USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot 72:sc= 0.441 USER MOD Set 2.2: A 10 HIS :FLIP no HD1:sc= 0.396 F(o=0,f=0.84) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.0109 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.114 K(o=0.11,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.27) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.0082) USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= 1.24 (180deg=-0.605) USER MOD Single : A 17 MET CE :methyl 152:sc= 0 (180deg=-1.2) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.0145 (180deg=-0.15) USER MOD Single : A 23 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.058) USER MOD Single : A 24 SER OG : rot 32:sc= 0.13 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.0267 (180deg=-0.23) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0404) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.05 X(o=-1.1,f=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.00912 K(o=0.0091,f=-1.2) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 55 MET CE :methyl -152:sc= -1.13 (180deg=-2.62!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.84! C(o=-1.8!,f=-3.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.04 USER MOD Single : A 67 GLN : amide:sc= -0.0108 X(o=-0.011,f=0.34) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 63:sc= 0.697 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.07! C(o=-4.1!,f=-12!) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.781 (180deg=-1.76!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.24 K(o=-1.2,f=-8!) USER MOD Single : A 99 THR OG1 : rot -93:sc= 0.54 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.586 USER MOD Single : A 102 ASN : amide:sc= -0.207 K(o=-0.21,f=-4.8!) USER MOD Single : A 103 THR OG1 : rot 120:sc= -0.774 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 113 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.701 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 34.388 -4.813 3.542 1.00 44.31 N ATOM 2 CA MET A 1 34.835 -4.304 2.216 1.00 54.44 C ATOM 3 C MET A 1 35.150 -5.479 1.269 1.00 31.45 C ATOM 4 O MET A 1 35.153 -6.637 1.689 1.00 13.25 O ATOM 5 CB MET A 1 36.070 -3.393 2.390 1.00 74.04 C ATOM 6 CG MET A 1 35.986 -2.069 1.633 1.00 51.43 C ATOM 7 SD MET A 1 35.848 -2.294 -0.152 1.00 64.25 S ATOM 8 CE MET A 1 35.736 -0.592 -0.706 1.00 31.42 C ATOM 0 H1 MET A 1 33.690 -4.158 3.948 1.00 44.31 H new ATOM 0 H2 MET A 1 33.955 -5.751 3.426 1.00 44.31 H new ATOM 0 H3 MET A 1 35.206 -4.886 4.180 1.00 44.31 H new ATOM 0 HA MET A 1 34.031 -3.717 1.772 1.00 54.44 H new ATOM 0 HB2 MET A 1 36.206 -3.183 3.451 1.00 74.04 H new ATOM 0 HB3 MET A 1 36.956 -3.934 2.056 1.00 74.04 H new ATOM 0 HG2 MET A 1 35.125 -1.504 1.991 1.00 51.43 H new ATOM 0 HG3 MET A 1 36.872 -1.473 1.852 1.00 51.43 H new ATOM 0 HE1 MET A 1 35.646 -0.568 -1.792 1.00 31.42 H new ATOM 0 HE2 MET A 1 34.861 -0.121 -0.259 1.00 31.42 H new ATOM 0 HE3 MET A 1 36.633 -0.051 -0.404 1.00 31.42 H new ATOM 20 N GLY A 2 35.434 -5.177 0.003 1.00 74.13 N ATOM 21 CA GLY A 2 35.630 -6.218 -1.010 1.00 72.54 C ATOM 22 C GLY A 2 36.993 -6.923 -0.963 1.00 13.55 C ATOM 23 O GLY A 2 37.570 -7.230 -2.008 1.00 35.23 O ATOM 0 H GLY A 2 35.534 -4.224 -0.347 1.00 74.13 H new ATOM 0 HA2 GLY A 2 34.847 -6.967 -0.895 1.00 72.54 H new ATOM 0 HA3 GLY A 2 35.503 -5.772 -1.996 1.00 72.54 H new ATOM 27 N HIS A 3 37.505 -7.188 0.241 1.00 33.21 N ATOM 28 CA HIS A 3 38.729 -7.986 0.423 1.00 70.45 C ATOM 29 C HIS A 3 38.471 -9.134 1.410 1.00 13.13 C ATOM 30 O HIS A 3 37.810 -8.940 2.434 1.00 31.40 O ATOM 31 CB HIS A 3 39.887 -7.123 0.940 1.00 64.34 C ATOM 32 CG HIS A 3 40.338 -6.051 -0.006 1.00 71.11 C ATOM 33 ND1 HIS A 3 40.922 -4.880 0.420 1.00 71.31 N ATOM 34 CD2 HIS A 3 40.323 -5.987 -1.359 1.00 34.41 C ATOM 35 CE1 HIS A 3 41.240 -4.142 -0.621 1.00 12.11 C ATOM 36 NE2 HIS A 3 40.889 -4.787 -1.715 1.00 53.11 N ATOM 0 H HIS A 3 37.090 -6.861 1.113 1.00 33.21 H new ATOM 0 HA HIS A 3 39.007 -8.392 -0.550 1.00 70.45 H new ATOM 0 HB2 HIS A 3 39.585 -6.658 1.878 1.00 64.34 H new ATOM 0 HB3 HIS A 3 40.734 -7.771 1.164 1.00 64.34 H new ATOM 0 HD2 HIS A 3 39.938 -6.739 -2.032 1.00 34.41 H new ATOM 0 HE1 HIS A 3 41.710 -3.170 -0.585 1.00 12.11 H new ATOM 0 HE2 HIS A 3 41.017 -4.451 -2.669 1.00 53.11 H new ATOM 45 N HIS A 4 38.993 -10.324 1.100 1.00 63.13 N ATOM 46 CA HIS A 4 38.756 -11.527 1.919 1.00 22.12 C ATOM 47 C HIS A 4 37.248 -11.829 2.049 1.00 2.15 C ATOM 48 O HIS A 4 36.816 -12.541 2.959 1.00 12.12 O ATOM 49 CB HIS A 4 39.384 -11.362 3.312 1.00 25.14 C ATOM 50 CG HIS A 4 40.850 -11.049 3.280 1.00 21.22 C ATOM 51 ND1 HIS A 4 41.828 -12.018 3.215 1.00 13.53 N ATOM 52 CD2 HIS A 4 41.506 -9.863 3.292 1.00 21.30 C ATOM 53 CE1 HIS A 4 43.012 -11.445 3.189 1.00 20.31 C ATOM 54 NE2 HIS A 4 42.849 -10.138 3.234 1.00 5.53 N ATOM 0 H HIS A 4 39.585 -10.485 0.285 1.00 63.13 H new ATOM 0 HA HIS A 4 39.228 -12.370 1.415 1.00 22.12 H new ATOM 0 HB2 HIS A 4 38.863 -10.565 3.843 1.00 25.14 H new ATOM 0 HB3 HIS A 4 39.230 -12.279 3.881 1.00 25.14 H new ATOM 0 HD2 HIS A 4 41.055 -8.883 3.339 1.00 21.30 H new ATOM 0 HE1 HIS A 4 43.960 -11.960 3.139 1.00 20.31 H new ATOM 0 HE2 HIS A 4 43.598 -9.445 3.227 1.00 5.53 H new ATOM 63 N HIS A 5 36.463 -11.299 1.111 1.00 60.41 N ATOM 64 CA HIS A 5 