.51 H new ATOM 0 HD23 LEU A 42 7.364 -11.157 -10.656 1.00 23.51 H new ATOM 617 N THR A 43 4.623 -7.050 -12.399 1.00 43.34 N ATOM 618 CA THR A 43 3.703 -5.947 -12.648 1.00 74.05 C ATOM 619 C THR A 43 4.377 -4.838 -13.446 1.00 10.30 C ATOM 620 O THR A 43 4.201 -3.655 -13.153 1.00 60.14 O ATOM 621 CB THR A 43 3.160 -5.360 -11.331 1.00 25.51 C ATOM 622 OG1 THR A 43 2.201 -4.335 -11.610 1.00 52.34 O ATOM 623 CG2 THR A 43 4.289 -4.789 -10.487 1.00 21.11 C ATOM 0 H THR A 43 5.387 -6.826 -11.761 1.00 43.34 H new ATOM 0 HA THR A 43 2.873 -6.353 -13.226 1.00 74.05 H new ATOM 0 HB THR A 43 2.680 -6.163 -10.772 1.00 25.51 H new ATOM 0 HG1 THR A 43 2.663 -3.536 -11.940 1.00 52.34 H new ATOM 0 HG21 THR A 43 3.881 -4.380 -9.562 1.00 21.11 H new ATOM 0 HG22 THR A 43 5.002 -5.579 -10.251 1.00 21.11 H new ATOM 0 HG23 THR A 43 4.794 -3.998 -11.042 1.00 21.11 H new ATOM 631 N ASN A 44 5.148 -5.225 -14.456 1.00 70.44 N ATOM 632 CA ASN A 44 5.849 -4.262 -15.297 1.00 14.45 C ATOM 633 C ASN A 44 4.887 -3.205 -15.831 1.00 31.33 C ATOM 634 O ASN A 44 4.032 -3.494 -16.669 1.00 65.11 O ATOM 635 CB ASN A 44 6.538 -4.976 -16.461 1.00 73.03 C ATOM 636 CG ASN A 44 7.605 -4.119 -17.114 1.00 64.34 C ATOM 637 OD1 ASN A 44 7.570 -3.876 -18.321 1.00 21.23 O ATOM 638 ND2 ASN A 44 8.562 -3.657 -16.318 1.00 22.01 N ATOM 0 H ASN A 44 5.304 -6.200 -14.712 1.00 70.44 H new ATOM 0 HA ASN A 44 6.604 -3.766 -14.687 1.00 14.45 H new ATOM 0 HB2 ASN A 44 6.989 -5.901 -16.101 1.00 73.03 H new ATOM 0 HB3 ASN A 44 5.792 -5.254 -17.206 1.00 73.03 H new ATOM 0 HD21 ASN A 44 9.308 -3.076 -16.701 1.00 22.01 H new ATOM 0 HD22 ASN A 44 8.552 -3.883 -15.323 1.00 22.01 H new ATOM 645 N LYS A 45 5.032 -1.979 -15.341 1.00 22.21 N ATOM 646 CA LYS A 45 4.178 -0.877 -15.770 1.00 1.44 C ATOM 647 C LYS A 45 4.420 -0.540 -17.237 1.00 62.33 C ATOM 648 O LYS A 45 5.285 -1.130 -17.885 1.00 31.35 O ATOM 649 CB LYS A 45 4.433 0.359 -14.904 1.00 31.34 C ATOM 650 CG LYS A 45 5.559 1.240 -15.417 1.00 73.24 C ATOM 651 CD LYS A 45 6.864 0.470 -15.527 1.00 43.13 C ATOM 652 CE LYS A 45 7.385 0.059 -14.158 1.00 1.31 C ATOM 653 NZ LYS A 45 7.866 1.231 -13.373 1.00 72.02 N ATOM 0 H LYS A 45 5.733 -1.723 -14.646 1.00 22.21 H new ATOM 0 HA LYS A 45 3.140 -1.188 -15.653 1.00 1.44 H new ATOM 0 HB2 LYS A 45 3.518 0.949 -14.849 1.00 31.34 H new ATOM 0 HB3 LYS A 45 4.667 0.039 -13.889 1.00 31.34 H new ATOM 0 HG2 LYS A 45 5.290 1.644 -16.393 1.00 73.24 H new ATOM 0 HG3 LYS A 45 5.692 2.089 -14.747 1.00 73.24 H new ATOM 0 HD2 LYS A 45 6.714 -0.417 -16.142 1.00 43.13 H new ATOM 0 HD3 LYS A 45 7.609 1.085 -16.032 1.00 43.13 H new ATOM 0 HE2 LYS A 45 6.594 -0.448 -13.606 1.00 1.31 H new ATOM 0 HE3 LYS A 45 8.199 -0.656 -14.279 1.00 1.31 H new ATOM 0 HZ1 LYS A 45 8.365 0.899 -12.523 1.00 72.02 H new ATOM 0 HZ2 LYS A 45 8.515 1.797 -13.956 1.00 72.02 H new ATOM 0 HZ3 LYS A 45 7.054 1.816 -13.090 1.00 72.02 H new ATOM 667 N ASP A 46 3.651 0.410 -17.756 1.00 75.42 N ATOM 668 CA ASP A 46 3.783 0.826 -19.147 1.00 31.21 C ATOM 669 C ASP A 46 3.595 2.334 -19.284 1.00 13.42 C ATOM 670 O ASP A 46 3.403 3.037 -18.291 1.00 63.24 O ATOM 671 CB ASP A 46 2.764 0.092 -20.020 1.00 51.52 C ATOM 672 CG ASP A 46 3.167 -1.343 -20.298 1.00 11.11 C ATOM 673 OD1 ASP A 46 2.439 -2.259 -19.861 1.00 72.11 O ATOM 674 OD2 ASP A 46 4.209 -1.551 -20.952 1.00 43.42 O ATOM 0 H ASP A 46 2.929 0.907 -17.234 1.00 75.42 H new ATOM 0 HA ASP A 46 4.788 0.571 -19.482 1.00 31.21 H new ATOM 0 HB2 ASP A 46 1.792 0.104 -19.527 1.00 51.52 H new ATOM 0 HB3 ASP A 46 2.649 0.624 -20.965 1.00 51.52 H new ATOM 680 N GLU A 47 3.651 2.823 -20.518 1.00 3.32 N ATOM 681 CA GLU A 47 3.489 4.248 -20.783 1.00 4.52 C ATOM 682 C GLU A 47 2.044 4.683 -20.554 1.00 45.44 C ATOM 683 O GLU A 47 1.785 5.744 -19.984 1.00 63.30 O ATOM 684 CB GLU A 47 3.911 4.574 -22.217 1.00 43.12 C ATOM 685 CG GLU A 47 3.142 3.794 -23.270 1.00 20.30 C ATOM 686 CD GLU A 47 3.663 4.037 -24.673 1.00 42.52 C ATOM 687 OE1 GLU A 47 3.723 5.213 -25.087 1.00 43.23 O ATOM 688 OE2 GLU A 47 4.012 3.052 -25.356 1.00 74.32 O ATOM 0 H GLU A 47 3.807 2.254 -21.350 1.00 3.32 H new ATOM 0 HA GLU A 47 4.129 4.795 -20.091 1.00 4.52 H new ATOM 0 HB2 GLU A 47 3.773 5.641 -22.394 1.00 43.12 H new ATOM 0 HB3 GLU A 47 4.975 4.368 -22.329 1.00 43.12 H new ATOM 0 HG2 GLU A 47 3.202 2.729 -23.044 1.00 20.30 H new ATOM 0 HG3 GLU A 47 2.089 4.071 -23.225 1.00 20.30 H new ATOM 696 N LYS A 48 1.106 3.857 -21.004 1.00 14.03 N ATOM 697 CA LYS A 48 -0.313 4.153 -20.849 1.00 10.12 C ATOM 698 C LYS A 48 -0.741 4.017 -19.391 1.00 51.21 C ATOM 699 O LYS A 48 -1.624 4.738 -18.924 1.00 23.24 O ATOM 700 CB LYS A 48 -1.149 3.219 -21.726 1.00 20.31 C ATOM 701 CG LYS A 48 -0.846 1.746 -21.508 1.00 40.20 C ATOM 702 CD LYS A 48 0.082 1.203 -22.581 1.00 4.13 C ATOM 703 CE LYS A 48 -0.543 0.026 -23.314 1.00 61.14 C ATOM 704 NZ LYS A 48 0.486 -0.937 -23.797 1.00 52.21 N ATOM 0 H LYS A 48 1.303 2.976 -21.479 1.00 14.03 H new ATOM 0 HA LYS A 48 -0.480 5.183 -21.164 1.00 10.12 H new ATOM 0 HB2 LYS A 48 -2.206 3.397 -21.527 1.00 20.31 H new ATOM 0 HB3 LYS A 48 -0.975 3.466 -22.773 1.00 20.31 H new ATOM 0 HG2 LYS A 48 -0.390 1.609 -20.528 1.00 40.20 H new ATOM 0 HG3 LYS A 48 -1.776 1.178 -21.509 1.00 40.20 H new ATOM 0 HD2 LYS A 48 0.318 1.993 -23.294 1.00 4.13 H new ATOM 0 HD3 LYS A 48 1.023 0.892 -22.127 1.00 4.13 H new ATOM 0 HE2 LYS A 48 -1.238 -0.488 -22.650 1.00 61.14 H new ATOM 0 HE3 LYS A 48 -1.123 0.392 -24.161 1.00 61.14 H new ATOM 0 HZ1 LYS A 48 0.020 -1.724 -24.291 1.00 52.21 H new ATOM 0 HZ2 LYS A 48 1.134 -0.453 -24.451 1.00 52.21 H new ATOM 0 HZ3 LYS A 48 1.023 -1.306 -22.987 1.00 52.21 H new ATOM 718 N VAL A 49 -0.111 3.091 -18.677 1.00 62.42 N ATOM 719 CA VAL A 49 -0.424 2.863 -17.272 1.00 72.24 C ATOM 720 C VAL A 49 -0.252 4.139 -16.456 1.00 64.00 C ATOM 721 O VAL A 49 -0.915 4.332 -15.437 1.00 22.32 O ATOM 722 CB VAL A 49 0.464 1.758 -16.670 1.00 63.44 C ATOM 723 CG1 VAL A 49 0.181 1.593 -15.185 1.00 51.43 C ATOM 724 CG2 VAL A 49 0.255 0.445 -17.409 1.00 72.13 C ATOM 0 H VAL A 49 0.621 2.485 -19.049 1.00 62.42 H new ATOM 0 HA VAL A 49 -1.466 2.545 -17.228 1.00 72.24 H new ATOM 0 HB VAL A 49 1.507 2.053 -16.786 1.00 63.44 H new ATOM 0 HG11 VAL A 49 0.818 0.808 -14.778 1.00 51.43 H new ATOM 0 HG12 VAL A 49 0.387 2.531 -14.669 1.00 51.43 H new ATOM 0 HG13 VAL A 49 -0.865 1.322 -15.042 1.00 51.43 H new ATOM 0 HG21 VAL A 49 0.890 -0.325 -16.970 1.00 72.13 H new ATOM 0 HG22 VAL A 49 -0.789 0.144 -17.327 1.00 72.13 H new ATOM 0 HG23 VAL A 49 0.514 0.574 -18.460 1.00 72.13 H new ATOM 734 N LEU A 50 0.642 5.009 -16.912 1.00 62.33 N ATOM 735 CA LEU A 50 0.903 6.269 -16.225 1.00 34.04 C ATOM 736 C LEU A 50 -0.338 7.157 -16.229 1.00 0.43 C ATOM 737 O LEU A 50 -0.472 8.059 -15.400 1.00 63.43 O ATOM 738 CB LEU A 50 2.070 7.002 -16.887 1.00 3.34 C ATOM 739 CG LEU A 50 3.308 6.157 -17.189 1.00 63.54 C ATOM 740 CD1 LEU A 50 4.376 6.998 -17.871 1.00 51.43 C ATOM 741 CD2 LEU A 50 3.854 5.534 -15.913 1.00 31.01 C ATOM 0 H LEU A 50 1.198 4.865 -17.755 1.00 62.33 H new ATOM 0 HA LEU A 50 1.164 6.044 -15.191 1.00 34.04 H new ATOM 0 HB2 LEU A 50 1.716 7.439 -17.821 1.00 3.34 H new ATOM 0 HB3 LEU A 50 2.367 7.828 -16.241 1.00 3.34 H new ATOM 0 HG LEU A 50 3.018 5.354 -17.867 1.00 63.54 H new ATOM 0 HD11 LEU A 50 5.249 6.379 -18.078 1.00 51.43 H new ATOM 0 HD12 LEU A 50 3.983 7.396 -18.807 1.00 51.43 H new ATOM 0 HD13 LEU A 50 4.662 7.822 -17.218 1.00 51.43 H new ATOM 0 HD21 LEU A 50 4.735 4.936 -16.148 1.00 31.01 H new ATOM 0 HD22 LEU A 50 4.127 6.322 -15.211 1.00 31.01 H new ATOM 0 HD23 LEU A 50 3.092 4.897 -15.464 1.00 31.01 H new ATOM 753 N LYS A 51 -1.244 6.897 -17.165 1.00 