35.002 -11.432 1.134 1.00 44.05 C ATOM 65 C HIS A 5 34.558 -12.868 0.814 1.00 72.21 C ATOM 66 O HIS A 5 34.710 -13.341 -0.312 1.00 33.52 O ATOM 67 CB HIS A 5 34.377 -10.449 0.133 1.00 72.03 C ATOM 68 CG HIS A 5 32.882 -10.553 0.007 1.00 65.10 C ATOM 69 ND1 HIS A 5 32.004 -9.878 0.830 1.00 10.51 N ATOM 70 CD2 HIS A 5 32.110 -11.262 -0.852 1.00 63.34 C ATOM 71 CE1 HIS A 5 30.766 -10.163 0.481 1.00 73.20 C ATOM 72 NE2 HIS A 5 30.802 -10.999 -0.534 1.00 50.21 N ATOM 0 H HIS A 5 36.818 -10.767 0.316 1.00 60.41 H new ATOM 0 HA HIS A 5 34.657 -11.198 2.141 1.00 44.05 H new ATOM 0 HB2 HIS A 5 34.634 -9.433 0.432 1.00 72.03 H new ATOM 0 HB3 HIS A 5 34.824 -10.615 -0.847 1.00 72.03 H new ATOM 0 HD2 HIS A 5 32.460 -11.913 -1.640 1.00 63.34 H new ATOM 0 HE1 HIS A 5 29.873 -9.776 0.949 1.00 73.20 H new ATOM 0 HE2 HIS A 5 29.988 -11.389 -1.008 1.00 50.21 H new ATOM 81 N HIS A 6 34.002 -13.547 1.813 1.00 21.22 N ATOM 82 CA HIS A 6 33.494 -14.914 1.646 1.00 22.30 C ATOM 83 C HIS A 6 32.073 -15.032 2.223 1.00 14.00 C ATOM 84 O HIS A 6 31.689 -14.266 3.106 1.00 45.01 O ATOM 85 CB HIS A 6 34.435 -15.912 2.341 1.00 34.35 C ATOM 86 CG HIS A 6 34.077 -17.350 2.107 1.00 65.34 C ATOM 87 ND1 HIS A 6 33.210 -18.057 2.914 1.00 43.45 N ATOM 88 CD2 HIS A 6 34.476 -18.218 1.147 1.00 4.01 C ATOM 89 CE1 HIS A 6 33.093 -19.289 2.461 1.00 11.11 C ATOM 90 NE2 HIS A 6 33.848 -19.414 1.392 1.00 71.30 N ATOM 0 H HIS A 6 33.889 -13.173 2.755 1.00 21.22 H new ATOM 0 HA HIS A 6 33.455 -15.146 0.582 1.00 22.30 H new ATOM 0 HB2 HIS A 6 35.453 -15.740 1.992 1.00 34.35 H new ATOM 0 HB3 HIS A 6 34.428 -15.716 3.413 1.00 34.35 H new ATOM 0 HD1 HIS A 6 32.733 -17.684 3.735 1.00 43.45 H new ATOM 0 HD2 HIS A 6 35.161 -18.008 0.339 1.00 4.01 H new ATOM 0 HE1 HIS A 6 32.480 -20.065 2.895 1.00 11.11 H new ATOM 99 N HIS A 7 31.298 -15.991 1.715 1.00 73.35 N ATOM 100 CA HIS A 7 29.937 -16.229 2.208 1.00 53.51 C ATOM 101 C HIS A 7 29.935 -16.532 3.712 1.00 42.15 C ATOM 102 O HIS A 7 30.687 -17.386 4.185 1.00 2.44 O ATOM 103 CB HIS A 7 29.288 -17.385 1.436 1.00 41.11 C ATOM 104 CG HIS A 7 27.919 -17.758 1.933 1.00 62.31 C ATOM 105 ND1 HIS A 7 26.803 -16.977 1.727 1.00 11.04 N ATOM 106 CD2 HIS A 7 27.490 -18.833 2.640 1.00 31.34 C ATOM 107 CE1 HIS A 7 25.753 -17.551 2.284 1.00 42.34 C ATOM 108 NE2 HIS A 7 26.141 -18.677 2.845 1.00 0.45 N ATOM 0 H HIS A 7 31.587 -16.616 0.963 1.00 73.35 H new ATOM 0 HA HIS A 7 29.357 -15.320 2.046 1.00 53.51 H new ATOM 0 HB2 HIS A 7 29.219 -17.112 0.383 1.00 41.11 H new ATOM 0 HB3 HIS A 7 29.936 -18.259 1.497 1.00 41.11 H new ATOM 0 HD2 HIS A 7 28.097 -19.659 2.979 1.00 31.34 H new ATOM 0 HE1 HIS A 7 24.745 -17.162 2.280 1.00 42.34 H new ATOM 0 HE2 HIS A 7 25.538 -19.327 3.349 1.00 0.45 H new ATOM 117 N HIS A 8 29.084 -15.827 4.450 1.00 32.12 N ATOM 118 CA HIS A 8 28.964 -16.019 5.897 1.00 61.01 C ATOM 119 C HIS A 8 27.803 -16.969 6.228 1.00 24.15 C ATOM 120 O HIS A 8 27.095 -17.431 5.335 1.00 54.13 O ATOM 121 CB HIS A 8 28.763 -14.662 6.587 1.00 74.31 C ATOM 122 CG HIS A 8 29.832 -13.666 6.248 1.00 11.22 C ATOM 123 ND1 HIS A 8 31.045 -13.622 6.893 1.00 53.34 N ATOM 124 CD2 HIS A 8 29.872 -12.681 5.317 1.00 13.33 C ATOM 125 CE1 HIS A 8 31.784 -12.660 6.381 1.00 73.44 C ATOM 126 NE2 HIS A 8 31.099 -12.074 5.423 1.00 25.45 N ATOM 0 H HIS A 8 28.463 -15.113 4.070 1.00 32.12 H new ATOM 0 HA HIS A 8 29.884 -16.472 6.266 1.00 61.01 H new ATOM 0 HB2 HIS A 8 27.793 -14.256 6.301 1.00 74.31 H new ATOM 0 HB3 HIS A 8 28.741 -14.810 7.667 1.00 74.31 H new ATOM 0 HD2 HIS A 8 29.086 -12.422 4.623 1.00 13.33 H new ATOM 0 HE1 HIS A 8 32.783 -12.397 6.695 1.00 73.44 H new ATOM 0 HE2 HIS A 8 31.426 -11.295 4.852 1.00 25.45 H new ATOM 135 N SER A 9 27.607 -17.256 7.513 1.00 25.54 N ATOM 136 CA SER A 9 26.564 -18.199 7.940 1.00 64.20 C ATOM 137 C SER A 9 25.826 -17.707 9.196 1.00 0.02 C ATOM 138 O SER A 9 26.047 -16.586 9.658 1.00 64.14 O ATOM 139 CB SER A 9 27.180 -19.583 8.197 1.00 71.44 C ATOM 140 OG SER A 9 28.150 -19.541 9.235 1.00 64.22 O ATOM 0 H SER A 9 28.151 -16.854 8.276 1.00 25.54 H new ATOM 0 HA SER A 9 25.832 -18.270 7.135 1.00 64.20 H new ATOM 0 HB2 SER A 9 26.393 -20.288 8.463 1.00 71.44 H new ATOM 0 HB3 SER A 9 27.642 -19.952 7.281 1.00 71.44 H new ATOM 0 HG SER A 9 27.701 -19.419 10.097 1.00 64.22 H new ATOM 146 N HIS A 10 24.938 -18.556 9.730 1.00 71.13 N ATOM 147 CA HIS A 10 24.141 -18.247 10.935 1.00 34.43 C ATOM 148 C HIS A 10 23.059 -17.182 10.675 1.00 61.24 C ATOM 149 O HIS A 10 22.400 -16.724 11.612 1.00 33.23 O ATOM 150 CB HIS A 10 25.041 -17.798 12.099 1.00 75.03 C ATOM 151 CG HIS A 10 25.986 -18.853 12.577 1.00 41.12 C ATOM 152 ND1 HIS A 10 27.266 -19.120 12.231 1.00 72.13 N flip ATOM 153 CD2 HIS A 10 25.651 -19.782 13.535 1.00 4.31 C flip ATOM 154 CE1 HIS A 10 27.671 -20.194 12.979 1.00 72.32 C flip ATOM 155 NE2 HIS A 10 26.679 -20.573 13.757 1.00 31.55 N flip ATOM 0 H HIS A 10 24.748 -19.480 9.341 1.00 71.13 H new ATOM 0 HA HIS A 10 23.636 -19.174 11.208 1.00 34.43 H new ATOM 0 HB2 HIS A 10 25.614 -16.925 11.786 1.00 75.03 H new ATOM 0 HB3 HIS A 10 24.412 -17.484 12.932 1.00 75.03 H new ATOM 0 HD2 HIS A 10 24.693 -19.851 14.028 1.00 4.31 H new ATOM 0 HE1 HIS A 10 28.647 -20.655 12.937 1.00 72.32 H new ATOM 0 HE2 HIS A 10 26.703 -21.348 14.419 1.00 31.55 H new ATOM 164 N GLU A 11 22.862 -16.799 9.414 1.00 42.44 N ATOM 165 CA GLU A 11 21.838 -15.805 9.064 1.00 52.01 C ATOM 166 C GLU A 11 20.520 -16.480 8.651 1.00 2.21 C ATOM 167 O GLU A 11 20.520 -17.482 7.932 1.00 5.24 O ATOM 168 CB GLU A 11 22.336 -14.872 7.946 1.00 61.33 C ATOM 169 CG GLU A 11 23.510 -13.989 8.369 1.00 50.41 C ATOM 170 CD GLU A 11 23.833 -12.894 7.360 1.00 0.41 C ATOM 171 OE1 GLU A 11 22.942 -12.059 7.081 1.00 0.42 O ATOM 172 OE2 GLU A 11 24.985 -12.836 6.877 1.00 1.45 O ATOM 0 H GLU A 11 23.392 -17.157 8.620 1.00 42.44 H new ATOM 0 HA GLU A 11 21.646 -15.206 9.954 1.00 52.01 H new ATOM 0 HB2 GLU A 11 22.634 -15.473 7.087 1.00 61.33 H new ATOM 0 HB3 GLU A 11 21.513 -14.237 7.620 1.00 61.33 H new ATOM 0 HG2 GLU A 11 23.283 -13.531 9.332 1.00 50.41 H new ATOM 0 HG3 GLU A 11 24.392 -14.613 8.513 1.00 50.41 H new ATOM 179 N HIS A 12 19.402 -15.919 9.116 1.00 73.10 N ATOM 180 CA HIS A 12 18.074 -16.506 8.886 1.00 22.15 C ATOM 181 C HIS A 12 17.300 -15.730 7.809 1.00 51.02 C ATOM 182 O HIS A 12 17.100 -14.524 7.933 1.00 64.51 O ATOM 183 CB HIS A 12 17.265 -16.497 10.191 1.00 25.11 C ATOM 184 CG HIS A 12 17.936 -17.201 11.332 1.00 34.35 C ATOM 185 ND1 HIS A 12 17.408 -18.317 11.941 1.00 43.42 N ATOM 186 CD2 HIS A 12 19.087 -16.931 11.995 1.00 43.02 C ATOM 187 CE1 HIS A 12 18.197 -18.702 12.923 1.00 24.13 C ATOM 188 NE2 HIS A 12 19.224 -17.878 12.977 1.00 61.04 N ATOM 0 H HIS A 12 19.387 -15.055 9.657 1.00 73.10 H new ATOM 0 HA HIS A 12 18.217 -17.530 8.542 1.00 22.15 H new ATOM 0 HB2 HIS A 12 17.072 -15.464 10.479 1.00 25.11 H new ATOM 0 HB3 HIS A 12 16.297 -16.964 10.009 1.00 25.11 H new ATOM 0 HD2 HIS A 12 19.770 -16.120 11.788 1.00 43.02 H new ATOM 0 HE1 HIS A 12 18.031 -19.548 13.573 1.00 24.13 H new ATOM 0 HE2 HIS A 12 19.996 -17.935 13.642 1.00 61.04 H new ATOM 197 N LYS A 13 16.876 -16.415 6.747 1.00 65.03 N ATOM 198 CA LYS A 13 16.080 -15.778 5.688 1.00 13.02 C ATOM 199 C LYS A 13 14.671 -16.389 5.568 1.00 50.14 C ATOM 200 O LYS A 13 14.492 -17.604 5.675 1.00 73.15 O ATOM 201 CB LYS A 13 16.810 -15.858 4.343 1.00 3.51 C ATOM 202 CG LYS A 13 18.150 -15.124 4.333 1.00 2.33 C ATOM 203 CD LYS A 13 18.750 -15.044 2.934 1.00 60.35 C ATOM 204 CE LYS A 13 19.010 -16.423 2.336 1.00 73.40 C ATOM 205 NZ LYS A 13 19.560 -16.326 0.960 1.00 34.01 N ATOM 0 H LYS A 13 17.067 -17.405 6.594 1.00 65.03 H new ATOM 0 HA LYS A 13 15.958 -14.731 5.967 1.00 13.02 H new ATOM 0 HB2 LYS A 13 16.976 -16.905 4.090 1.00 3.51 H new ATOM 0 HB3 LYS A 13 16.170 -15.440 3.566 1.00 3.51 H new ATOM 0 HG2 LYS A 13 18.014 -14.117 4.727 1.00 2.33 H new ATOM 0 HG3 LYS A 13 18.847 -15.634 4.997 1.00 2.33 H new ATOM 0 HD2 LYS A 13 18.075 -14.489 2.283 1.00 60.35 H new ATOM 0 HD3 LYS A 13 19.685 -14.485 2.973 1.00 60.35 H new ATOM 0 HE2 LYS A 13 19.708 -16.970 2.970 1.00 73.40 H new ATOM 0 HE3 LYS A 13 18.082 -16.994 2.318 1.00 73.40 H new ATOM 0 HZ1 LYS A 13 19.059 -16.992 0.338 1.00 34.01 H new ATOM 0 HZ2 LYS A 13 19.433 -15.357 0.603 1.00 34.01 H new ATOM 0 HZ3 LYS A 13 20.573 -16.560 0.974 1.00 34.01 H new ATOM 219 N ARG A 14 13.679 -15.531 5.344 1.00 74.01 N ATOM 220 CA ARG A 14 12.280 -15.954 5.189 1.00 75.44 C ATOM 221 C ARG A 14 11.597 -15.202 4.035 1.00 30.42 C ATOM 222 O ARG A 14 11.674 -13.974 3.949 1.00 42.10 O ATOM 223 CB ARG A 14 11.507 -15.715 6.496 1.00 31.13 C ATOM 224 CG ARG A 14 9.992 -15.895 6.374 1.00 4.33 C ATOM 225 CD ARG A 14 9.600 -17.315 5.970 1.00 14.23 C ATOM 226 NE ARG A 14 8.176 -17.414 5.657 1.00 31.12 N ATOM 227 CZ ARG A 14 7.311 -18.110 6.343 1.00 42.32 C ATOM 228 NH1 ARG A 14 7.683 -18.791 7.380 1.00 72.33 N ATOM 229 NH2 ARG A 14 6.069 -18.125 5.980 1.00 15.44 N ATOM 0 H ARG A 14 13.817 -14.523 5.264 1.00 74.01 H new ATOM 0 HA ARG A 14 12.275 -17.019 4.955 1.00 75.44 H new ATOM 0 HB2 ARG A 14 11.882 -16.400 7.257 1.00 31.13 H new ATOM 0 HB3 ARG A 14 11.714 -14.704 6.847 1.00 31.13 H new ATOM 0 HG2 ARG A 14 9.523 -15.650 7.327 1.00 4.33 H new ATOM 0 HG3 ARG A 14 9.604 -15.191 5.637 1.00 4.33 H new ATOM 0 HD2 ARG A 14 10.185 -17.621 5.103 1.00 14.23 H new ATOM 0 HD3 ARG A 14 9.844 -18.004 6.779 1.00 14.23 H new ATOM 0 HE ARG A 14 7.833 -16.902 4.844 1.00 31.12 H new ATOM 0 HH11 ARG A 14 8.661 -18.787 7.669 1.00 72.33 H new ATOM 0 HH12 ARG A 14 6.998 -19.331 7.908 1.00 72.33 H new ATOM 0 HH21 ARG A 14 5.770 -17.595 5.161 1.00 15.44 H new ATOM 0 HH22 ARG A 14 5.389 -18.667 6.512 1.00 15.44 H new ATOM 243 N ALA A 15 10.922 -15.948 3.161 1.00 43.54 N ATOM 244 CA ALA A 15 10.161 -15.360 2.055 1.00 14.02 C ATOM 245 C ALA A 15 8.916 -14.612 2.571 1.00 22.14 C ATOM 246 O ALA A 15 8.224 -15.096 3.471 1.00 61.10 O ATOM 247 CB ALA A 15 9.754 -16.445 1.062 1.00 40.42 C ATOM 0 H ALA A 15 10.886 -16.967 3.197 1.00 43.54 H new ATOM 0 HA ALA A 15 10.801 -14.637 1.549 1.00 14.02 H new ATOM 0 HB1 ALA A 15 9.189 -15.997 0.245 1.00 40.42 H new ATOM 0 HB2 ALA A 15 10.647 -16.928 0.664 1.00 40.42 H new ATOM 0 HB3 ALA A 15 9.135 -17.187 1.567 1.00 40.42 H new ATOM 253 N PRO A 16 8.601 -13.435 1.984 1.00 1.24 N ATOM 254 CA PRO A 16 7.489 -12.581 2.448 1.00 34.24 C ATOM 255 C PRO A 16 6.108 -13.241 2.295 1.00 31.13 C ATOM 256 O PRO A 16 5.849 -13.960 1.328 1.00 74.11 O ATOM 257 CB PRO A 16 7.601 -11.330 1.558 1.00 70.34 C ATOM 258 CG PRO A 16 8.335 -11.789 0.343 1.00 41.51 C ATOM 259 CD PRO A 16 9.292 -12.849 0.820 1.00 23.24 C ATOM 0 HA PRO A 16 7.567 -12.372 3.515 1.00 34.24 H new ATOM 0 HB2 PRO A 16 6.617 -10.938 1.301 1.00 70.34 H new ATOM 0 HB3 PRO A 16 8.139 -10.530 2.066 1.00 70.34 H new ATOM 0 HG2 PRO A 16 7.647 -12.189 -0.402 1.00 41.51 H new ATOM 0 HG3 PRO A 16 8.869 -10.963 -0.127 1.00 41.51 H new ATOM 0 HD2 PRO A 16 9.482 -13.595 0.048 1.00 23.24 H new ATOM 0 HD3 PRO A 16 10.257 -12.424 1.097 1.00 23.24 H new ATOM 267 N MET A 17 5.227 -12.987 3.258 1.00 63.13 N ATOM 268 CA MET A 17 3.863 -13.528 3.240 1.00 72.25 C ATOM 269 C MET A 17 2.848 -12.507 3.788 1.00 13.05 C ATOM 270 O MET A 17 3.038 -11.963 4.877 1.00 0.22 O ATOM 271 CB MET A 17 3.804 -14.824 4.071 1.00 53.13 C ATOM 272 CG MET A 17 2.387 -15.306 4.387 1.00 60.35 C ATOM 273 SD MET A 17 1.401 -15.628 2.910 1.00 25.54 S ATOM 274 CE MET A 17 -0.193 -16.000 3.647 1.00 14.40 C ATOM 0 H MET A 17 5.432 -12.405 4.070 1.00 63.13 H new ATOM 0 HA MET A 17 3.598 -13.745 2.205 1.00 72.25 H new ATOM 0 HB2 MET A 17 4.331 -15.611 3.532 1.00 53.13 H new ATOM 0 HB3 MET A 17 4.339 -14.666 5.008 1.00 53.13 H new ATOM 0 HG2 MET A 17 2.444 -16.216 4.984 1.00 60.35 H new ATOM 0 HG3 MET A 17 1.883 -14.556 4.997 1.00 60.35 H new ATOM 0 HE1 MET A 17 -0.987 -15.738 2.948 1.00 14.40 H new ATOM 0 HE2 MET A 17 -0.248 -17.064 3.876 1.00 14.40 H new ATOM 0 HE3 MET A 17 -0.313 -15.424 4.565 1.00 14.40 H new ATOM 284 N PHE A 18 1.780 -12.251 3.030 1.00 63.31 N ATOM 285 CA PHE A 18 0.693 -11.382 3.497 1.00 20.34 C ATOM 286 C PHE A 18 -0.196 -12.119 4.507 1.00 62.44 C ATOM 287 O PHE A 18 -0.990 -12.984 4.135 1.00 63.11 O ATOM 288 CB PHE A 18 -0.168 -10.905 2.318 1.00 13.03 C ATOM 289 CG PHE A 18 0.521 -9.934 1.390 1.00 73.34 C ATOM 290 CD1 PHE A 18 0.491 -8.572 1.651 1.00 3.11 C ATOM 291 CD2 PHE A 18 1.182 -10.379 0.253 1.00 2.21 C ATOM 292 CE1 PHE A 18 1.106 -7.674 0.799 1.00 12.33 C ATOM 293 CE2 PHE A 18 1.801 -9.484 -0.601 1.00 1.55 C ATOM 294 CZ PHE A 18 1.763 -8.131 -0.327 1.00 12.43 C ATOM 0 H PHE A 18 1.643 -12.630 2.093 1.00 63.31 H new ATOM 0 HA PHE A 18 1.146 -10.518 3.982 1.00 20.34 H new ATOM 0 HB2 PHE A 18 -0.486 -11.774 1.742 1.00 13.03 H new ATOM 0 HB3 PHE A 18 -1.070 -10.435 2.710 1.00 13.03 H new ATOM 0 HD1 PHE A 18 -0.019 -8.209 2.531 1.00 3.11 H new ATOM 0 HD2 PHE A 18 1.213 -11.436 0.033 1.00 2.21 H new ATOM 0 HE1 PHE A 18 1.073 -6.616 1.013 1.00 12.33 H new ATOM 0 HE2 PHE A 18 2.314 -9.843 -1.481 1.00 1.55 H new ATOM 0 HZ PHE A 18 2.246 -7.431 -0.992 1.00 12.43 H new ATOM 304 N ILE A 19 -0.056 -11.777 5.782 1.00 45.00 N ATOM 305 CA ILE A 19 -0.856 -12.398 6.843 1.00 71.30 C ATOM 306 C ILE A 19 -2.290 -11.843 6.839 1.00 74.20 C ATOM 307 O ILE A 19 -3.251 -12.551 7.146 1.00 22.54 O ATOM 308 CB ILE A 19 -0.214 -12.157 8.235 1.00 33.03 C ATOM 309 CG1 ILE A 19 1.291 -12.471 8.190 1.00 33.35 C ATOM 310 CG2 ILE A 19 -0.908 -13.007 9.300 1.00 51.12 C ATOM 311 CD1 ILE A 19 2.023 -12.166 9.482 1.00 13.31 C ATOM 0 H ILE A 19 0.604 -11.072 6.112 1.00 45.00 H new ATOM 0 HA ILE A 19 -0.886 -13.470 6.648 1.00 71.30 H new ATOM 0 HB ILE A 19 -0.341 -11.107 8.499 1.00 33.03 H new ATOM 0 HG12 ILE A 19 1.425 -13.526 7.949 1.00 33.35 H new ATOM 0 HG13 ILE A 19 1.747 -11.899 7.382 1.00 33.35 H new ATOM 0 HG21 ILE A 19 -0.445 -12.825 10.270 1.00 51.12 H new ATOM 0 HG22 ILE A 19 -1.964 -12.741 9.347 1.00 51.12 H new ATOM 0 HG23 ILE A 19 -0.811 -14.062 9.044 1.00 51.12 H new ATOM 0 HD11 ILE A 19 3.078 -12.414 9.370 1.00 13.31 H new ATOM 0 HD12 ILE A 19 1.923 -11.106 9.716 1.00 13.31 H new ATOM 0 HD13 ILE A 19 1.595 -12.758 10.291 1.00 13.31 H new ATOM 323 N TYR A 20 -2.418 -10.564 6.488 1.00 3.33 N ATOM 324 CA TYR A 20 -3.723 -9.894 6.378 1.00 14.45 C ATOM 325 C TYR A 20 -3.721 -8.927 5.191 1.00 21.44 C ATOM 326 O TYR A 20 -2.699 -8.309 4.895 1.00 3.20 O ATOM 327 CB TYR A 20 -4.049 -9.113 7.664 1.00 14.12 C ATOM 328 CG TYR A 20 -3.991 -9.951 8.927 1.00 53.03 C ATOM 329 CD1 TYR A 20 -5.034 -10.801 9.273 1.00 2.12 C ATOM 330 CD2 TYR A 20 -2.886 -9.898 9.768 1.00 71.02 C ATOM 331 CE1 TYR A 20 -4.976 -11.575 10.415 1.00 31.51 C ATOM 332 CE2 TYR A 20 -2.822 -10.667 10.915 1.00 60.50 C ATOM 333 CZ TYR A 20 -3.868 -11.505 11.232 1.00 61.33 C ATOM 334 OH TYR A 20 -3.805 -12.291 12.361 1.00 50.42 O ATOM 0 H TYR A 20 -1.625 -9.960 6.271 1.00 3.33 H new ATOM 0 HA TYR A 20 -4.482 -10.661 6.227 1.00 14.45 H new ATOM 0 HB2 TYR A 20 -3.350 -8.282 7.759 1.00 14.12 H new ATOM 0 HB3 TYR A 20 -5.046 -8.682 7.572 1.00 14.12 H new ATOM 0 HD1 TYR A 20 -5.905 -10.857 8.638 1.00 2.12 H new ATOM 0 HD2 TYR A 20 -2.062 -9.244 9.521 1.00 71.02 H new ATOM 0 HE1 TYR A 20 -5.795 -12.232 10.667 1.00 31.51 H new ATOM 0 HE2 TYR A 20 -1.957 -10.611 11.559 1.00 60.50 H new ATOM 0 HH TYR A 20 -2.960 -12.125 12.828 1.00 50.42 H new ATOM 344 N LYS A 21 -4.855 -8.802 4.504 1.00 11.41 N ATOM 345 CA LYS A 21 -4.987 -7.834 3.404 1.00 3.52 C ATOM 346 C LYS A 21 -5.692 -6.551 3.883 1.00 73.51 C ATOM 347 O LYS A 21 -6.514 -6.593 4.804 1.00 41.10 O ATOM 348 CB LYS A 21 -5.763 -8.448 2.225 1.00 23.12 C ATOM 349 CG LYS A 21 -7.240 -8.708 2.511 1.00 4.25 C ATOM 350 CD LYS A 21 -7.964 -9.272 1.288 1.00 64.43 C ATOM 351 CE LYS A 21 -9.445 -9.510 1.564 1.00 53.41 C ATOM 352 NZ LYS A 21 -9.657 -10.497 2.656 1.00 74.52 N ATOM 0 H LYS A 21 -5.694 -9.353 4.684 1.00 11.41 H new ATOM 0 HA LYS A 21 -3.983 -7.576 