24.50 N ATOM 754 CA LYS A 51 -2.475 7.669 -17.275 1.00 0.22 C ATOM 755 C LYS A 51 -3.455 7.292 -16.169 1.00 63.54 C ATOM 756 O LYS A 51 -4.231 8.125 -15.703 1.00 51.43 O ATOM 757 CB LYS A 51 -3.122 7.443 -18.643 1.00 42.53 C ATOM 758 CG LYS A 51 -2.331 8.036 -19.796 1.00 2.01 C ATOM 759 CD LYS A 51 -2.551 9.534 -19.912 1.00 13.30 C ATOM 760 CE LYS A 51 -2.378 10.015 -21.344 1.00 64.43 C ATOM 761 NZ LYS A 51 -3.578 9.723 -22.177 1.00 15.52 N ATOM 0 H LYS A 51 -1.148 6.156 -17.859 1.00 24.50 H new ATOM 0 HA LYS A 51 -2.223 8.724 -17.168 1.00 0.22 H new ATOM 0 HB2 LYS A 51 -3.240 6.372 -18.807 1.00 42.53 H new ATOM 0 HB3 LYS A 51 -4.122 7.877 -18.639 1.00 42.53 H new ATOM 0 HG2 LYS A 51 -1.270 7.833 -19.652 1.00 2.01 H new ATOM 0 HG3 LYS A 51 -2.625 7.551 -20.727 1.00 2.01 H new ATOM 0 HD2 LYS A 51 -3.553 9.784 -19.562 1.00 13.30 H new ATOM 0 HD3 LYS A 51 -1.848 10.057 -19.264 1.00 13.30 H new ATOM 0 HE2 LYS A 51 -2.187 11.088 -21.346 1.00 64.43 H new ATOM 0 HE3 LYS A 51 -1.504 9.535 -21.785 1.00 64.43 H new ATOM 0 HZ1 LYS A 51 -3.420 10.066 -23.146 1.00 15.52 H new ATOM 0 HZ2 LYS A 51 -3.746 8.697 -22.196 1.00 15.52 H new ATOM 0 HZ3 LYS A 51 -4.407 10.202 -21.771 1.00 15.52 H new ATOM 775 N ALA A 52 -3.412 6.030 -15.752 1.00 34.13 N ATOM 776 CA ALA A 52 -4.294 5.544 -14.698 1.00 14.03 C ATOM 777 C ALA A 52 -3.847 6.052 -13.331 1.00 33.11 C ATOM 778 O ALA A 52 -4.662 6.215 -12.421 1.00 43.35 O ATOM 779 CB ALA A 52 -4.341 4.024 -14.709 1.00 64.10 C ATOM 0 H ALA A 52 -2.776 5.327 -16.128 1.00 34.13 H new ATOM 0 HA ALA A 52 -5.296 5.929 -14.890 1.00 14.03 H new ATOM 0 HB1 ALA A 52 -5.003 3.675 -13.917 1.00 64.10 H new ATOM 0 HB2 ALA A 52 -4.715 3.678 -15.673 1.00 64.10 H new ATOM 0 HB3 ALA A 52 -3.339 3.628 -14.545 1.00 64.10 H new ATOM 785 N LEU A 53 -2.549 6.298 -13.192 1.00 55.10 N ATOM 786 CA LEU A 53 -1.993 6.786 -11.934 1.00 53.00 C ATOM 787 C LEU A 53 -2.297 8.269 -11.744 1.00 42.03 C ATOM 788 O LEU A 53 -2.314 8.770 -10.621 1.00 22.02 O ATOM 789 CB LEU A 53 -0.482 6.555 -11.897 1.00 65.31 C ATOM 790 CG LEU A 53 -0.022 5.104 -12.048 1.00 31.41 C ATOM 791 CD1 LEU A 53 1.485 5.039 -12.243 1.00 11.53 C ATOM 792 CD2 LEU A 53 -0.441 4.284 -10.836 1.00 62.34 C ATOM 0 H LEU A 53 -1.862 6.168 -13.934 1.00 55.10 H new ATOM 0 HA LEU A 53 -2.459 6.231 -11.120 1.00 53.00 H new ATOM 0 HB2 LEU A 53 -0.025 7.145 -12.691 1.00 65.31 H new ATOM 0 HB3 LEU A 53 -0.098 6.941 -10.952 1.00 65.31 H new ATOM 0 HG LEU A 53 -0.500 4.681 -12.932 1.00 31.41 H new ATOM 0 HD11 LEU A 53 1.794 3.999 -12.349 1.00 11.53 H new ATOM 0 HD12 LEU A 53 1.760 5.592 -13.141 1.00 11.53 H new ATOM 0 HD13 LEU A 53 1.983 5.479 -11.379 1.00 11.53 H new ATOM 0 HD21 LEU A 53 -0.106 3.254 -10.960 1.00 62.34 H new ATOM 0 HD22 LEU A 53 0.009 4.707 -9.938 1.00 62.34 H new ATOM 0 HD23 LEU A 53 -1.527 4.303 -10.741 1.00 62.34 H new ATOM 804 N GLU A 54 -2.536 8.965 -12.851 1.00 2.50 N ATOM 805 CA GLU A 54 -2.840 10.391 -12.806 1.00 21.22 C ATOM 806 C GLU A 54 -4.182 10.639 -12.122 1.00 11.51 C ATOM 807 O GLU A 54 -4.354 11.630 -11.412 1.00 50.11 O ATOM 808 CB GLU A 54 -2.859 10.976 -14.219 1.00 53.13 C ATOM 809 CG GLU A 54 -4.217 10.893 -14.895 1.00 72.14 C ATOM 810 CD GLU A 54 -5.122 12.055 -14.533 1.00 62.30 C ATOM 811 OE1 GLU A 54 -4.610 13.187 -14.408 1.00 61.32 O ATOM 812 OE2 GLU A 54 -6.341 11.831 -14.374 1.00 44.51 O ATOM 0 H GLU A 54 -2.525 8.565 -13.789 1.00 2.50 H new ATOM 0 HA GLU A 54 -2.060 10.885 -12.227 1.00 21.22 H new ATOM 0 HB2 GLU A 54 -2.548 12.020 -14.175 1.00 53.13 H new ATOM 0 HB3 GLU A 54 -2.126 10.450 -14.830 1.00 53.13 H new ATOM 0 HG2 GLU A 54 -4.079 10.868 -15.976 1.00 72.14 H new ATOM 0 HG3 GLU A 54 -4.702 9.958 -14.614 1.00 72.14 H new ATOM 820 N ARG A 55 -5.128 9.734 -12.343 1.00 70.44 N ATOM 821 CA ARG A 55 -6.455 9.855 -11.751 1.00 3.12 C ATOM 822 C ARG A 55 -6.440 9.415 -10.289 1.00 40.13 C ATOM 823 O ARG A 55 -7.136 9.987 -9.451 1.00 14.33 O ATOM 824 CB ARG A 55 -7.467 9.017 -12.537 1.00 2.44 C ATOM 825 CG ARG A 55 -8.784 8.811 -11.806 1.00 44.34 C ATOM 826 CD ARG A 55 -9.414 10.137 -11.409 1.00 3.20 C ATOM 827 NE ARG A 55 -10.789 10.254 -11.885 1.00 32.14 N ATOM 828 CZ ARG A 55 -11.533 11.343 -11.722 1.00 44.33 C ATOM 829 NH1 ARG A 55 -11.035 12.403 -11.101 1.00 73.31 N ATOM 830 NH2 ARG A 55 -12.777 11.373 -12.183 1.00 21.32 N ATOM 0 H ARG A 55 -5.001 8.908 -12.928 1.00 70.44 H new ATOM 0 HA ARG A 55 -6.751 10.903 -11.795 1.00 3.12 H new ATOM 0 HB2 ARG A 55 -7.664 9.502 -13.493 1.00 2.44 H new ATOM 0 HB3 ARG A 55 -7.027 8.044 -12.758 1.00 2.44 H new ATOM 0 HG2 ARG A 55 -9.472 8.256 -12.444 1.00 44.34 H new ATOM 0 HG3 ARG A 55 -8.616 8.205 -10.915 1.00 44.34 H new ATOM 0 HD2 ARG A 55 -9.397 10.236 -10.324 1.00 3.20 H new ATOM 0 HD3 ARG A 55 -8.820 10.956 -11.813 1.00 3.20 H new ATOM 0 HE ARG A 55 -11.201 9.456 -12.369 1.00 32.14 H new ATOM 0 HH11 ARG A 55 -10.079 12.384 -10.747 1.00 73.31 H new ATOM 0 HH12 ARG A 55 -11.608 13.238 -10.977 1.00 73.31 H new ATOM 0 HH21 ARG A 55 -13.163 10.560 -12.663 1.00 21.32 H new ATOM 0 HH22 ARG A 55 -13.347 12.209 -12.057 1.00 21.32 H new ATOM 844 N THR A 56 -5.643 8.395 -9.993 1.00 23.55 N ATOM 845 CA THR A 56 -5.538 7.877 -8.634 1.00 71.22 C ATOM 846 C THR A 56 -4.724 8.814 -7.749 1.00 40.25 C ATOM 847 O THR A 56 -5.111 9.108 -6.618 1.00 22.32 O ATOM 848 CB THR A 56 -4.891 6.479 -8.614 1.00 31.23 C ATOM 849 OG1 THR A 56 -3.496 6.580 -8.918 1.00 2.41 O ATOM 850 CG2 THR A 56 -5.567 5.555 -9.615 1.00 74.21 C ATOM 0 H THR A 56 -5.060 7.910 -10.675 1.00 23.55 H new ATOM 0 HA THR A 56 -6.553 7.805 -8.244 1.00 71.22 H new ATOM 0 HB THR A 56 -5.015 6.060 -7.615 1.00 31.23 H new ATOM 0 HG1 THR A 56 -2.971 6.233 -8.166 1.00 2.41 H new ATOM 0 HG21 THR A 56 -5.093 4.574 -9.582 1.00 74.21 H new ATOM 0 HG22 THR A 56 -6.623 5.456 -9.363 1.00 74.21 H new ATOM 0 HG23 THR A 56 -5.470 5.972 -10.618 1.00 74.21 H new ATOM 858 N ARG A 57 -3.595 9.282 -8.272 1.00 64.21 N ATOM 859 CA ARG A 57 -2.726 10.186 -7.529 1.00 23.21 C ATOM 860 C ARG A 57 -3.504 11.398 -7.027 1.00 61.31 C ATOM 861 O ARG A 57 -3.154 11.994 -6.009 1.00 3.34 O ATOM 862 CB ARG A 57 -1.560 10.643 -8.408 1.00 2.05 C ATOM 863 CG ARG A 57 -1.974 11.583 -9.529 1.00 2.12 C ATOM 864 CD ARG A 57 -0.768 12.256 -10.165 1.00 40.03 C ATOM 865 NE ARG A 57 0.110 11.293 -10.826 1.00 54.24 N ATOM 866 CZ ARG A 57 1.107 11.642 -11.632 1.00 74.35 C ATOM 867 NH1 ARG A 57 1.352 12.921 -11.875 1.00 52.51 N ATOM 868 NH2 ARG A 57 1.861 10.708 -12.197 1.00 24.41 N ATOM 0 H ARG A 57 -3.261 9.050 -9.207 1.00 64.21 H new ATOM 0 HA ARG A 57 -2.333 9.646 -6.667 1.00 23.21 H new ATOM 0 HB2 ARG A 57 -0.818 11.141 -7.783 1.00 2.05 H new ATOM 0 HB3 ARG A 57 -1.077 9.767 -8.840 1.00 2.05 H new ATOM 0 HG2 ARG A 57 -2.524 11.026 -10.288 1.00 2.12 H new ATOM 0 HG3 ARG A 57 -2.651 12.342 -9.137 1.00 2.12 H new ATOM 0 HD2 ARG A 57 -1.106 12.996 -10.890 1.00 40.03 H new ATOM 0 HD3 ARG A 57 -0.207 12.793 -9.400 1.00 40.03 H new ATOM 0 HE ARG A 57 -0.051 10.300 -10.660 1.00 54.24 H new ATOM 0 HH11 ARG A 57 0.774 13.642 -11.443 1.00 52.51 H new ATOM 0 HH12 ARG A 57 2.118 13.185 -12.494 1.00 52.51 H new ATOM 0 HH21 ARG A 57 1.675 9.722 -12.013 1.00 24.41 H new ATOM 0 HH22 ARG A 57 2.626 10.976 -12.816 1.00 24.41 H new ATOM 882 N GLN A 58 -4.562 11.756 -7.748 1.00 33.04 N ATOM 883 CA GLN A 58 -5.389 12.898 -7.375 1.00 61.22 C ATOM 884 C GLN A 58 -6.045 12.675 -6.017 1.00 65.31 C ATOM 885 O GLN A 58 -6.129 13.591 -5.199 1.00 32.24 O ATOM 886 CB GLN A 58 -6.461 13.146 -8.438 1.00 3.22 C ATOM 887 CG GLN A 58 -5.936 13.848 -9.680 1.00 3.35 C ATOM 888 CD GLN A 58 -5.544 15.288 -9.414 1.00 23.00 C ATOM 889 OE1 GLN A 58 -4.311 15.494 -8.966 1.00 61.55 O flip ATOM 890 NE2 GLN A 58 -6.341 16.207 -9.609 1.00 70.41 N flip ATOM 0 H GLN A 58 -4.866 11.272 -8.593 1.00 33.04 H new ATOM 0 HA GLN A 58 -4.745 13.775 -7.307 1.00 61.22 H new ATOM 0 HB2 GLN A 58 -6.900 12.192 -8.729 1.00 3.22 H new ATOM 0 HB3 GLN A 58 -7.261 13.745 -8.003 1.00 3.22 H new ATOM 0 HG2 GLN A 58 -5.072 13.305 -10.062 1.00 3.35 H new ATOM 0 HG3 GLN A 58 -6.699 13.821 -10.458 1.00 3.35 H new ATOM 0 HE21 GLN A 58 -7.279 16.004 -9.954 1.00 70.41 H new ATOM 0 HE22 GLN A 58 -6.063 17.171 -9.425 1.00 70.41 H new ATOM 899 N LEU A 59 -6.509 11.452 -5.783 1.00 64.50 N ATOM 900 CA LEU A 59 -7.159 11.107 -4.523 1.00 41.43 C ATOM 901 C LEU A 59 -6.146 10.568 -3.518 1.00 44.40 C ATOM 902 O LEU A 59 -6.517 9.986 -2.499 1.00 2.31 O ATOM 903 CB LEU A 59 -8.259 10.072 -4.760 1.00 22.30 C ATOM 904 CG LEU A 59 -9.194 10.344 -5.939 1.00 42.41 C ATOM 905 CD1 LEU A 59 -9.224 9.152 -6.883 1.00 42.01 C ATOM 906 CD2 LEU A 59 -10.596 10.670 -5.445 1.00 2.13 C ATOM 0 H LEU A 59 -6.447 10.682 -6.450 1.00 64.50 H new ATOM 0 HA LEU A 59 -7.604 12.013 -4.112 1.00 41.43 H new ATOM 0 HB2 LEU A 59 -7.789 9.100 -4.911 1.00 22.30 H new ATOM 0 HB3 LEU A 59 -8.861 9.997 -3.854 1.00 22.30 H new ATOM 0 HG LEU A 59 -8.814 11.206 -6.487 1.00 42.41 H new ATOM 0 HD11 LEU A 59 -9.895 9.364 -7.716 1.00 42.01 H new ATOM 0 HD12 LEU A 59 -8.220 8.964 -7.264 1.00 42.01 H new ATOM 0 HD13 LEU A 59 -9.579 8.272 -6.347 1.00 42.01 H new ATOM 0 HD21 LEU A 59 -11.247 10.861 -6.298 1.00 2.13 H new ATOM 0 HD22 LEU A 59 -10.985 9.828 -4.873 1.00 2.13 H new ATOM 0 HD23 LEU A 59 -10.561 11.555 -4.810 1.00 2.13 H new ATOM 918 N ASP A 60 -4.866 10.770 -3.810 1.00 64.25 N ATOM 919 CA ASP A 60 -3.798 10.307 -2.930 1.00 40.44 C ATOM 920 C ASP A 60 -3.794 8.784 -2.836 1.00 32.15 C ATOM 921 O ASP A 60 -4.182 8.215 -1.815 1.00 40.13 O ATOM 922 CB ASP A 60 -3.957 10.916 -1.536 1.00 51.24 C ATOM 923 CG ASP A 60 -2.718 10.736 -0.681 1.00 55.14 C ATOM 924 OD1 ASP A 60 -2.806 10.036 0.349 1.00 0.24 O ATOM 925 OD2 ASP A 60 -1.662 11.295 -1.044 1.00 24.22 O ATOM 0 H ASP A 60 -4.542 11.251 -4.649 1.00 64.25 H new ATOM 0 HA ASP A 60 -2.846 10.630 -3.352 1.00 40.44 H new ATOM 0 HB2 ASP A 60 -4.179 11.979 -1.630 1.00 51.24 H new ATOM 0 HB3 ASP A 60 -4.810 10.456 -1.037 1.00 51.24 H new ATOM 931 N ILE A 61 -3.353 8.131 -3.906 1.00 34.10 N ATOM 932 CA ILE A 61 -3.299 6.675 -3.943 1.00 73.31 C ATOM 933 C ILE A 61 -1.910 6.187 -4.340 1.00 35.44 C ATOM 934 O ILE A 61 -1.319 6.646 -5.317 1.00 60.43 O ATOM 935 CB ILE A 61 -4.334 6.097 -4.927 1.00 14.24 C ATOM 936 CG1 ILE A 61 -5.699 6.754 -4.708 1.00 20.35 C ATOM 937 CG2 ILE A 61 -4.434 4.588 -4.764 1.00 50.43 C ATOM 938 CD1 ILE A 61 -6.742 6.334 -5.721 1.00 25.15 C ATOM 0 H ILE A 61 -3.028 8.587 -4.758 1.00 34.10 H new ATOM 0 HA ILE A 61 -3.532 6.325 -2.937 1.00 73.31 H new ATOM 0 HB ILE A 61 -4.007 6.312 -5.944 1.00 14.24 H new ATOM 0 HG12 ILE A 61 -6.056 6.507 -3.708 1.00 20.35 H new ATOM 0 HG13 ILE A 61 -5.582 7.837 -4.747 1.00 20.35 H new ATOM 0 HG21 ILE A 61 -5.169 4.194 -5.466 1.00 50.43 H new ATOM 0 HG22 ILE A 61 -3.463 4.135 -4.964 1.00 50.43 H new ATOM 0 HG23 ILE A 61 -4.742 4.352 -3.745 1.00 50.43 H new ATOM 0 HD11 ILE A 61 -7.684 6.838 -5.504 1.00 25.15 H new ATOM 0 HD12 ILE A 61 -6.407 6.605 -6.722 1.00 25.15 H new ATOM 0 HD13 ILE A 61 -6.888 5.255 -5.667 1.00 25.15 H new ATOM 950 N PRO A 62 -1.375 5.232 -3.565 1.00 34.05 N ATOM 951 CA PRO A 62 -0.049 4.658 -3.817 1.00 73.10 C ATOM 952 C PRO A 62 -0.022 3.793 -5.071 1.00 60.12 C ATOM 953 O PRO A 62 -0.956 3.034 -5.335 1.00 22.14 O ATOM 954 CB PRO A 62 0.210 3.805 -2.573 1.00 32.32 C ATOM 955 CG PRO A 62 -1.146 3.460 -2.060 1.00 11.10 C ATOM 956 CD PRO A 62 -2.023 4.638 -2.383 1.00 3.32 C ATOM 0 HA PRO A 62 0.704 5.428 -3.987 1.00 73.10 H new ATOM 0 HB2 PRO A 62 0.780 2.909 -2.819 1.00 32.32 H new ATOM 0 HB3 PRO A 62 0.786 4.355 -1.829 1.00 32.32 H new ATOM 0 HG2 PRO A 62 -1.522 2.552 -2.532 1.00 11.10 H new ATOM 0 HG3 PRO A 62 -1.121 3.275 -0.986 1.00 11.10 H new ATOM 0 HD2 PRO A 62 -3.046 4.330 -2.598 1.00 3.32 H new ATOM 0 HD3 PRO A 62 -2.070 5.343 -1.553 1.00 3.32 H new ATOM 964 N ASP A 63 1.054 3.911 -5.842 1.00 71.04 N ATOM 965 CA ASP A 63 1.203 3.137 -7.069 1.00 44.31 C ATOM 966 C ASP A 63 1.372 1.653 -6.759 1.00 20.11 C ATOM 967 O ASP A 63 1.326 0.813 -7.657 1.00 34.20 O ATOM 968 CB ASP A 63 2.403 3.643 -7.873 1.00 33.12 C ATOM 969 CG ASP A 63 2.184 5.038 -8.424 1.00 74.24 C ATOM 970 OD1 ASP A 63 2.914 5.429 -9.359 1.00 32.21 O ATOM 971 OD2 ASP A 63 1.279 5.739 -7.922 1.00 25.31 O ATOM 0 H ASP A 63 1.835 4.535 -5.639 1.00 71.04 H new ATOM 0 HA ASP A 63 0.297 3.264 -7.662 1.00 44.31 H new ATOM 0 HB2 ASP A 63 3.289 3.641 -7.238 1.00 33.12 H new ATOM 0 HB3 ASP A 63 2.600 2.957 -8.697 1.00 33.12 H new ATOM 977 N GLU A 64 1.570 1.339 -5.483 1.00 33.11 N ATOM 978 CA GLU A 64 1.747 -0.043 -5.055 1.00 24.42 C ATOM 979 C GLU A 64 0.418 -0.793 -5.073 1.00 25.34 C ATOM 980 O GLU A 64 0.368 -1.985 -5.378 1.00 63.25 O ATOM 981 CB GLU A 64 2.355 -0.093 -3.652 1.00 70.02 C ATOM 982 CG GLU A 64 3.540 0.842 -3.468 1.00 75.24 C ATOM 983 CD GLU A 64 4.539 0.746 -4.605 1.00 22.13 C ATOM 984 OE1 GLU A 64 5.445 -0.110 -4.526 1.00 45.32 O ATOM 985 OE2 GLU A 64 4.416 1.527 -5.571 1.00 41.23 O ATOM 0 H GLU A 64 1.612 2.023 -4.728 1.00 33.11 H new ATOM 0 HA GLU A 64 2.428 -0.528 -5.755 1.00 24.42 H new ATOM 0 HB2 GLU A 64 1.586 0.161 -2.923 1.00 70.02 H new ATOM 0 HB3 GLU A 64 2.672 -1.114 -3.439 1.00 70.02 H new ATOM 0 HG2 GLU A 64 3.180 1.868 -3.391 1.00 75.24 H new ATOM 0 HG3 GLU A 64 4.041 0.608 -2.528 1.00 75.24 H new ATOM 993 N LYS A 65 -0.657 -0.088 -4.741 1.00 1.24 N ATOM 994 CA LYS A 65 -1.987 -0.684 -4.719 1.00 34.14 C ATOM 995 C LYS A 65 -2.719 -0.432 -6.032 1.00 42.13 C ATOM 996 O LYS A 65 -3.545 -1.239 -6.460 1.00 64.44 O ATOM 997 CB LYS A 65 -2.802 -0.119 -3.552 1.00 73.11 C ATOM 998 CG LYS A 65 -3.497 1.193 -3.875 1.00 74.33 C ATOM 999 CD LYS A 65 -4.119 1.814 -2.635 1.00 4.11 C ATOM 1000 CE LYS A 65 -5.093 0.861 -1.961 1.00 51.55 C ATOM 1001 NZ LYS A 65 -6.017 0.227 -2.943 1.00 52.50 N ATOM 0 H LYS A 65 -0.633 0.899 -4.483 1.00 1.24 H new ATOM 0 HA LYS A 65 -1.873 -1.760 -4.588 1.00 34.14 H new ATOM 0 HB2 LYS A 65 -3.550 -0.853 -3.253 1.00 73.11 H new ATOM 0 HB3 LYS A 65 -2.142 0.030 -2.697 1.00 73.11 H new ATOM 0 HG2 LYS A 65 -2.779 1.888 -4.311 1.00 74.33 H new ATOM 0 HG3 LYS A 65 -4.270 1.022 -4.624 1.00 74.33 H new ATOM 0 HD2 LYS A 65 -3.333 2.089 -1.932 1.00 4.11 H new ATOM 0 HD3 LYS A 65 -4.638 2.733 -2.909 1.00 4.11 H new ATOM 0 HE2 LYS A 65 -4.537 0.086 -1.433 1.00 51.55 H new ATOM 0 HE3 LYS A 65 -5.673 1.403 -1.214 1.00 51.55 H new ATOM 0 HZ1 LYS A 65 -6.973 0.174 -2.536 1.00 52.50 H new ATOM 0 HZ2 LYS A 65 -6.043 0.796 -3.813 1.00 52.50 H new ATOM 0 HZ3 LYS A 65 -5.682 -0.732 -3.166 1.00 52.50 H new ATOM 1015 N THR A 66 -2.411 0.693 -6.670 1.00 51.30 N ATOM 1016 CA THR A 66 -3.039 1.052 -7.935 1.00 62.44 C ATOM 1017 C THR A 66 -2.504 0.194 -9.077 1.00 15.02 C ATOM 1018 O THR A 66 -3.216 -0.085 -10.041 1.00 61.15 O ATOM 1019 CB THR A 66 -2.812 2.537 -8.275 1.00 70.43 C ATOM 1020 OG1 THR A 66 -3.304 3.362 -7.214 1.00 15.52 O ATOM 1021 CG2 THR A 66 -3.507 2.906 -9.577 1.00 13.51 C ATOM 0 H THR A 66 -1.729 1.372 -6.330 1.00 51.30 H new ATOM 0 HA THR A 66 -4.108 0.873 -7.818 1.00 62.44 H new ATOM 0 HB THR A 66 -1.741 2.701 -8.395 1.00 70.43 H new ATOM 0 HG1 THR A 66 -3.155 4.305 -7.436 1.00 15.52 H new ATOM 0 HG21 THR A 66 -3.333 3.959 -9.797 1.00 13.51 H new ATOM 0 HG22 THR A 66 -3.109 2.296 -10.388 1.00 13.51 H new ATOM 0 HG23 THR A 66 -4.578 2.728 -9.481 1.00 13.51 H new ATOM 