3.067 1.00 3.52 H new ATOM 0 HB2 LYS A 21 -5.683 -7.781 1.366 1.00 23.12 H new ATOM 0 HB3 LYS A 21 -5.289 -9.388 1.944 1.00 23.12 H new ATOM 0 HG2 LYS A 21 -7.332 -9.407 3.342 1.00 4.25 H new ATOM 0 HG3 LYS A 21 -7.719 -7.779 2.821 1.00 4.25 H new ATOM 0 HD2 LYS A 21 -7.857 -8.581 0.452 1.00 64.43 H new ATOM 0 HD3 LYS A 21 -7.495 -10.209 0.989 1.00 64.43 H new ATOM 0 HE2 LYS A 21 -9.920 -8.566 1.831 1.00 53.41 H new ATOM 0 HE3 LYS A 21 -9.931 -9.865 0.655 1.00 53.41 H new ATOM 0 HZ1 LYS A 21 -10.663 -10.757 2.698 1.00 74.52 H new ATOM 0 HZ2 LYS A 21 -9.087 -11.347 2.471 1.00 74.52 H new ATOM 0 HZ3 LYS A 21 -9.369 -10.078 3.563 1.00 74.52 H new ATOM 366 N PRO A 22 -5.391 -5.391 3.267 1.00 20.33 N ATOM 367 CA PRO A 22 -6.045 -4.131 3.625 1.00 21.12 C ATOM 368 C PRO A 22 -7.507 -4.096 3.157 1.00 20.35 C ATOM 369 O PRO A 22 -7.876 -4.745 2.174 1.00 12.31 O ATOM 370 CB PRO A 22 -5.221 -3.045 2.913 1.00 55.34 C ATOM 371 CG PRO A 22 -4.132 -3.746 2.157 1.00 33.04 C ATOM 372 CD PRO A 22 -4.421 -5.225 2.175 1.00 73.21 C ATOM 0 HA PRO A 22 -6.077 -3.990 4.705 1.00 21.12 H new ATOM 0 HB2 PRO A 22 -5.849 -2.466 2.236 1.00 55.34 H new ATOM 0 HB3 PRO A 22 -4.800 -2.345 3.635 1.00 55.34 H new ATOM 0 HG2 PRO A 22 -4.086 -3.380 1.131 1.00 33.04 H new ATOM 0 HG3 PRO A 22 -3.162 -3.543 2.612 1.00 33.04 H new ATOM 0 HD2 PRO A 22 -4.832 -5.562 1.223 1.00 73.21 H new ATOM 0 HD3 PRO A 22 -3.516 -5.805 2.355 1.00 73.21 H new ATOM 380 N GLN A 23 -8.340 -3.338 3.860 1.00 12.23 N ATOM 381 CA GLN A 23 -9.764 -3.267 3.529 1.00 14.44 C ATOM 382 C GLN A 23 -10.057 -2.109 2.567 1.00 51.21 C ATOM 383 O GLN A 23 -9.624 -0.980 2.786 1.00 54.24 O ATOM 384 CB GLN A 23 -10.600 -3.109 4.808 1.00 63.31 C ATOM 385 CG GLN A 23 -10.399 -4.227 5.832 1.00 21.21 C ATOM 386 CD GLN A 23 -10.720 -5.607 5.276 1.00 41.13 C ATOM 387 OE1 GLN A 23 -11.856 -6.064 5.333 1.00 55.43 O ATOM 388 NE2 GLN A 23 -9.720 -6.288 4.749 1.00 44.20 N ATOM 0 H GLN A 23 -8.060 -2.767 4.657 1.00 12.23 H new ATOM 0 HA GLN A 23 -10.037 -4.198 3.033 1.00 14.44 H new ATOM 0 HB2 GLN A 23 -10.352 -2.156 5.275 1.00 63.31 H new ATOM 0 HB3 GLN A 23 -11.655 -3.066 4.536 1.00 63.31 H new ATOM 0 HG2 GLN A 23 -9.366 -4.213 6.179 1.00 21.21 H new ATOM 0 HG3 GLN A 23 -11.030 -4.035 6.700 1.00 21.21 H new ATOM 0 HE21 GLN A 23 -8.786 -5.880 4.717 1.00 44.20 H new ATOM 0 HE22 GLN A 23 -9.881 -7.223 4.374 1.00 44.20 H new ATOM 397 N SER A 24 -10.797 -2.401 1.501 1.00 61.41 N ATOM 398 CA SER A 24 -11.169 -1.387 0.503 1.00 25.13 C ATOM 399 C SER A 24 -12.169 -0.368 1.070 1.00 14.51 C ATOM 400 O SER A 24 -13.277 -0.723 1.476 1.00 11.13 O ATOM 401 CB SER A 24 -11.751 -2.059 -0.750 1.00 31.11 C ATOM 402 OG SER A 24 -12.813 -2.947 -0.428 1.00 11.33 O ATOM 0 H SER A 24 -11.155 -3.335 1.300 1.00 61.41 H new ATOM 0 HA SER A 24 -10.262 -0.846 0.232 1.00 25.13 H new ATOM 0 HB2 SER A 24 -12.112 -1.294 -1.438 1.00 31.11 H new ATOM 0 HB3 SER A 24 -10.964 -2.607 -1.268 1.00 31.11 H new ATOM 0 HG SER A 24 -13.292 -2.613 0.359 1.00 11.33 H new ATOM 408 N LYS A 25 -11.772 0.904 1.092 1.00 61.42 N ATOM 409 CA LYS A 25 -12.607 1.976 1.658 1.00 51.42 C ATOM 410 C LYS A 25 -12.805 3.111 0.637 1.00 43.05 C ATOM 411 O LYS A 25 -12.082 3.194 -0.357 1.00 51.12 O ATOM 412 CB LYS A 25 -11.962 2.534 2.941 1.00 14.15 C ATOM 413 CG LYS A 25 -11.512 1.463 3.938 1.00 41.33 C ATOM 414 CD LYS A 25 -12.665 0.567 4.398 1.00 62.21 C ATOM 415 CE LYS A 25 -13.680 1.319 5.251 1.00 4.13 C ATOM 416 NZ LYS A 25 -13.079 1.836 6.509 1.00 62.53 N ATOM 0 H LYS A 25 -10.876 1.223 0.725 1.00 61.42 H new ATOM 0 HA LYS A 25 -13.582 1.554 1.902 1.00 51.42 H new ATOM 0 HB2 LYS A 25 -11.100 3.142 2.665 1.00 14.15 H new ATOM 0 HB3 LYS A 25 -12.675 3.196 3.434 1.00 14.15 H new ATOM 0 HG2 LYS A 25 -10.738 0.847 3.480 1.00 41.33 H new ATOM 0 HG3 LYS A 25 -11.063 1.945 4.806 1.00 41.33 H new ATOM 0 HD2 LYS A 25 -13.167 0.148 3.526 1.00 62.21 H new ATOM 0 HD3 LYS A 25 -12.265 -0.271 4.968 1.00 62.21 H new ATOM 0 HE2 LYS A 25 -14.090 2.150 4.677 1.00 4.13 H new ATOM 0 HE3 LYS A 25 -14.512 0.657 5.492 1.00 4.13 H new ATOM 0 HZ1 LYS A 25 -13.835 2.127 7.161 1.00 62.53 H new ATOM 0 HZ2 LYS A 25 -12.507 1.089 6.953 1.00 62.53 H new ATOM 0 HZ3 LYS A 25 -12.474 2.654 6.294 1.00 62.53 H new ATOM 430 N LYS A 26 -13.792 3.978 0.879 1.00 20.42 N ATOM 431 CA LYS A 26 -14.040 5.129 -0.004 1.00 73.51 C ATOM 432 C LYS A 26 -13.999 6.463 0.761 1.00 43.33 C ATOM 433 O LYS A 26 -14.386 6.541 1.929 1.00 71.24 O ATOM 434 CB LYS A 26 -15.390 4.985 -0.725 1.00 32.44 C ATOM 435 CG LYS A 26 -16.603 4.943 0.200 1.00 63.11 C ATOM 436 CD LYS A 26 -17.912 4.943 -0.590 1.00 33.52 C ATOM 437 CE LYS A 26 -18.017 3.749 -1.533 1.00 32.34 C ATOM 438 NZ LYS A 26 -18.022 2.453 -0.799 1.00 20.31 N ATOM 0 H LYS A 26 -14.430 3.909 1.672 1.00 20.42 H new ATOM 0 HA LYS A 26 -13.238 5.139 -0.742 1.00 73.51 H new ATOM 0 HB2 LYS A 26 -15.507 5.818 -1.419 1.00 32.44 H new ATOM 0 HB3 LYS A 26 -15.373 4.073 -1.322 1.00 32.44 H new ATOM 0 HG2 LYS A 26 -16.554 4.051 0.825 1.00 63.11 H new ATOM 0 HG3 LYS A 26 -16.581 5.803 0.869 1.00 63.11 H new ATOM 0 HD2 LYS A 26 -18.753 4.931 0.104 1.00 33.52 H new ATOM 0 HD3 LYS A 26 -17.987 5.866 -1.165 1.00 33.52 H new ATOM 0 HE2 LYS A 26 -18.929 3.834 -2.124 1.00 32.34 H new ATOM 0 HE3 LYS A 26 -17.181 3.766 -2.232 1.00 32.34 H new ATOM 0 HZ1 LYS A 26 -18.213 1.678 -1.465 1.00 20.31 H new ATOM 0 HZ2 LYS A 26 -17.095 2.304 -0.351 1.00 20.31 H new ATOM 0 HZ3 LYS A 26 -18.761 2.471 -0.067 1.00 20.31 H new ATOM 452 N VAL A 27 -13.520 7.510 0.087 1.00 32.12 N ATOM 453 CA VAL A 27 -13.455 8.864 0.665 1.00 32.40 C ATOM 454 C VAL A 27 -13.907 9.932 -0.351 1.00 75.32 C ATOM 455 O VAL A 27 -14.221 9.617 -1.499 1.00 73.43 O ATOM 456 CB VAL A 27 -12.020 9.209 1.148 1.00 14.34 C ATOM 457 CG1 VAL A 27 -11.605 8.312 2.314 1.00 0.14 C ATOM 458 CG2 VAL A 27 -11.018 9.100 -0.003 1.00 62.31 C ATOM 0 H VAL A 27 -13.167 7.450 -0.868 1.00 32.12 H new ATOM 0 HA VAL A 27 -14.132 8.869 1.519 1.00 32.40 H new ATOM 0 HB VAL A 27 -12.023 10.241 1.500 1.00 14.34 H new ATOM 0 HG11 VAL A 27 -10.596 8.574 2.633 1.00 0.14 H new ATOM 0 HG12 VAL A 27 -12.297 8.452 3.145 1.00 0.14 H new ATOM 0 HG13 VAL A 27 -11.626 7.270 1.996 1.00 0.14 H new ATOM 0 HG21 VAL A 27 -10.020 9.346 0.359 1.00 62.31 H new ATOM 0 HG22 VAL A 27 -11.022 8.082 -0.393 1.00 62.31 H new ATOM 0 HG23 VAL A 27 -11.298 9.794 -0.796 1.00 62.31 H new ATOM 468 N LEU A 28 -13.945 11.192 0.085 1.00 32.50 N ATOM 469 CA LEU A 28 -14.299 12.319 -0.792 1.00 25.44 C ATOM 470 C LEU A 28 -13.043 13.050 -1.295 1.00 21.54 C ATOM 471 O LEU A 28 -11.959 12.914 -0.723 1.00 31.33 O ATOM 472 CB LEU A 28 -15.209 13.307 -0.044 1.00 34.50 C ATOM 473 CG LEU A 28 -16.595 12.762 0.347 1.00 44.11 C ATOM 474 CD1 LEU A 28 -17.348 13.757 1.226 1.00 64.32 C ATOM 475 CD2 LEU A 28 -17.410 12.433 -0.901 1.00 15.43 C ATOM 0 H LEU A 28 -13.734 11.463 1.046 1.00 32.50 H new ATOM 0 HA LEU A 28 -14.830 11.917 -1.655 1.00 25.44 H new ATOM 0 HB2 LEU A 28 -14.697 13.633 0.861 1.00 34.50 H new ATOM 0 HB3 LEU A 28 -15.347 14.191 -0.667 1.00 34.50 H new ATOM 0 HG LEU A 28 -16.448 11.847 0.921 1.00 44.11 H new ATOM 0 HD11 LEU A 28 -18.323 13.346 1.487 1.00 64.32 H new ATOM 0 HD12 LEU A 28 -16.777 13.943 2.136 1.00 64.32 H new ATOM 0 HD13 LEU A 28 -17.482 14.693 0.684 1.00 64.32 H new ATOM 0 HD21 LEU A 28 -18.387 12.049 -0.607 1.00 15.43 H new ATOM 0 HD22 LEU A 28 -17.540 13.335 -1.499 1.00 15.43 H new ATOM 0 HD23 LEU A 28 -16.886 11.680 -1.489 1.00 15.43 H new ATOM 487 N GLU A 29 -13.198 13.833 -2.366 1.00 11.23 N ATOM 488 CA GLU A 29 -12.076 14.588 -2.943 1.00 35.31 C ATOM 489 C GLU A 29 -11.493 15.601 -1.948 1.00 63.22 C ATOM 490 O GLU A 29 -12.079 16.652 -1.706 1.00 61.10 O ATOM 491 CB GLU A 29 -12.517 15.329 -4.211 1.00 45.24 C ATOM 492 CG GLU A 29 -13.014 14.418 -5.322 1.00 13.31 C ATOM 493 CD GLU A 29 -13.250 15.162 -6.625 1.00 1.10 C ATOM 494 OE1 GLU A 29 -14.257 15.896 -6.731 1.00 12.12 O ATOM 495 OE2 GLU A 29 -12.429 15.013 -7.551 1.00 22.44 O ATOM 0 H GLU A 29 -14.086 13.962 -2.852 1.00 11.23 H new ATOM 0 HA GLU A 29 -11.302 13.861 -3.190 1.00 35.31 H new ATOM 0 HB2 GLU A 29 -13.308 16.032 -3.951 1.00 45.24 H new ATOM 0 HB3 GLU A 29 -11.679 15.917 -4.585 1.00 45.24 H new ATOM 0 HG2 GLU A 29 -12.287 13.623 -5.488 1.00 13.31 H new ATOM 0 HG3 GLU A 29 -13.942 13.940 -5.007 1.00 13.31 H new ATOM 502 N GLY A 30 -10.326 15.288 -1.395 1.00 70.32 N ATOM 503 CA GLY A 30 -9.693 16.176 -0.424 1.00 71.12 C ATOM 504 C GLY A 30 -9.546 15.546 0.957 1.00 5.45 C ATOM 505 O GLY A 30 -8.835 16.074 1.817 1.00 72.52 O ATOM 0 H GLY A 30 -9.803 14.436 -1.599 1.00 70.32 H new ATOM 0 HA2 GLY A 30 -8.708 16.464 -0.792 1.00 71.12 H new ATOM 0 HA3 GLY A 30 -10.281 17.090 -0.339 1.00 71.12 H new ATOM 509 N ASP A 31 -10.219 14.420 1.175 1.00 41.41 N ATOM 510 CA ASP A 31 -10.124 13.692 2.443 1.00 41.11 C ATOM 511 C ASP A 31 -8.895 12.767 2.487 1.00 31.15 C ATOM 512 O ASP A 31 -8.104 12.704 1.544 1.00 61.22 O ATOM 513 CB ASP A 31 -11.407 12.889 2.689 1.00 12.05 C ATOM 514 CG ASP A 31 -12.553 13.778 3.135 1.00 4.14 C ATOM 515 OD1 ASP A 31 -13.245 14.350 2.275 1.00 51.24 O ATOM 516 OD2 ASP A 31 -12.758 13.916 4.358 1.00 52.32 O ATOM 0 H ASP A 31 -10.839 13.988 0.490 1.00 41.41 H new ATOM 0 HA ASP A 31 -10.003 14.429 3.237 1.00 41.11 H new ATOM 0 HB2 ASP A 31 -11.688 12.365 1.776 1.00 12.05 H new ATOM 0 HB3 ASP A 31 -11.220 12.129 3.448 1.00 12.05 H new ATOM 521 N SER A 32 -8.742 12.061 3.604 1.00 23.44 N ATOM 522 CA SER A 32 -7.600 11.158 3.810 1.00 52.12 C ATOM 523 C SER A 32 -8.051 9.744 4.197 1.00 52.44 C ATOM 524 O SER A 32 -9.089 9.559 4.839 1.00 21.12 O ATOM 525 CB SER A 32 -6.676 11.715 4.899 1.00 5.31 C ATOM 526 OG SER A 32 -7.385 11.945 6.109 1.00 64.13 O ATOM 0 H SER A 32 -9.395 12.093 4.387 1.00 23.44 H new ATOM 0 HA SER A 32 -7.062 11.094 2.864 1.00 52.12 H new ATOM 0 HB2 SER A 32 -5.860 11.015 5.080 1.00 5.31 H new ATOM 0 HB3 SER A 32 -6.226 12.647 4.556 1.00 5.31 H new ATOM 0 HG SER A 32 -6.771 12.298 6.786 1.00 64.13 H new ATOM 532 N VAL A 33 -7.249 8.752 3.822 1.00 71.40 N ATOM 533 CA VAL A 33 -7.539 7.348 4.131 1.00 13.34 C ATOM 534 C VAL A 33 -6.259 6.605 4.567 1.00 62.52 C ATOM 535 O VAL A 33 -5.145 7.031 4.247 1.00 14.20 O ATOM 536 CB VAL A 33 -8.158 6.631 2.900 1.00 34.32 C ATOM 537 CG1 VAL A 33 -7.154 6.560 1.749 1.00 43.03 C ATOM 538 CG2 VAL A 33 -8.670 5.237 3.269 1.00 32.22 C ATOM 0 H VAL A 33 -6.385 8.893 3.299 1.00 71.40 H new ATOM 0 HA VAL A 33 -8.256 7.332 4.952 1.00 13.34 H new ATOM 0 HB VAL A 33 -9.013 7.219 2.567 1.00 34.32 H new ATOM 0 HG11 VAL A 33 -7.611 6.054 0.899 1.00 43.03 H new ATOM 0 HG12 