1029 N MET A 67 -1.248 -0.222 -8.959 1.00 51.03 N ATOM 1030 CA MET A 67 -0.619 -1.051 -9.982 1.00 55.40 C ATOM 1031 C MET A 67 -1.492 -2.256 -10.318 1.00 53.12 C ATOM 1032 O MET A 67 -1.917 -2.446 -11.458 1.00 13.24 O ATOM 1033 CB MET A 67 0.759 -1.519 -9.512 1.00 24.31 C ATOM 1034 CG MET A 67 1.906 -0.692 -10.070 1.00 72.03 C ATOM 1035 SD MET A 67 2.430 -1.244 -11.704 1.00 13.31 S ATOM 1036 CE MET A 67 1.395 -0.224 -12.753 1.00 65.13 C ATOM 0 H MET A 67 -0.646 0.001 -8.167 1.00 51.03 H new ATOM 0 HA MET A 67 -0.502 -0.448 -10.882 1.00 55.40 H new ATOM 0 HB2 MET A 67 0.793 -1.484 -8.423 1.00 24.31 H new ATOM 0 HB3 MET A 67 0.898 -2.560 -9.802 1.00 24.31 H new ATOM 0 HG2 MET A 67 1.602 0.353 -10.124 1.00 72.03 H new ATOM 0 HG3 MET A 67 2.752 -0.743 -9.385 1.00 72.03 H new ATOM 0 HE1 MET A 67 1.910 -0.029 -13.693 1.00 65.13 H new ATOM 0 HE2 MET A 67 0.458 -0.743 -12.954 1.00 65.13 H new ATOM 0 HE3 MET A 67 1.187 0.721 -12.251 1.00 65.13 H new ATOM 1046 N PRO A 68 -1.766 -3.090 -9.303 1.00 45.43 N ATOM 1047 CA PRO A 68 -2.591 -4.291 -9.468 1.00 12.35 C ATOM 1048 C PRO A 68 -4.058 -3.957 -9.718 1.00 44.44 C ATOM 1049 O PRO A 68 -4.836 -4.812 -10.141 1.00 31.54 O ATOM 1050 CB PRO A 68 -2.429 -5.017 -8.131 1.00 25.04 C ATOM 1051 CG PRO A 68 -2.091 -3.944 -7.154 1.00 4.32 C ATOM 1052 CD PRO A 68 -1.292 -2.925 -7.919 1.00 1.00 C ATOM 0 HA PRO A 68 -2.283 -4.882 -10.331 1.00 12.35 H new ATOM 0 HB2 PRO A 68 -3.346 -5.535 -7.848 1.00 25.04 H new ATOM 0 HB3 PRO A 68 -1.641 -5.768 -8.182 1.00 25.04 H new ATOM 0 HG2 PRO A 68 -2.994 -3.498 -6.736 1.00 4.32 H new ATOM 0 HG3 PRO A 68 -1.516 -4.344 -6.319 1.00 4.32 H new ATOM 0 HD2 PRO A 68 -1.471 -1.915 -7.551 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -0.221 -3.109 -7.836 1.00 1.00 H new ATOM 1060 N VAL A 69 -4.428 -2.708 -9.457 1.00 0.24 N ATOM 1061 CA VAL A 69 -5.802 -2.260 -9.655 1.00 23.04 C ATOM 1062 C VAL A 69 -6.064 -1.923 -11.119 1.00 31.14 C ATOM 1063 O VAL A 69 -6.965 -2.483 -11.744 1.00 64.25 O ATOM 1064 CB VAL A 69 -6.120 -1.025 -8.791 1.00 73.13 C ATOM 1065 CG1 VAL A 69 -7.387 -0.341 -9.284 1.00 4.13 C ATOM 1066 CG2 VAL A 69 -6.253 -1.420 -7.327 1.00 53.54 C ATOM 0 H VAL A 69 -3.796 -1.988 -9.108 1.00 0.24 H new ATOM 0 HA VAL A 69 -6.450 -3.083 -9.352 1.00 23.04 H new ATOM 0 HB VAL A 69 -5.295 -0.318 -8.880 1.00 73.13 H new ATOM 0 HG11 VAL A 69 -7.596 0.529 -8.662 1.00 4.13 H new ATOM 0 HG12 VAL A 69 -7.250 -0.024 -10.318 1.00 4.13 H new ATOM 0 HG13 VAL A 69 -8.223 -1.038 -9.226 1.00 4.13 H new ATOM 0 HG21 VAL A 69 -6.478 -0.536 -6.731 1.00 53.54 H new ATOM 0 HG22 VAL A 69 -7.059 -2.146 -7.218 1.00 53.54 H new ATOM 0 HG23 VAL A 69 -5.318 -1.862 -6.983 1.00 53.54 H new ATOM 1076 N LEU A 70 -5.270 -1.006 -11.660 1.00 23.41 N ATOM 1077 CA LEU A 70 -5.415 -0.594 -13.052 1.00 23.24 C ATOM 1078 C LEU A 70 -5.269 -1.788 -13.991 1.00 32.24 C ATOM 1079 O LEU A 70 -6.031 -1.935 -14.946 1.00 41.23 O ATOM 1080 CB LEU A 70 -4.374 0.473 -13.400 1.00 35.50 C ATOM 1081 CG LEU A 70 -2.916 0.014 -13.395 1.00 35.02 C ATOM 1082 CD1 LEU A 70 -2.492 -0.432 -14.786 1.00 34.10 C ATOM 1083 CD2 LEU A 70 -2.009 1.128 -12.891 1.00 32.20 C ATOM 0 H LEU A 70 -4.519 -0.534 -11.156 1.00 23.41 H new ATOM 0 HA LEU A 70 -6.413 -0.175 -13.179 1.00 23.24 H new ATOM 0 HB2 LEU A 70 -4.606 0.870 -14.388 1.00 35.50 H new ATOM 0 HB3 LEU A 70 -4.477 1.297 -12.694 1.00 35.50 H new ATOM 0 HG LEU A 70 -2.825 -0.837 -12.720 1.00 35.02 H new ATOM 0 HD11 LEU A 70 -1.451 -0.755 -14.763 1.00 34.10 H new ATOM 0 HD12 LEU A 70 -3.122 -1.260 -15.110 1.00 34.10 H new ATOM 0 HD13 LEU A 70 -2.598 0.399 -15.483 1.00 34.10 H new ATOM 0 HD21 LEU A 70 -0.975 0.784 -12.894 1.00 32.20 H new ATOM 0 HD22 LEU A 70 -2.104 1.997 -13.542 1.00 32.20 H new ATOM 0 HD23 LEU A 70 -2.298 1.401 -11.876 1.00 32.20 H new ATOM 1095 N MET A 71 -4.287 -2.639 -13.710 1.00 52.33 N ATOM 1096 CA MET A 71 -4.045 -3.821 -14.529 1.00 33.25 C ATOM 1097 C MET A 71 -5.267 -4.734 -14.541 1.00 23.55 C ATOM 1098 O MET A 71 -5.453 -5.528 -15.462 1.00 44.04 O ATOM 1099 CB MET A 71 -2.826 -4.586 -14.008 1.00 73.34 C ATOM 1100 CG MET A 71 -3.123 -5.444 -12.789 1.00 73.35 C ATOM 1101 SD MET A 71 -1.785 -6.590 -12.403 1.00 54.24 S ATOM 1102 CE MET A 71 -0.364 -5.510 -12.545 1.00 64.21 C ATOM 0 H MET A 71 -3.647 -2.532 -12.923 1.00 52.33 H new ATOM 0 HA MET A 71 -3.850 -3.492 -15.550 1.00 33.25 H new ATOM 0 HB2 MET A 71 -2.439 -5.222 -14.804 1.00 73.34 H new ATOM 0 HB3 MET A 71 -2.040 -3.874 -13.758 1.00 73.34 H new ATOM 0 HG2 MET A 71 -3.302 -4.798 -11.930 1.00 73.35 H new ATOM 0 HG3 MET A 71 -4.040 -6.007 -12.961 1.00 73.35 H new ATOM 0 HE1 MET A 71 0.506 -5.993 -12.100 1.00 64.21 H new ATOM 0 HE2 MET A 71 -0.167 -5.304 -13.597 1.00 64.21 H new ATOM 0 HE3 MET A 71 -0.565 -4.574 -12.024 1.00 64.21 H new ATOM 1112 N LYS A 72 -6.097 -4.616 -13.509 1.00 20.50 N ATOM 1113 CA LYS A 72 -7.302 -5.431 -13.400 1.00 51.52 C ATOM 1114 C LYS A 72 -8.348 -4.993 -14.422 1.00 34.50 C ATOM 1115 O LYS A 72 -9.150 -5.803 -14.890 1.00 41.50 O ATOM 1116 CB LYS A 72 -7.882 -5.334 -11.988 1.00 72.10 C ATOM 1117 CG LYS A 72 -8.952 -6.371 -11.697 1.00 54.22 C ATOM 1118 CD LYS A 72 -8.358 -7.634 -11.099 1.00 64.54 C ATOM 1119 CE LYS A 72 -8.018 -8.655 -12.176 1.00 54.43 C ATOM 1120 NZ LYS A 72 -7.944 -10.037 -11.627 1.00 4.23 N ATOM 0 H LYS A 72 -5.957 -3.964 -12.737 1.00 20.50 H new ATOM 0 HA LYS A 72 -7.030 -6.467 -13.604 1.00 51.52 H new ATOM 0 HB2 LYS A 72 -7.074 -5.445 -11.264 1.00 72.10 H new ATOM 0 HB3 LYS A 72 -8.304 -4.339 -11.845 1.00 72.10 H new ATOM 0 HG2 LYS A 72 -9.687 -5.953 -11.009 1.00 54.22 H new ATOM 0 HG3 LYS A 72 -9.481 -6.617 -12.618 1.00 54.22 H new ATOM 0 HD2 LYS A 72 -7.458 -7.383 -10.537 1.00 64.54 H new ATOM 0 HD3 LYS A 72 -9.064 -8.070 -10.393 1.00 64.54 H new ATOM 0 HE2 LYS A 72 -8.771 -8.617 -12.963 1.00 54.43 H new ATOM 0 HE3 LYS A 72 -7.064 -8.395 -12.635 1.00 54.43 H new ATOM 0 HZ1 LYS A 72 -7.710 -10.702 -12.392 1.00 4.23 H new ATOM 0 HZ2 LYS A 72 -7.208 -10.080 -10.894 1.00 4.23 H new ATOM 0 HZ3 LYS A 72 -8.862 -10.295 -11.212 1.00 4.23 H new ATOM 1134 N LEU A 73 -8.334 -3.710 -14.763 1.00 20.11 N ATOM 1135 CA LEU A 73 -9.280 -3.165 -15.731 1.00 14.02 C ATOM 1136 C LEU A 73 -8.951 -3.642 -17.142 1.00 54.33 C ATOM 1137 O LEU A 73 -9.846 -3.980 -17.918 1.00 41.42 O ATOM 1138 CB LEU A 73 -9.269 -1.636 -15.680 1.00 64.30 C ATOM 1139 CG LEU A 73 -9.073 -1.012 -14.298 1.00 45.54 C ATOM 1140 CD1 LEU A 73 -9.253 0.496 -14.364 1.00 14.45 C ATOM 1141 CD2 LEU A 73 -10.040 -1.623 -13.294 1.00 62.23 C ATOM 0 H LEU A 73 -7.678 -3.027 -14.384 1.00 20.11 H new ATOM 0 HA LEU A 73 -10.276 -3.523 -15.470 1.00 14.02 H new ATOM 0 HB2 LEU A 73 -8.475 -1.276 -16.335 1.00 64.30 H new ATOM 0 HB3 LEU A 73 -10.211 -1.272 -16.091 1.00 64.30 H new ATOM 0 HG LEU A 73 -8.056 -1.222 -13.966 1.00 45.54 H new ATOM 0 HD11 LEU A 73 -9.110 0.923 -13.371 1.00 14.45 H new ATOM 0 HD12 LEU A 73 -8.520 0.920 -15.051 1.00 14.45 H new ATOM 0 HD13 LEU A 73 -10.258 0.727 -14.717 1.00 14.45 H new ATOM 0 HD21 LEU A 73 -9.886 -1.167 -12.316 1.00 62.23 H new ATOM 0 HD22 LEU A 73 -11.065 -1.444 -13.620 1.00 62.23 H new ATOM 0 HD23 LEU A 73 -9.863 -2.696 -13.225 1.00 62.23 H new ATOM 1153 N LEU A 74 -7.663 -3.667 -17.466 1.00 70.23 N ATOM 1154 CA LEU A 74 -7.215 -4.105 -18.784 1.00 53.14 C ATOM 1155 C LEU A 74 -7.445 -5.602 -18.968 1.00 50.23 C ATOM 1156 O LEU A 74 -7.557 -6.088 -20.093 1.00 44.24 O ATOM 1157 CB LEU A 74 -5.734 -3.778 -18.975 1.00 41.20 C ATOM 1158 CG LEU A 74 -5.386 -2.295 -19.114 1.00 30.23 C ATOM 1159 CD1 LEU A 74 -6.244 -1.644 -20.187 1.00 70.52 C ATOM 1160 CD2 LEU A 74 -5.559 -1.580 -17.782 1.00 53.30 C ATOM 0 H LEU A 74 -6.911 -3.390 -16.835 1.00 70.23 H new ATOM 0 HA LEU A 74 -7.798 -3.572 -19.535 1.00 53.14 H new ATOM 0 HB2 LEU A 74 -5.181 -4.182 -18.127 1.00 41.20 H new ATOM 0 HB3 LEU A 74 -5.379 -4.299 -19.864 1.00 41.20 H new ATOM 0 HG LEU A 74 -4.341 -2.213 -19.414 1.00 30.23 H new ATOM 0 HD11 LEU A 74 -5.982 -0.589 -20.272 1.00 70.52 H new ATOM 0 HD12 LEU A 74 -6.070 -2.139 -21.142 1.00 70.52 H new ATOM 0 HD13 LEU A 74 -7.296 -1.736 -19.917 1.00 70.52 H new ATOM 0 HD21 LEU A 74 -5.307 -0.526 -17.899 1.00 53.30 H new ATOM 0 HD22 LEU A 74 -6.594 -1.671 -17.452 1.00 53.30 H new ATOM 0 HD23 LEU A 74 -4.900 -2.030 -17.039 1.00 53.30 H new ATOM 1172 N GLU A 75 -7.518 -6.325 -17.855 1.00 71.53 N ATOM 1173 CA GLU A 75 -7.737 -7.767 -17.896 1.00 1.22 C ATOM 1174 C GLU A 75 -9.051 -8.099 -18.594 1.00 52.51 C ATOM 1175 O GLU A 75 -9.081 -8.882 -19.543 1.00 51.43 O ATOM 1176 CB GLU A 75 -7.740 -8.344 -16.478 1.00 42.21 C ATOM 1177 CG GLU A 75 -6.447 -9.049 -16.106 1.00 0.11 C ATOM 1178 CD GLU A 75 -6.351 -10.443 -16.695 1.00 43.43 C ATOM 1179 OE1 GLU A 75 -7.044 -11.350 -16.188 1.00 63.11 O ATOM 1180 OE2 GLU A 75 -5.584 -10.626 -17.663 1.00 71.32 O ATOM 0 H GLU A 75 -7.429 -5.937 -16.916 1.00 71.53 H new ATOM 0 HA GLU A 75 -6.922 -8.216 -18.463 1.00 1.22 H new ATOM 0 HB2 GLU A 75 -7.922 -7.538 -15.767 1.00 42.21 H new ATOM 0 HB3 GLU A 75 -8.568 -9.047 -16.382 1.00 42.21 H new ATOM 0 HG2 GLU A 75 -5.601 -8.454 -16.451 1.00 0.11 H new ATOM 0 HG3 GLU A 75 -6.371 -9.112 -15.020 1.00 0.11 H new ATOM 1188 N GLU A 76 -10.137 -7.496 -18.118 1.00 64.20 N ATOM 1189 CA GLU A 76 -11.455 -7.729 -18.696 1.00 43.04 C ATOM 1190 C GLU A 76 -11.625 -6.947 -19.995 1.00 50.44 C ATOM 1191 O GLU A 76 -12.330 -7.380 -20.906 1.00 31.12 O ATOM 1192 CB GLU A 76 -12.549 -7.333 -17.703 1.00 10.23 C ATOM 1193 CG GLU A 76 -12.301 -7.836 -16.292 1.00 31.24 C ATOM 1194 CD GLU A 76 -11.848 -9.283 -16.260 1.00 25.14 C ATOM 1195 OE1 GLU A 76 -10.819 -9.568 -15.611 1.00 70.00 O ATOM 1196 OE2 GLU A 76 -12.521 -10.130 -16.882 1.00 72.53 O ATOM 0 H GLU A 76 -10.129 -6.843 -17.334 1.00 64.20 H new ATOM 0 HA GLU A 76 -11.543 -8.793 -18.918 1.00 43.04 H new ATOM 0 HB2 GLU A 76 -12.633 -6.246 -17.683 1.00 10.23 H new ATOM 0 HB3 GLU A 76 -13.505 -7.721 -18.055 1.00 10.23 H new ATOM 0 HG2 GLU A 76 -11.545 -7.212 -15.815 1.00 31.24 H new ATOM 0 HG3 GLU A 76 -13.215 -7.732 -15.707 1.00 31.24 H new ATOM 1204 N ALA A 77 -10.973 -5.791 -20.073 1.00 51.25 N ATOM 1205 CA ALA A 77 -11.049 -4.949 -21.260 1.00 75.34 C ATOM 1206 C ALA A 77 -10.044 -5.395 -22.316 1.00 51.50 C ATOM 1207 O ALA A 77 -9.894 -4.753 -23.355 1.00 63.33 O ATOM 1208 CB ALA A 77 -10.818 -3.492 -20.890 1.00 22.14 C ATOM 0 H ALA A 77 -10.386 -5.417 -19.327 1.00 51.25 H new ATOM 0 HA ALA A 77 -12.049 -5.050 -21.683 1.00 75.34 H new ATOM 0 HB1 ALA A 77 -10.878 -2.875 -21.787 1.00 22.14 H new ATOM 0 HB2 ALA A 77 -11.579 -3.172 -20.178 1.00 22.14 H new ATOM 0 HB3 ALA A 77 -9.831 -3.383 -20.440 1.00 22.14 H new ATOM 1214 N GLY A 78 -9.355 -6.499 -22.043 1.00 32.50 N ATOM 1215 CA GLY A 78 -8.371 -7.011 -22.978 1.00 74.44 C ATOM 1216 C GLY A 78 -7.346 -5.967 -23.371 1.00 53.32 C ATOM 1217 O GLY A 78 -6.742 -6.051 -24.440 1.00 1.15 O ATOM 0 H GLY A 78 -9.461 -7.048 -21.190 1.00 32.50 H new ATOM 0 HA2 GLY A 78 -7.862 -7.866 -22.533 1.00 74.44 H new ATOM 0 HA3 GLY A 78 -8.878 -7.372 -23.873 1.00 74.44 H new ATOM 1221 N GLY A 79 -7.151 -4.976 -22.505 1.00 71.25 N ATOM 1222 CA GLY A 79 -6.193 -3.924 -22.786 1.00 4.22 C ATOM 1223 C GLY A 79 -6.808 -2.768 -23.550 1.00 51.30 C ATOM 1224 O GLY A 79 -6.177 -2.195 -24.437 1.00 41.14 O ATOM 0 H GLY A 79 -7.640 -4.884 -21.614 1.00 71.25 H new ATOM 0 HA2 GLY A 79 -5.777 -3.555 -21.848 1.00 4.22 H new ATOM 0 HA3 GLY A 79 -5.364 -4.336 -23.362 1.00 4.22 H new ATOM 1228 N ASN A 80 -8.045 -2.424 -23.205 1.00 31.23 N ATOM 1229 CA ASN A 80 -8.747 -1.331 -23.866 1.00 42.53 C ATOM 1230 C ASN A 80 -9.032 -0.196 -22.887 1.00 43.50 C ATOM 1231 O ASN A 80 -9.935 -0.292 -22.056 1.00 5.25 O ATOM 1232 CB ASN A 80 -10.057 -1.832 -24.476 1.00 62.44 C ATOM 1233 CG ASN A 80 -10.395 -1.131 -25.778 1.00 54.02 C ATOM 1234 OD1 ASN A 80 -10.553 0.186 -25.716 1.00 61.11 O flip ATOM 1235 ND2 ASN A 80 -10.512 -1.766 -26.826 1.00 53.10 N flip ATOM 0 H ASN A 80 -8.581 -2.887 -22.471 1.00 31.23 H new ATOM 0 HA ASN A 80 -8.106 -0.950 -24.661 1.00 42.53 H new ATOM 0 HB2 ASN A 80 -9.985 -2.905 -24.653 1.00 62.44 H new ATOM 0 HB3 ASN A 80 -10.868 -1.680 -23.764 1.00 62.44 H new ATOM 0 HD21 ASN A 80 -10.382 -2.778 -26.827 1.00 53.10 H new ATOM 0 HD22 ASN A 80 -10.739 -1.281 -27.694 1.00 53.10 H new ATOM 1242 N TRP A 81 -8.255 0.877 -22.992 1.00 22.44 N ATOM 1243 CA TRP A 81 -8.424 2.030 -22.116 1.00 13.53 C ATOM 1244 C TRP A 81 -9.592 2.897 -22.575 1.00 32.34 C ATOM 1245 O TRP A 81 -10.170 3.644 -21.785 1.00 52.32 O ATOM 1246 CB TRP A 81 -7.140 2.861 -22.079 1.00 51.14 C ATOM 1247 CG TRP A 81 -5.952 2.097 -21.579 1.00 71.24 C ATOM 1248 CD1 TRP A 81 -5.167 1.241 -22.298 1.00 4.33 C ATOM 1249 CD2 TRP A 81 -5.416 2.118 -20.251 1.00 52.13 C ATOM 1250 NE1 TRP A 81 -4.174 0.729 -21.496 1.00 72.15 N ATOM 1251 CE2 TRP A 81 -4.305 1.251 -20.237 1.00 44.43 C ATOM 1252 CE3 TRP A 81 -5.764 2.785 -19.075 1.00 53.41 C ATOM 1253 CZ2 TRP A 81 -3.544 1.037 -19.092 1.00 30.34 C ATOM 1254 CZ3 TRP A 81 -5.008 2.571 -17.939 1.00 32.35 C ATOM 1255 CH2 TRP A 81 -3.908 1.703 -17.953 1.00 43.42 C ATOM 0 H TRP A 81 -7.503 0.972 -23.674 1.00 22.44 H new ATOM 0 HA TRP A 81 -8.641 1.663 -21.113 1.00 13.53 H new ATOM 0 HB2 TRP A 81 -6.928 3.233 -23.081 1.00 51.14 H new ATOM 0 HB3 TRP A 81 -7.297 3.731 -21.442 1.00 51.14 H new ATOM 0 HD1 TRP A 81 -5.306 1.002 -23.342 1.00 4.33 H new ATOM 0 HE1 TRP A 81 -3.456 0.067 -21.791 1.00 72.15 H new ATOM 0 HE3 TRP A 81 -6.610 3.457 -19.054 1.00 53.41 H new ATOM 0 HZ2 TRP A 81 -2.696 0.369 -19.102 1.00 30.34 H new ATOM 0 HZ3 TRP A 81 -5.269 3.082 -17.024 1.00 32.35 H new ATOM 0 HH2 TRP A 81 -3.337 1.557 -17.048 1.00 43.42 H new ATOM 1266 N SER A 82 -9.934 2.790 -23.854 1.00 43.42 N ATOM 1267 CA SER A 82 -11.032 3.567 -24.419 1.00 20.01 C ATOM 1268 C SER A 82 -12.298 3.403 -23.585 1.00 40.21 C ATOM 1269 O SER A 82 -12.918 4.386 -23.176 1.00 64.00 O ATOM 1270 CB SER A 82 -11.299 3.137 -25.863 1.00 0.52 C ATOM 1271 OG SER A 82 -12.010 4.139 -26.569 1.00 43.23 O ATOM 0 H SER A 82 -9.467 2.173 -24.519 1.00 43.42 H new ATOM 0 HA SER A 82 -10.744 4.618 -24.408 1.00 20.01 H new ATOM 0 HB2 SER A 82 -10.354 2.934 -26.366 1.00 0.52 H new ATOM 0 HB3 SER A 82 -11.870 2.208 -25.870 1.00 0.52 H new ATOM 0 HG SER A 82 -12.167 3.842 -27.489 1.00 43.23 H new ATOM 1277 N TYR A 83 -12.679 2.156 -23.337 1.00 21.54 N ATOM 1278 CA TYR A 83 -13.873 1.861 -22.554 1.00 22.10 C ATOM 1279 C TYR A 83 -13.613 2.070 -21.065 1.00 61.35 C ATOM 1280 O TYR A 83 -14.445 2.628 -20.350 1.00 74.05 O ATOM 1281 CB TYR A 83 -14.332 0.424 -22.807 1.00 11.32 C ATOM 1282 CG TYR A 83 -15.200 -0.138 -21.702 1.00 45.33 C ATOM 1283 CD1 TYR A 83 -16.581 0.011 -21.734 1.00 31.22 C ATOM 1284 CD2 TYR A 83 -14.637 -0.815 -20.628 1.00 13.23 C ATOM 1285 CE1 TYR A 83 -17.377 -0.500 -20.727 1.00 31.14 C ATOM 1286 CE2 TYR A 83 -15.426 -1.330 -19.617 1.00 31.20 C ATOM 1287 CZ TYR A 83 -16.795 -1.170 -19.671 1.00 52.43 C ATOM 1288 OH TYR A 83 -17.583 -1.680 -18.665 1.00 62.35 O ATOM 0 H TYR A 83 -12.178 1.331 -23.667 1.00 21.54 H new ATOM 0 HA TYR A 83 -14.661 2.547 -22.866 1.00 22.10 H new ATOM 0 HB2 TYR A 83 -14.885 0.388 -23.746 1.00 11.32 H new ATOM 0 HB3 TYR A 83 -13.456 -0.212 -22.928 1.00 11.32 H new ATOM 0 HD1 TYR A 83 -17.040 0.535 -22.560 1.00 31.22 H new ATOM 0 HD2 TYR A 83 -13.565 -0.941 -20.582 1.00 13.23 H new ATOM 0 HE1 TYR A 83 -18.449 -0.376 -20.766 1.00 31.14 H new ATOM 0 HE2 TYR A 83 -14.973 -1.855 -18.789 1.00 31.20 H new ATOM 0 HH TYR A 83 -17.017 -2.123 -17.999 1.00 62.35 H new ATOM 1298 N ILE A 84 -12.452 1.615 -20.604 1.00 43.52 N ATOM 1299 CA ILE A 84 -12.081 1.753 -19.202 1.00 10.02 C ATOM 1300 C ILE A 84 -12.064 3.219 -18.778 1.00 75.55 C ATOM 1301 O ILE A 84 -12.252 3.540 -17.605 1.00 73.53 O ATOM 1302 CB ILE A 84 -10.698 1.135 -18.922 1.00 34.41 C ATOM 1303 CG1 ILE A 84 -10.735 -0.377 -19.156 1.00 4.32 C ATOM 1304 CG2 ILE A 84 -10.256 1.446 -17.500 1.00 55.23 C ATOM 1305 CD1 ILE A 84 -9.365 -1.017 -19.182 1.00 64.42 C ATOM 0 H ILE A 84 -11.753 1.148 -21.182 1.00 43.52 H new ATOM 0 HA ILE A 84 -12.834 1.218 -18.623 1.00 10.02 H new ATOM 0 HB ILE A 84 -9.975 1.573 -19.610 1.00 34.41 H new ATOM 0 HG12 ILE A 84 -11.330 -0.844 -18.371 1.00 4.32 H new ATOM 0 HG13 ILE A 84 -11.239 -0.578 -20.101 1.00 4.32 H new ATOM 0 HG21 ILE A 84 -9.277 1.002 -17.318 1.00 55.23 H new ATOM 0 HG22 ILE A 84 -10.196 2.526 -17.366 1.00 55.23 H new ATOM 0 HG23 ILE A 84 -10.978 1.033 -16.796 1.00 55.23 H new ATOM 0 HD11 ILE A 84 -9.467 -2.089 -19.352 1.00 64.42 H new ATOM 0 HD12 ILE A 84 -8.773 -0.577 -19.985 1.00 64.42 H new ATOM 0 HD13 ILE A 84 -8.866 -0.847 -18.228 1.00 64.42 H new ATOM 1317 N LYS A 85 -11.841 4.104 -19.742 1.00 45.43 N ATOM 1318 CA LYS A 85 -11.803 5.537 -19.472 1.00 75.54 C ATOM 1319 C LYS A 85 -13.148 6.185 -19.785 1.00 50.43 C ATOM 1320 O LYS A 85 -13.282 7.409 -19.748 1.00 55.25 O ATOM 1321 CB LYS A 85 -10.700 6.204 -20.297 1.00 53.33 C ATOM 1322 CG LYS A 85 -11.174 6.713 -21.647 1.00 3.41 C ATOM 1323 CD LYS A 85 -10.077 6.622 -22.695 1.00 1.31 C ATOM 1324 CE LYS A 85 -8.785 7.259 -22.205 1.00 42.10 C ATOM 1325 NZ LYS A 85 -8.160 8.119 -23.248 1.00 34.44 N ATOM 0 H LYS A 85 -11.684 3.855 -20.718 1.00 45.43 H new ATOM 0 HA LYS A 85 -11.590 5.676 -18.412 1.00 75.54 H new ATOM 0 HB2 LYS A 85 -10.286 7.037 -19.729 1.00 53.33 H new ATOM 0 HB3 LYS A 85 -9.891 5.490 -20.451 1.00 53.33 H new ATOM 0 HG2 LYS A 85 -12.038 6.133 -21.972 1.00 3.41 H new ATOM 0 HG3 LYS A 85 -11.502 7.748 -21.552 1.00 3.41 H new ATOM 0 HD2 LYS A 85 -9.897 5.576 -22.945 1.00 1.31 H new ATOM 0 HD3 LYS A 85 -10.404 7.117 -23.610 1.00 1.31 H new ATOM 0 HE2 LYS A 85 -8.989 7.856 -21.316 1.00 42.10 H new ATOM 0 HE3 LYS A 85 -8.084 6.478 -21.910 1.00 42.10 H new ATOM 0 HZ1 LYS A 85 -7.282 8.534 -22.875 1.00 34.44 H new ATOM 0 HZ2 LYS A 85 -7.942 7.544 -24.087 1.00 34.44 H new ATOM 0 HZ3 LYS A 85 -8.819 8.880 -23.511 1.00 34.44 H new ATOM 1339 N LEU A 86 -14.141 5.358 -20.090 1.00 73.22 N ATOM 1340 CA LEU A 86 -15.477 5.850 -20.407 1.00 51.12 C ATOM 1341 C LEU A 86 -16.085 6.584 -19.216 1.00 24.44 C ATOM 1342 O LEU A 86 -17.048 7.336 -19.362 1.00 45.33 O ATOM 1343 CB LEU A 86 -16.385 4.691 -20.823 1.00 3.22 C ATOM 1344 CG LEU A 86 -17.718 5.078 -21.464 1.00 0.11 C ATOM 1345 CD1 LEU A 86 -18.069 4.116 -22.589 1.00 71.10 C ATOM 1346 CD2 LEU A 86 -18.824 5.106 -20.420 1.00 12.13 C ATOM 0 H LEU A 86 -14.047 4.343 -20.125 1.00 73.22 H new ATOM 0 HA LEU A 86 -15.390 6.551 -21.237 1.00 51.12 H new ATOM 0 HB2 LEU A 86 -15.838 4.061 -21.524 1.00 3.22 H new ATOM 0 HB3 LEU A 86 -16.591 4.083 -19.942 1.00 3.22 H new ATOM 0 HG LEU A 86 -17.619 6.078 -21.886 1.00 0.11 H new ATOM 0 HD11 LEU A 86 -19.021 4.407 -23.033 1.00 71.10 H new ATOM 0 HD12 LEU A 86 -17.289 4.146 -23.350 1.00 71.10 H new ATOM 0 HD13 LEU A 86 -18.149 3.104 -22.191 1.00 71.10 H new ATOM 0 HD21 LEU A 86 -19.765 5.383 -20.894 1.00 12.13 H new ATOM 0 HD22 LEU A 86 -18.923 4.119 -19.968 1.00 12.13 H new ATOM 0 HD23 LEU A 86 -18.578 5.836 -19.649 1.00 12.13 H new ATOM 1358 N ASP A 87 -15.514 6.361 -18.038 1.00 32.54 N ATOM 1359 CA ASP A 87 -15.997 7.002 -16.820 1.00 3.45 C ATOM 1360 C ASP A 87 -14.834 7.543 -15.993 1.00 21.40 C ATOM 1361 O ASP A 87 -14.928 7.656 -14.772 1.00 31.14 O ATOM 1362 CB ASP A 87 -16.815 6.015 -15.988 1.00 34.54 C ATOM 1363 CG ASP A 87 -17.754 5.181 -16.836 1.00 53.01 C ATOM 1364 OD1 ASP A 87 -17.307 4.145 -17.372 1.00 60.23 O ATOM 1365 OD2 ASP A 87 -18.936 5.563 -16.964 1.00 41.32 O ATOM 0 H ASP A 87 -14.716 5.741 -17.900 1.00 32.54 H new ATOM 0 HA ASP A 87 -16.635 7.838 -17.107 1.00 3.45 H new ATOM 0 HB2 ASP A 87 -16.139 5.355 -15.444 1.00 34.54 H new ATOM 0 HB3 ASP A 87 -17.393 6.563 -15.244 1.00 34.54 H new ATOM 1371 N ASN A 88 -13.738 7.874 -16.668 1.00 11.02 N ATOM 1372 CA ASN A 88 -12.556 8.400 -15.995 1.00 5.45 C ATOM 1373 C ASN A 88 -11.927 7.343 -15.093 1.00 15.11 C ATOM 1374 O ASN A 88 -11.488 7.642 -13.981 1.00 74.34 O ATOM 1375 CB ASN A 88 -12.921 9.637 -15.173 1.00 11.41 C ATOM 1376 CG ASN A 88 -11.805 10.664 -15.146 1.00 4.23 C ATOM 1377 OD1 ASN A 88 -12.022 11.842 -15.430 1.00 41.42 O ATOM 1378 ND2 ASN A 88 -10.601 10.220 -14.803 1.00 72.03 N ATOM 0 H ASN A 88 -13.644 7.787 -17.680 1.00 11.02 H new ATOM 0 HA ASN A 88 -11.829 8.680 -16.757 1.00 5.45 H new ATOM 0 HB2 ASN A 88 -13.820 10.093 -15.587 1.00 11.41 H new ATOM 0 HB3 ASN A 88 -13.158 9.335 -14.153 1.00 11.41 H new ATOM 0 HD21 ASN A 88 -9.811 10.864 -14.767 1.00 72.03 H new ATOM 0 HD22 ASN A 88 -10.466 9.235 -14.575 1.00 72.03 H new ATOM 1385 N TYR A 89 -11.887 6.107 -15.579 1.00 4.25 N ATOM 1386 CA TYR A 89 -11.312 5.005 -14.815 1.00 54.12 C ATOM 1387 C TYR A 89 -12.077 4.788 -13.513 1.00 4.42 C ATOM 1388 O TYR A 89 -11.483 4.527 -12.466 1.00 74.01 O ATOM 1389 CB TYR A 89 -9.838 5.278 -14.516 1.00 11.02 C ATOM 1390 CG TYR A 89 -9.003 5.521 -15.753 1.00 32.44 C ATOM 1391 CD1 TYR A 89 -9.321 4.911 -16.959 1.00 61.02 C ATOM 1392 CD2 TYR A 89 -7.896 6.360 -15.714 1.00 34.03 C ATOM 1393 CE1 TYR A 89 -8.560 5.129 -18.092 1.00 54.04 C ATOM 1394 CE2 TYR A 89 -7.131 6.585 -16.842 1.00 13.31 C ATOM 1395 CZ TYR A 89 -7.467 5.968 -18.028 1.00 64.22 C ATOM 1396 OH TYR A 89 -6.707 6.189 -19.154 1.00 52.12 O ATOM 0 H TYR A 89 -12.245 5.843 -16.497 1.00 4.25 H new ATOM 0 HA TYR A 89 -11.391 4.099 -15.416 1.00 54.12 H new ATOM 0 HB2 TYR A 89 -9.764 6.147 -13.862 1.00 11.02 H new ATOM 0 HB3 TYR A 89 -9.424 4.431 -13.969 1.00 11.02 H new ATOM 0 HD1 TYR A 89 -10.177 4.255 -17.013 1.00 61.02 H new ATOM 0 HD2 TYR A 89 -7.629 6.844 -14.786 1.00 34.03 H new ATOM 0 HE1 TYR A 89 -8.820 4.645 -19.022 1.00 54.04 H new ATOM 0 HE2 TYR A 89 -6.274 7.241 -16.795 1.00 13.31 H new ATOM 0 HH TYR A 89 -6.192 5.382 -19.364 1.00 52.12 H new ATOM 1406 N THR A 90 -13.400 4.900 -13.585 1.00 10.14 N ATOM 1407 CA THR A 90 -14.247 4.718 -12.413 1.00 33.32 C ATOM 1408 C THR A 90 -13.930 3.405 -11.704 1.00 40.00 C ATOM 1409 O THR A 90 -14.053 3.303 -10.484 1.00 23.01 O ATOM 1410 CB THR A 90 -15.740 4.737 -12.790 1.00 61.55 C ATOM 1411 OG1 THR A 90 -16.130 6.057 -13.183 1.00 1.34 O ATOM 1412 CG2 THR A 90 -16.600 4.275 -11.624 1.00 65.21 C ATOM 0 H THR A 90 -13.908 5.116 -14.443 1.00 10.14 H new ATOM 0 HA THR A 90 -14.039 5.551 -11.741 1.00 33.32 H new ATOM 0 HB THR A 90 -15.889 4.051 -13.624 1.00 61.55 H new ATOM 0 HG1 THR A 90 -15.361 6.523 -13.572 1.00 1.34 H new ATOM 0 HG21 THR A 90 -17.650 4.297 -11.915 1.00 65.21 H new ATOM 0 HG22 THR A 90 -16.322 3.258 -11.347 1.00 65.21 H new ATOM 0 HG23 THR A 90 -16.445 4.938 -10.773 1.00 65.21 H new ATOM 1420 N ALA A 91 -13.523 2.404 -12.478 1.00 2.53 N ATOM 1421 CA ALA A 91 -13.186 1.099 -11.923 1.00 62.25 C ATOM 1422 C ALA A 91 -12.170 1.229 -10.794 1.00 65.34 C ATOM 1423 O ALA A 91 -12.210 0.477 -9.819 1.00 20.33 O ATOM 1424 CB ALA A 91 -12.652 0.184 -13.015 1.00 1.21 C ATOM 0 H ALA A 91 -13.419 2.472 -13.490 1.00 2.53 H new ATOM 0 HA ALA A 91 -14.094 0.661 -11.510 1.00 62.25 H new ATOM 0 HB1 