VAL A 33 -6.863 7.569 1.457 1.00 43.03 H new ATOM 0 HG13 VAL A 33 -6.271 6.007 2.070 1.00 43.03 H new ATOM 0 HG21 VAL A 33 -9.097 4.761 2.386 1.00 32.22 H new ATOM 0 HG22 VAL A 33 -7.843 4.633 3.643 1.00 32.22 H new ATOM 0 HG23 VAL A 33 -9.435 5.323 4.041 1.00 32.22 H new ATOM 548 N LYS A 34 -6.420 5.505 5.310 1.00 23.52 N ATOM 549 CA LYS A 34 -5.282 4.676 5.736 1.00 52.21 C ATOM 550 C LYS A 34 -5.503 3.190 5.401 1.00 11.05 C ATOM 551 O LYS A 34 -6.573 2.632 5.657 1.00 2.00 O ATOM 552 CB LYS A 34 -5.016 4.842 7.241 1.00 23.33 C ATOM 553 CG LYS A 34 -6.252 4.687 8.127 1.00 65.14 C ATOM 554 CD LYS A 34 -5.887 4.479 9.600 1.00 20.14 C ATOM 555 CE LYS A 34 -4.830 5.465 10.097 1.00 34.11 C ATOM 556 NZ LYS A 34 -5.267 6.881 9.978 1.00 41.30 N ATOM 0 H LYS A 34 -7.327 5.166 5.630 1.00 23.52 H new ATOM 0 HA LYS A 34 -4.409 5.021 5.182 1.00 52.21 H new ATOM 0 HB2 LYS A 34 -4.271 4.108 7.548 1.00 23.33 H new ATOM 0 HB3 LYS A 34 -4.583 5.827 7.413 1.00 23.33 H new ATOM 0 HG2 LYS A 34 -6.879 5.574 8.032 1.00 65.14 H new ATOM 0 HG3 LYS A 34 -6.843 3.840 7.778 1.00 65.14 H new ATOM 0 HD2 LYS A 34 -6.785 4.580 10.209 1.00 20.14 H new ATOM 0 HD3 LYS A 34 -5.521 3.462 9.738 1.00 20.14 H new ATOM 0 HE2 LYS A 34 -4.597 5.247 11.139 1.00 34.11 H new ATOM 0 HE3 LYS A 34 -3.911 5.323 9.529 1.00 34.11 H new ATOM 0 HZ1 LYS A 34 -4.514 7.507 10.328 1.00 41.30 H new ATOM 0 HZ2 LYS A 34 -5.464 7.101 8.981 1.00 41.30 H new ATOM 0 HZ3 LYS A 34 -6.129 7.027 10.542 1.00 41.30 H new ATOM 570 N LEU A 35 -4.479 2.565 4.821 1.00 12.03 N ATOM 571 CA LEU A 35 -4.511 1.136 4.477 1.00 2.12 C ATOM 572 C LEU A 35 -3.271 0.417 5.035 1.00 41.30 C ATOM 573 O LEU A 35 -2.146 0.678 4.601 1.00 72.35 O ATOM 574 CB LEU A 35 -4.565 0.964 2.947 1.00 61.51 C ATOM 575 CG LEU A 35 -5.787 1.588 2.249 1.00 31.54 C ATOM 576 CD1 LEU A 35 -5.680 1.447 0.732 1.00 44.54 C ATOM 577 CD2 LEU A 35 -7.080 0.957 2.756 1.00 31.10 C ATOM 0 H LEU A 35 -3.605 3.029 4.575 1.00 12.03 H new ATOM 0 HA LEU A 35 -5.402 0.694 4.923 1.00 2.12 H new ATOM 0 HB2 LEU A 35 -3.663 1.400 2.519 1.00 61.51 H new ATOM 0 HB3 LEU A 35 -4.544 -0.102 2.718 1.00 61.51 H new ATOM 0 HG LEU A 35 -5.806 2.651 2.491 1.00 31.54 H new ATOM 0 HD11 LEU A 35 -6.555 1.896 0.262 1.00 44.54 H new ATOM 0 HD12 LEU A 35 -4.781 1.954 0.382 1.00 44.54 H new ATOM 0 HD13 LEU A 35 -5.628 0.391 0.468 1.00 44.54 H new ATOM 0 HD21 LEU A 35 -7.931 1.413 2.249 1.00 31.10 H new ATOM 0 HD22 LEU A 35 -7.067 -0.114 2.551 1.00 31.10 H new ATOM 0 HD23 LEU A 35 -7.168 1.120 3.830 1.00 31.10 H new ATOM 589 N GLU A 36 -3.470 -0.488 5.995 1.00 11.24 N ATOM 590 CA GLU A 36 -2.349 -1.213 6.605 1.00 51.13 C ATOM 591 C GLU A 36 -2.566 -2.735 6.606 1.00 74.33 C ATOM 592 O GLU A 36 -3.692 -3.221 6.736 1.00 62.22 O ATOM 593 CB GLU A 36 -2.097 -0.716 8.037 1.00 21.42 C ATOM 594 CG GLU A 36 -3.253 -0.947 9.007 1.00 53.35 C ATOM 595 CD GLU A 36 -2.935 -0.456 10.412 1.00 34.24 C ATOM 596 OE1 GLU A 36 -3.129 0.751 10.688 1.00 44.35 O ATOM 597 OE2 GLU A 36 -2.480 -1.267 11.244 1.00 62.12 O ATOM 0 H GLU A 36 -4.387 -0.736 6.366 1.00 11.24 H new ATOM 0 HA GLU A 36 -1.471 -1.008 5.992 1.00 51.13 H new ATOM 0 HB2 GLU A 36 -1.209 -1.212 8.428 1.00 21.42 H new ATOM 0 HB3 GLU A 36 -1.877 0.351 8.003 1.00 21.42 H new ATOM 0 HG2 GLU A 36 -4.142 -0.435 8.638 1.00 53.35 H new ATOM 0 HG3 GLU A 36 -3.489 -2.011 9.041 1.00 53.35 H new ATOM 604 N CYS A 37 -1.467 -3.477 6.467 1.00 65.01 N ATOM 605 CA CYS A 37 -1.498 -4.946 6.460 1.00 52.24 C ATOM 606 C CYS A 37 -0.226 -5.535 7.086 1.00 21.43 C ATOM 607 O CYS A 37 0.749 -4.823 7.329 1.00 4.32 O ATOM 608 CB CYS A 37 -1.655 -5.467 5.028 1.00 31.53 C ATOM 609 SG CYS A 37 -0.378 -4.884 3.881 1.00 64.43 S ATOM 0 H CYS A 37 -0.533 -3.082 6.356 1.00 65.01 H new ATOM 0 HA CYS A 37 -2.353 -5.262 7.058 1.00 52.24 H new ATOM 0 HB2 CYS A 37 -1.641 -6.557 5.046 1.00 31.53 H new ATOM 0 HB3 CYS A 37 -2.632 -5.167 4.649 1.00 31.53 H new ATOM 0 HG CYS A 37 -0.597 -5.380 2.700 1.00 64.43 H new ATOM 615 N GLN A 38 -0.239 -6.843 7.341 1.00 65.12 N ATOM 616 CA GLN A 38 0.910 -7.527 7.954 1.00 34.23 C ATOM 617 C GLN A 38 1.642 -8.426 6.945 1.00 62.41 C ATOM 618 O GLN A 38 1.030 -9.284 6.304 1.00 24.03 O ATOM 619 CB GLN A 38 0.452 -8.383 9.146 1.00 42.25 C ATOM 620 CG GLN A 38 -0.221 -7.603 10.274 1.00 65.04 C ATOM 621 CD GLN A 38 0.692 -6.595 10.959 1.00 63.52 C ATOM 622 OE1 GLN A 38 0.238 -5.570 11.455 1.00 44.34 O ATOM 623 NE2 GLN A 38 1.980 -6.875 11.009 1.00 21.30 N ATOM 0 H GLN A 38 -1.029 -7.454 7.135 1.00 65.12 H new ATOM 0 HA GLN A 38 1.599 -6.754 8.294 1.00 34.23 H new ATOM 0 HB2 GLN A 38 -0.241 -9.143 8.785 1.00 42.25 H new ATOM 0 HB3 GLN A 38 1.317 -8.908 9.552 1.00 42.25 H new ATOM 0 HG2 GLN A 38 -1.088 -7.079 9.872 1.00 65.04 H new ATOM 0 HG3 GLN A 38 -0.591 -8.308 11.019 1.00 65.04 H new ATOM 0 HE21 GLN A 38 2.332 -7.735 10.588 1.00 21.30 H new ATOM 0 HE22 GLN A 38 2.624 -6.232 11.469 1.00 21.30 H new ATOM 632 N ILE A 39 2.950 -8.227 6.817 1.00 71.25 N ATOM 633 CA ILE A 39 3.799 -9.080 5.979 1.00 31.10 C ATOM 634 C ILE A 39 4.922 -9.710 6.817 1.00 54.34 C ATOM 635 O ILE A 39 5.611 -9.015 7.565 1.00 63.32 O ATOM 636 CB ILE A 39 4.437 -8.287 4.805 1.00 52.30 C ATOM 637 CG1 ILE A 39 3.350 -7.653 3.924 1.00 22.51 C ATOM 638 CG2 ILE A 39 5.347 -9.191 3.969 1.00 43.22 C ATOM 639 CD1 ILE A 