ALA A 91 -12.404 -0.787 -12.587 1.00 1.21 H new ATOM 0 HB2 ALA A 91 -13.411 0.057 -13.787 1.00 1.21 H new ATOM 0 HB3 ALA A 91 -11.758 0.626 -13.455 1.00 1.21 H new ATOM 1430 N LEU A 92 -11.257 2.184 -10.932 1.00 14.22 N ATOM 1431 CA LEU A 92 -10.229 2.412 -9.922 1.00 63.04 C ATOM 1432 C LEU A 92 -10.839 2.955 -8.635 1.00 13.30 C ATOM 1433 O LEU A 92 -10.385 2.635 -7.536 1.00 61.13 O ATOM 1434 CB LEU A 92 -9.174 3.386 -10.451 1.00 72.22 C ATOM 1435 CG LEU A 92 -9.519 4.871 -10.342 1.00 41.41 C ATOM 1436 CD1 LEU A 92 -9.051 5.432 -9.008 1.00 72.21 C ATOM 1437 CD2 LEU A 92 -8.899 5.648 -11.495 1.00 43.14 C ATOM 0 H LEU A 92 -11.207 2.813 -11.733 1.00 14.22 H new ATOM 0 HA LEU A 92 -9.754 1.456 -9.701 1.00 63.04 H new ATOM 0 HB2 LEU A 92 -8.243 3.209 -9.913 1.00 72.22 H new ATOM 0 HB3 LEU A 92 -8.986 3.153 -11.499 1.00 72.22 H new ATOM 0 HG LEU A 92 -10.602 4.977 -10.398 1.00 41.41 H new ATOM 0 HD11 LEU A 92 -9.305 6.490 -8.949 1.00 72.21 H new ATOM 0 HD12 LEU A 92 -9.541 4.895 -8.196 1.00 72.21 H new ATOM 0 HD13 LEU A 92 -7.971 5.313 -8.922 1.00 72.21 H new ATOM 0 HD21 LEU A 92 -9.155 6.703 -11.402 1.00 43.14 H new ATOM 0 HD22 LEU A 92 -7.815 5.534 -11.470 1.00 43.14 H new ATOM 0 HD23 LEU A 92 -9.282 5.264 -12.440 1.00 43.14 H new ATOM 1449 N VAL A 93 -11.874 3.778 -8.778 1.00 2.40 N ATOM 1450 CA VAL A 93 -12.549 4.364 -7.627 1.00 32.43 C ATOM 1451 C VAL A 93 -13.153 3.284 -6.736 1.00 24.33 C ATOM 1452 O VAL A 93 -12.936 3.272 -5.524 1.00 30.22 O ATOM 1453 CB VAL A 93 -13.663 5.334 -8.063 1.00 45.22 C ATOM 1454 CG1 VAL A 93 -14.580 5.656 -6.893 1.00 52.12 C ATOM 1455 CG2 VAL A 93 -13.063 6.605 -8.646 1.00 23.21 C ATOM 0 H VAL A 93 -12.263 4.053 -9.680 1.00 2.40 H new ATOM 0 HA VAL A 93 -11.795 4.916 -7.066 1.00 32.43 H new ATOM 0 HB VAL A 93 -14.259 4.851 -8.838 1.00 45.22 H new ATOM 0 HG11 VAL A 93 -15.361 6.343 -7.221 1.00 52.12 H new ATOM 0 HG12 VAL A 93 -15.036 4.737 -6.525 1.00 52.12 H new ATOM 0 HG13 VAL A 93 -14.001 6.119 -6.094 1.00 52.12 H new ATOM 0 HG21 VAL A 93 -13.864 7.280 -8.949 1.00 23.21 H new ATOM 0 HG22 VAL A 93 -12.443 7.093 -7.894 1.00 23.21 H new ATOM 0 HG23 VAL A 93 -12.452 6.354 -9.513 1.00 23.21 H new ATOM 1465 N ASP A 94 -13.910 2.378 -7.343 1.00 71.45 N ATOM 1466 CA ASP A 94 -14.544 1.292 -6.605 1.00 73.15 C ATOM 1467 C ASP A 94 -13.522 0.227 -6.221 1.00 34.24 C ATOM 1468 O ASP A 94 -13.669 -0.448 -5.202 1.00 23.21 O ATOM 1469 CB ASP A 94 -15.663 0.664 -7.440 1.00 4.14 C ATOM 1470 CG ASP A 94 -16.725 0.006 -6.582 1.00 52.14 C ATOM 1471 OD1 ASP A 94 -16.831 -1.238 -6.618 1.00 44.22 O ATOM 1472 OD2 ASP A 94 -17.451 0.736 -5.875 1.00 34.41 O ATOM 0 H ASP A 94 -14.100 2.374 -8.345 1.00 71.45 H new ATOM 0 HA ASP A 94 -14.971 1.707 -5.692 1.00 73.15 H new ATOM 0 HB2 ASP A 94 -16.125 1.433 -8.060 1.00 4.14 H new ATOM 0 HB3 ASP A 94 -15.236 -0.077 -8.116 1.00 4.14 H new ATOM 1478 N ALA A 95 -12.487 0.083 -7.041 1.00 61.12 N ATOM 1479 CA ALA A 95 -11.440 -0.898 -6.786 1.00 70.52 C ATOM 1480 C ALA A 95 -10.600 -0.502 -5.576 1.00 44.14 C ATOM 1481 O ALA A 95 -10.486 -1.260 -4.613 1.00 74.35 O ATOM 1482 CB ALA A 95 -10.557 -1.060 -8.015 1.00 11.24 C ATOM 0 H ALA A 95 -12.351 0.634 -7.889 1.00 61.12 H new ATOM 0 HA ALA A 95 -11.917 -1.853 -6.567 1.00 70.52 H new ATOM 0 HB1 ALA A 95 -9.779 -1.796 -7.810 1.00 11.24 H new ATOM 0 HB2 ALA A 95 -11.163 -1.397 -8.856 1.00 11.24 H new ATOM 0 HB3 ALA A 95 -10.096 -0.103 -8.260 1.00 11.24 H new ATOM 1488 N ILE A 96 -10.012 0.688 -5.634 1.00 54.04 N ATOM 1489 CA ILE A 96 -9.183 1.183 -4.543 1.00 51.41 C ATOM 1490 C ILE A 96 -9.973 1.252 -3.239 1.00 64.03 C ATOM 1491 O ILE A 96 -9.495 0.822 -2.190 1.00 11.14 O ATOM 1492 CB ILE A 96 -8.613 2.579 -4.858 1.00 71.41 C ATOM 1493 CG1 ILE A 96 -7.715 2.519 -6.096 1.00 2.23 C ATOM 1494 CG2 ILE A 96 -7.842 3.118 -3.662 1.00 42.11 C ATOM 1495 CD1 ILE A 96 -6.470 1.682 -5.899 1.00 43.41 C ATOM 0 H ILE A 96 -10.094 1.327 -6.425 1.00 54.04 H new ATOM 0 HA ILE A 96 -8.358 0.479 -4.429 1.00 51.41 H new ATOM 0 HB ILE A 96 -9.441 3.256 -5.066 1.00 71.41 H new ATOM 0 HG12 ILE A 96 -8.287 2.114 -6.931 1.00 2.23 H new ATOM 0 HG13 ILE A 96 -7.422 3.532 -6.372 1.00 2.23 H new ATOM 0 HG21 ILE A 96 -7.445 4.105 -3.900 1.00 42.11 H new ATOM 0 HG22 ILE A 96 -8.509 3.192 -2.803 1.00 42.11 H new ATOM 0 HG23 ILE A 96 -7.019 2.443 -3.426 1.00 42.11 H new ATOM 0 HD11 ILE A 96 -5.881 1.684 -6.816 1.00 43.41 H new ATOM 0 HD12 ILE A 96 -5.876 2.099 -5.086 1.00 43.41 H new ATOM 0 HD13 ILE A 96 -6.755 0.659 -5.653 1.00 43.41 H new ATOM 1507 N TYR A 97 -11.183 1.792 -3.315 1.00 61.24 N ATOM 1508 CA TYR A 97 -12.040 1.917 -2.142 1.00 42.01 C ATOM 1509 C TYR A 97 -12.351 0.547 -1.547 1.00 53.42 C ATOM 1510 O TYR A 97 -12.538 0.411 -0.338 1.00 2.42 O ATOM 1511 CB TYR A 97 -13.340 2.635 -2.508 1.00 10.03 C ATOM 1512 CG TYR A 97 -13.244 4.142 -2.423 1.00 15.12 C ATOM 1513 CD1 TYR A 97 -12.303 4.841 -3.169 1.00 21.33 C ATOM 1514 CD2 TYR A 97 -14.094 4.866 -1.597 1.00 13.43 C ATOM 1515 CE1 TYR A 97 -12.211 6.218 -3.093 1.00 65.44 C ATOM 1516 CE2 TYR A 97 -14.011 6.242 -1.517 1.00 10.54 C ATOM 1517 CZ TYR A 97 -13.068 6.914 -2.267 1.00 5.10 C ATOM 1518 OH TYR A 97 -12.979 8.285 -2.189 1.00 33.31 O ATOM 0 H TYR A 97 -11.594 2.151 -4.177 1.00 61.24 H new ATOM 0 HA TYR A 97 -11.507 2.505 -1.395 1.00 42.01 H new ATOM 0 HB2 TYR A 97 -13.628 2.354 -3.521 1.00 10.03 H new ATOM 0 HB3 TYR A 97 -14.134 2.292 -1.845 1.00 10.03 H new ATOM 0 HD1 TYR A 97 -11.632 4.299 -3.819 1.00 21.33 H new ATOM 0 HD2 TYR A 97 -14.833 4.344 -1.007 1.00 13.43 H new ATOM 0 HE1 TYR A 97 -11.472 6.746 -3.677 1.00 65.44 H new ATOM 0 HE2 TYR A 97 -14.681 6.789 -0.871 1.00 10.54 H new ATOM 0 HH TYR A 97 -13.654 8.622 -1.564 1.00 33.31 H new ATOM 1528 N SER A 98 -12.407 -0.465 -2.407 1.00 31.33 N ATOM 1529 CA SER A 98 -12.699 -1.824 -1.968 1.00 74.45 C ATOM 1530 C SER A 98 -11.477 -2.458 -1.311 1.00 13.04 C ATOM 1531 O SER A 98 -11.542 -2.926 -0.173 1.00 43.25 O ATOM 1532 CB SER A 98 -13.156 -2.679 -3.153 1.00 4.44 C ATOM 1533 OG SER A 98 -12.880 -4.050 -2.929 1.00 25.41 O ATOM 0 H SER A 98 -12.254 -0.369 -3.411 1.00 31.33 H new ATOM 0 HA SER A 98 -13.502 -1.776 -1.232 1.00 74.45 H new ATOM 0 HB2 SER A 98 -14.225 -2.542 -3.314 1.00 4.44 H new ATOM 0 HB3 SER A 98 -12.652 -2.347 -4.061 1.00 4.44 H new ATOM 0 HG SER A 98 -13.183 -4.575 -3.699 1.00 25.41 H new ATOM 1539 N VAL A 99 -10.363 -2.470 -2.035 1.00 4.14 N ATOM 1540 CA VAL A 99 -9.124 -3.045 -1.524 1.00 33.45 C ATOM 1541 C VAL A 99 -8.640 -2.295 -0.288 1.00 12.35 C ATOM 1542 O VAL A 99 -8.404 -2.894 0.761 1.00 23.22 O ATOM 1543 CB VAL A 99 -8.014 -3.026 -2.590 1.00 13.33 C ATOM 1544 CG1 VAL A 99 -6.810 -3.828 -2.121 1.00 2.23 C ATOM 1545 CG2 VAL A 99 -8.538 -3.560 -3.914 1.00 11.11 C ATOM 0 H VAL A 99 -10.293 -2.088 -2.978 1.00 4.14 H new ATOM 0 HA VAL A 99 -9.342 -4.079 -1.257 1.00 33.45 H new ATOM 0 HB VAL A 99 -7.697 -1.994 -2.741 1.00 13.33 H new ATOM 0 HG11 VAL A 99 -6.035 -3.803 -2.887 1.00 2.23 H new ATOM 0 HG12 VAL A 99 -6.422 -3.396 -1.199 1.00 2.23 H new ATOM 0 HG13 VAL A 99 -7.109 -4.861 -1.940 1.00 2.23 H new ATOM 0 HG21 VAL A 99 -7.740 -3.539 -4.656 1.00 11.11 H new ATOM 0 HG22 VAL A 99 -8.884 -4.585 -3.782 1.00 11.11 H new ATOM 0 HG23 VAL A 99 -9.366 -2.939 -4.255 1.00 11.11 H new ATOM 1555 N GLU A 100 -8.495 -0.980 -0.418 1.00 75.13 N ATOM 1556 CA GLU A 100 -8.039 -0.148 0.688 1.00 23.02 C ATOM 1557 C GLU A 100 -8.860 -0.418 1.947 1.00 3.41 C ATOM 1558 O GLU A 100 -8.354 -0.311 3.064 1.00 15.12 O ATOM 1559 CB GLU A 100 -8.131 1.333 0.314 1.00 2.14 C ATOM 1560 CG GLU A 100 -9.522 1.919 0.487 1.00 15.34 C ATOM 1561 CD GLU A 100 -9.618 3.350 -0.008 1.00 64.53 C ATOM 1562 OE1 GLU A 100 -10.636 4.011 0.286 1.00 20.13 O ATOM 1563 OE2 GLU A 100 -8.677 3.806 -0.690 1.00 41.12 O ATOM 0 H GLU A 100 -8.687 -0.468 -1.279 1.00 75.13 H new ATOM 0 HA GLU A 100 -6.998 -0.399 0.893 1.00 23.02 H new ATOM 0 HB2 GLU A 100 -7.429 1.898 0.927 1.00 2.14 H new ATOM 0 HB3 GLU A 100 -7.820 1.457 -0.723 1.00 2.14 H new ATOM 0 HG2 GLU A 100 -10.241 1.303 -0.052 1.00 15.34 H new ATOM 0 HG3 GLU A 100 -9.799 1.884 1.541 1.00 15.34 H new ATOM 1571 N ASP A 101 -10.126 -0.768 1.755 1.00 35.14 N ATOM 1572 CA ASP A 101 -11.017 -1.054 2.874 1.00 54.35 C ATOM 1573 C ASP A 101 -10.980 -2.536 3.233 1.00 52.33 C ATOM 1574 O ASP A 101 -10.652 -3.378 2.398 1.00 25.30 O ATOM 1575 CB ASP A 101 -12.449 -0.635 2.533 1.00 40.00 C ATOM 1576 CG ASP A 101 -13.292 -0.395 3.771 1.00 41.15 C ATOM 1577 OD1 ASP A 101 -14.303 -1.106 3.946 1.00 71.31 O ATOM 1578 OD2 ASP A 101 -12.939 0.503 4.563 1.00 54.13 O ATOM 0 H ASP A 101 -10.559 -0.861 0.836 1.00 35.14 H new ATOM 0 HA ASP A 101 -10.674 -0.481 3.735 1.00 54.35 H new ATOM 0 HB2 ASP A 101 -12.425 0.274 1.931 1.00 40.00 H new ATOM 0 HB3 ASP A 101 -12.916 -1.409 1.923 1.00 40.00 H new ATOM 1584 N GLU A 102 -11.319 -2.846 4.481 1.00 60.23 N ATOM 1585 CA GLU A 102 -11.322 -4.227 4.949 1.00 13.25 C ATOM 1586 C GLU A 102 -9.991 -4.908 4.645 1.00 73.34 C ATOM 1587 O GLU A 102 -9.867 -5.640 3.664 1.00 34.45 O ATOM 1588 CB GLU A 102 -12.467 -5.007 4.300 1.00 15.35 C ATOM 1589 CG GLU A 102 -13.788 -4.257 4.295 1.00 74.24 C ATOM 1590 CD GLU A 102 -14.943 -5.114 3.814 1.00 54.54 C ATOM 1591 OE1 GLU A 102 -15.673 -4.667 2.903 1.00 41.15 O ATOM 1592 OE2 GLU A 102 -15.118 -6.229 4.347 1.00 51.12 O ATOM 0 H GLU A 102 -11.595 -2.161 5.185 1.00 60.23 H new ATOM 0 HA GLU A 102 -11.466 -4.217 6.029 1.00 13.25 H new ATOM 0 HB2 GLU A 102 -12.193 -5.251 3.273 1.00 15.35 H new ATOM 0 HB3 GLU A 102 -12.597 -5.952 4.828 1.00 15.35 H new ATOM 0 HG2 GLU A 102 -14.001 -3.898 5.302 1.00 74.24 H new ATOM 0 HG3 GLU A 102 -13.701 -3.379 3.655 1.00 74.24 H new ATOM 1600 N ASN A 103 -8.999 -4.659 5.493 1.00 65.33 N ATOM 1601 CA ASN A 103 -7.676 -5.247 5.314 1.00 31.23 C ATOM 1602 C ASN A 103 -7.501 -6.474 6.204 1.00 74.31 C ATOM 1603 O ASN A 103 -6.721 -7.375 5.893 1.00 1.12 O ATOM 1604 CB ASN A 103 -6.590 -4.216 5.630 1.00 33.34 C ATOM 1605 CG ASN A 103 -6.255 -3.344 4.435 1.00 64.45 C ATOM 1606 OD1 ASN A 103 -7.285 -2.867 3.745 1.00 41.31 O flip ATOM 1607 ND2 ASN A 103 -5.086 -3.105 4.136 1.00 3.22 N flip ATOM 0 H ASN A 103 -9.085 -4.055 6.310 1.00 65.33 H new ATOM 0 HA ASN A 103 -7.582 -5.558 4.274 1.00 31.23 H new ATOM 0 HB2 ASN A 103 -6.921 -3.585 6.455 1.00 33.34 H new ATOM 0 HB3 ASN A 103 -5.690 -4.732 5.964 1.00 33.34 H new ATOM 0 HD21 ASN A 103 -4.327 -3.493 4.696 1.00 3.22 H new ATOM 0 HD22 ASN A 103 -4.876 -2.518 3.328 1.00 3.22 H new ATOM 1614 N LYS A 104 -8.234 -6.504 7.312 1.00 31.41 N ATOM 1615 CA LYS A 104 -8.163 -7.620 8.247 1.00 60.45 C ATOM 1616 C LYS A 104 -8.737 -8.889 7.624 1.00 62.43 C ATOM 1617 O LYS A 104 -8.350 -9.999 7.987 1.00 20.53 O ATOM 1618 CB LYS A 104 -8.920 -7.284 9.534 1.00 53.03 C ATOM 1619 CG LYS A 104 -10.337 -6.793 9.295 1.00 53.11 C ATOM 1620 CD LYS A 104 -11.212 -6.996 10.521 1.00 64.34 C ATOM 1621 CE LYS A 104 -12.341 -5.978 10.575 1.00 1.24 C ATOM 1622 NZ LYS A 104 -13.562 -6.467 9.879 1.00 55.31 N ATOM 0 H LYS A 104 -8.885 -5.767 7.584 1.00 31.41 H new ATOM 0 HA LYS A 104 -7.114 -7.795 8.485 1.00 60.45 H new ATOM 0 HB2 LYS A 104 -8.953 -8.170 10.168 1.00 53.03 H new ATOM 0 HB3 LYS A 104 -8.367 -6.521 10.082 1.00 53.03 H new ATOM 0 HG2 LYS A 104 -10.317 -5.735 9.032 1.00 53.11 H new ATOM 0 HG3 LYS A 104 -10.769 -7.324 8.447 1.00 53.11 H new ATOM 0 HD2 LYS A 104 -11.629 -8.003 10.509 1.00 64.34 H new ATOM 0 HD3 LYS A 104 -10.603 -6.914 11.421 1.00 64.34 H new ATOM 0 HE2 LYS A 104 -12.580 -5.756 11.615 1.00 1.24 H new ATOM 0 HE3 LYS A 104 -12.011 -5.045 10.118 1.00 1.24 H new ATOM 0 HZ1 LYS A 104 -14.334 -5.783 10.010 1.00 55.31 H new ATOM 0 HZ2 LYS A 104 -13.363 -6.574 8.864 1.00 55.31 H new ATOM 0 HZ3 LYS A 104 -13.843 -7.386 10.276 1.00 55.31 H new ATOM 1636 N GLN A 105 -9.661 -8.715 6.684 1.00 60.11 N ATOM 1637 CA GLN A 105 -10.287 -9.847 6.011 1.00 20.01 C ATOM 1638 C GLN A 105 -9.585 -10.152 4.692 1.00 50.42 C ATOM 1639 O GLN A 105 -10.230 -10.481 3.695 1.00 22.45 O ATOM 1640 CB GLN A 105 -11.769 -9.562 5.761 1.00 61.44 C ATOM 1641 CG GLN A 105 -12.571 -9.353 7.034 1.00 15.14 C ATOM 1642 CD GLN A 105 -13.609 -8.256 6.897 1.00 44.24 C ATOM 1643 OE1 GLN A 105 -13.167 -7.008 6.991 1.00 32.42 O flip ATOM 1644 NE2 GLN A 105 -14.795 -8.528 6.706 1.00 3.11 N flip ATOM 0 H GLN A 105 -9.992 -7.802 6.372 1.00 60.11 H new ATOM 0 HA GLN A 105 -10.197 -10.719 6.659 1.00 20.01 H new ATOM 0 HB2 GLN A 105 -11.859 -8.674 5.135 1.00 61.44 H new ATOM 0 HB3 GLN A 105 -12.201 -10.392 5.202 1.00 61.44 H new ATOM 0 HG2 GLN A 105 -13.067 -10.285 7.304 1.00 15.14 H new ATOM 0 HG3 GLN A 105 -11.892 -9.106 7.850 1.00 15.14 H new ATOM 0 HE21 GLN A 105 -15.091 -9.502 6.640 1.00 3.11 H new ATOM 0 HE22 GLN A 105 -15.481 -7.779 6.613 1.00 3.11 H new ATOM 1653 N SER A 106 -8.261 -10.038 4.690 1.00 14.54 N ATOM 1654 CA SER A 106 -7.472 -10.297 3.492 1.00 5.21 C ATOM 1655 C SER A 106 -5.981 -10.140 3.779 1.00 51.25 C ATOM 1656 O SER A 106 -5.590 -9.492 4.748 1.00 62.12 O ATOM 1657 CB SER A 106 -7.889 -9.348 2.367 1.00 42.31 C ATOM 1658 OG SER A 106 -6.950 -9.371 1.306 1.00 24.22 O ATOM 0 H SER A 106 -7.712 -9.768 5.506 1.00 14.54 H new ATOM 0 HA SER A 106 -7.658 -11.324 3.179 1.00 5.21 H new ATOM 0 HB2 SER A 106 -8.872 -9.633 1.993 1.00 42.31 H new ATOM 0 HB3 SER A 106 -7.977 -8.334 2.757 1.00 42.31 H new ATOM 0 HG SER A 106 -7.240 -8.758 0.599 1.00 24.22 H new ATOM 1664 N GLU A 107 -5.156 -10.739 2.927 1.00 62.42 N ATOM 1665 CA GLU A 107 -3.708 -10.668 3.089 1.00 41.34 C ATOM 1666 C GLU A 107 -3.190 -9.276 2.739 1.00 44.42 C ATOM 1667 O GLU A 107 -2.658 -8.567 3.592 1.00 40.41 O ATOM 1668 CB GLU A 107 -3.022 -11.715 2.209 1.00 12.24 C ATOM 1669 CG GLU A 107 -1.571 -11.968 2.583 1.00 1.30 C ATOM 1670 CD GLU A 107 -0.651 -10.845 2.143 1.00 55.04 C ATOM 1671 OE1 GLU A 107 -0.883 -10.283 1.052 1.00 51.13 O ATOM 1672 OE2 GLU A 107 0.300 -10.530 2.888 1.00 73.33 O ATOM 0 H GLU A 107 -5.464 -11.278 2.118 1.00 62.42 H new ATOM 0 HA GLU A 107 -3.474 -10.873 4.134 1.00 41.34 H new ATOM 0 HB2 GLU A 107 -3.574 -12.652 2.276 1.00 12.24 H new ATOM 0 HB3 GLU A 107 -3.069 -11.391 1.169 1.00 12.24 H new ATOM 0 HG2 GLU A 107 -1.495 -12.093 3.663 1.00 1.30 H new ATOM 0 HG3 GLU A 107 -1.240 -12.902 2.130 1.00 1.30 H new ATOM 1680 N GLY A 108 -3.349 -8.891 1.476 1.00 55.31 N ATOM 1681 CA GLY A 108 -2.892 -7.586 1.034 1.00 14.11 C ATOM 1682 C GLY A 108 -2.862 -7.463 -0.476 1.00 41.41 C ATOM 1683 O GLY A 108 -3.607 -8.149 -1.177 1.00 32.21 O ATOM 0 H GLY A 108 -3.786 -9.460 0.751 1.00 55.31 H new ATOM 0 HA2 GLY A 108 -3.546 -6.817 1.445 1.00 14.11 H new ATOM 0 HA3 GLY A 108 -1.894 -7.401 1.430 1.00 14.11 H new ATOM 1687 N SER A 109 -2.001 -6.584 -0.980 1.00 24.33 N ATOM 1688 CA SER A 109 -1.881 -6.370 -2.417 1.00 14.51 C ATOM 1689 C SER A 109 -0.924 -7.381 -3.040 1.00 73.22 C ATOM 1690 O SER A 109 -0.064 -7.939 -2.359 1.00 15.41 O ATOM 1691 CB SER A 109 -1.393 -4.947 -2.702 1.00 74.21 C ATOM 1692 OG SER A 109 0.021 -4.889 -2.729 1.00 24.23 O ATOM 0 H SER A 109 -1.377 -6.009 -0.414 1.00 24.33 H new ATOM 0 HA SER A 109 -2.866 -6.507 -2.863 1.00 14.51 H new ATOM 0 HB2 SER A 109 -1.792 -4.607 -3.657 1.00 74.21 H new ATOM 0 HB3 SER A 109 -1.773 -4.269 -1.938 1.00 74.21 H new ATOM 0 HG SER A 109 0.307 -3.970 -2.914 1.00 24.23 H new TER 1698 SER A 109