39 3.897 -6.871 2.744 1.00 25.34 C ATOM 0 H ILE A 39 3.454 -7.475 7.287 1.00 71.25 H new ATOM 0 HA ILE A 39 3.157 -9.858 5.567 1.00 31.10 H new ATOM 0 HB ILE A 39 5.046 -7.488 5.228 1.00 52.30 H new ATOM 0 HG12 ILE A 39 2.692 -8.439 3.553 1.00 22.51 H new ATOM 0 HG13 ILE A 39 2.740 -6.989 4.537 1.00 22.51 H new ATOM 0 HG21 ILE A 39 5.782 -8.614 3.153 1.00 43.22 H new ATOM 0 HG22 ILE A 39 6.144 -9.588 4.599 1.00 43.22 H new ATOM 0 HG23 ILE A 39 4.764 -10.016 3.559 1.00 43.22 H new ATOM 0 HD11 ILE A 39 3.070 -6.454 2.169 1.00 25.34 H new ATOM 0 HD12 ILE A 39 4.532 -6.062 3.106 1.00 25.34 H new ATOM 0 HD13 ILE A 39 4.482 -7.535 2.108 1.00 25.34 H new ATOM 651 N SER A 40 5.098 -11.024 6.707 1.00 41.15 N ATOM 652 CA SER A 40 6.189 -11.707 7.420 1.00 45.42 C ATOM 653 C SER A 40 7.348 -12.043 6.467 1.00 2.35 C ATOM 654 O SER A 40 7.263 -12.989 5.680 1.00 25.41 O ATOM 655 CB SER A 40 5.677 -12.994 8.083 1.00 52.14 C ATOM 656 OG SER A 40 6.700 -13.629 8.839 1.00 34.53 O ATOM 0 H SER A 40 4.511 -11.636 6.140 1.00 41.15 H new ATOM 0 HA SER A 40 6.557 -11.029 8.190 1.00 45.42 H new ATOM 0 HB2 SER A 40 4.834 -12.760 8.733 1.00 52.14 H new ATOM 0 HB3 SER A 40 5.310 -13.678 7.318 1.00 52.14 H new ATOM 0 HG SER A 40 6.344 -14.444 9.250 1.00 34.53 H new ATOM 662 N ALA A 41 8.406 -11.235 6.516 1.00 51.00 N ATOM 663 CA ALA A 41 9.634 -11.483 5.745 1.00 31.12 C ATOM 664 C ALA A 41 10.887 -11.291 6.611 1.00 53.52 C ATOM 665 O ALA A 41 10.885 -10.483 7.542 1.00 4.51 O ATOM 666 CB ALA A 41 9.689 -10.558 4.542 1.00 55.31 C ATOM 0 H ALA A 41 8.441 -10.391 7.088 1.00 51.00 H new ATOM 0 HA ALA A 41 9.614 -12.519 5.405 1.00 31.12 H new ATOM 0 HB1 ALA A 41 10.602 -10.749 3.978 1.00 55.31 H new ATOM 0 HB2 ALA A 41 8.824 -10.738 3.904 1.00 55.31 H new ATOM 0 HB3 ALA A 41 9.681 -9.522 4.879 1.00 55.31 H new ATOM 672 N ILE A 42 11.961 -12.013 6.294 1.00 21.00 N ATOM 673 CA ILE A 42 13.237 -11.854 7.006 1.00 5.53 C ATOM 674 C ILE A 42 14.433 -11.933 6.034 1.00 74.33 C ATOM 675 O ILE A 42 14.741 -13.001 5.516 1.00 72.43 O ATOM 676 CB ILE A 42 13.416 -12.933 8.112 1.00 52.44 C ATOM 677 CG1 ILE A 42 12.259 -12.875 9.127 1.00 73.44 C ATOM 678 CG2 ILE A 42 14.757 -12.752 8.822 1.00 22.35 C ATOM 679 CD1 ILE A 42 12.362 -13.906 10.234 1.00 30.24 C ATOM 0 H ILE A 42 11.977 -12.713 5.552 1.00 21.00 H new ATOM 0 HA ILE A 42 13.212 -10.869 7.472 1.00 5.53 H new ATOM 0 HB ILE A 42 13.403 -13.913 7.636 1.00 52.44 H new ATOM 0 HG12 ILE A 42 12.228 -11.880 9.572 1.00 73.44 H new ATOM 0 HG13 ILE A 42 11.317 -13.017 8.598 1.00 73.44 H new ATOM 0 HG21 ILE A 42 14.866 -13.515 9.593 1.00 22.35 H new ATOM 0 HG22 ILE A 42 15.567 -12.848 8.099 1.00 22.35 H new ATOM 0 HG23 ILE A 42 14.795 -11.764 9.281 1.00 22.35 H new ATOM 0 HD11 ILE A 42 11.512 -13.802 10.908 1.00 30.24 H new ATOM 0 HD12 ILE A 42 12.361 -14.906 9.801 1.00 30.24 H new ATOM 0 HD13 ILE A 42 13.287 -13.752 10.790 1.00 30.24 H new ATOM 691 N PRO A 43 15.119 -10.807 5.745 1.00 11.31 N ATOM 692 CA PRO A 43 14.752 -9.462 6.238 1.00 63.52 C ATOM 693 C PRO A 43 13.577 -8.835 5.447 1.00 12.43 C ATOM 694 O PRO A 43 13.119 -9.403 4.453 1.00 63.52 O ATOM 695 CB PRO A 43 16.050 -8.672 6.016 1.00 63.50 C ATOM 696 CG PRO A 43 16.668 -9.305 4.816 1.00 13.34 C ATOM 697 CD PRO A 43 16.338 -10.773 4.911 1.00 31.44 C ATOM 0 HA PRO A 43 14.402 -9.472 7.270 1.00 63.52 H new ATOM 0 HB2 PRO A 43 15.848 -7.614 5.848 1.00 63.50 H new ATOM 0 HB3 PRO A 43 16.708 -8.737 6.883 1.00 63.50 H new ATOM 0 HG2 PRO A 43 16.270 -8.873 3.898 1.00 13.34 H new ATOM 0 HG3 PRO A 43 17.746 -9.147 4.802 1.00 13.34 H new ATOM 0 HD2 PRO A 43 16.162 -11.208 3.927 1.00 31.44 H new ATOM 0 HD3 PRO A 43 17.151 -11.337 5.368 1.00 31.44 H new ATOM 705 N PRO A 44 13.059 -7.661 5.882 1.00 61.01 N ATOM 706 CA PRO A 44 11.965 -6.965 5.176 1.00 42.51 C ATOM 707 C PRO A 44 12.252 -6.761 3.669 1.00 13.35 C ATOM 708 O PRO A 44 13.365 -6.404 3.279 1.00 52.03 O ATOM 709 CB PRO A 44 11.862 -5.605 5.903 1.00 71.12 C ATOM 710 CG PRO A 44 13.095 -5.512 6.744 1.00 21.11 C ATOM 711 CD PRO A 44 13.468 -6.926 7.087 1.00 31.54 C ATOM 0 HA PRO A 44 11.042 -7.545 5.203 1.00 42.51 H new ATOM 0 HB2 PRO A 44 11.809 -4.782 5.191 1.00 71.12 H new ATOM 0 HB3 PRO A 44 10.963 -5.554 6.517 1.00 71.12 H new ATOM 0 HG2 PRO A 44 13.901 -5.016 6.202 1.00 21.11 H new ATOM 0 HG3 PRO A 44 12.910 -4.927 7.645 1.00 21.11 H new ATOM 0 HD2 PRO A 44 14.535 -7.029 7.283 1.00 31.54 H new ATOM 0 HD3 PRO A 44 12.945 -7.280 7.976 1.00 31.54 H new ATOM 719 N PRO A 45 11.238 -6.969 2.804 1.00 32.40 N ATOM 720 CA PRO A 45 11.405 -6.902 1.347 1.00 71.34 C ATOM 721 C PRO A 45 11.204 -5.486 0.784 1.00 2.00 C ATOM 722 O PRO A 45 10.779 -4.580 1.500 1.00 34.15 O ATOM 723 CB PRO A 45 10.294 -7.833 0.863 1.00 42.33 C ATOM 724 CG PRO A 45 9.188 -7.645 1.854 1.00 34.33 C ATOM 725 CD PRO A 45 9.837 -7.260 3.168 1.00 73.53 C ATOM 0 HA PRO A 45 12.410 -7.178 1.027 1.00 71.34 H new ATOM 0 HB2 PRO A 45 9.971 -7.575 -0.146 1.00 42.33 H new ATOM 0 HB3 PRO A 45 10.629 -8.870 0.835 1.00 42.33 H new ATOM 0 HG2 PRO A 45 8.499 -6.869 1.521 1.00 34.33 H new ATOM 0 HG3 PRO A 45 8.607 -8.561 1.964 1.00 34.33 H new ATOM 0 HD2 PRO A 45 9.352 -6.391 3.613 1.00 73.53 H new ATOM 0 HD3 PRO A 45 9.774 -8.069 3.896 1.00 73.53 H new ATOM 733 N LYS A 46 11.511 -5.293 -0.499 1.00 73.23 N ATOM 734 CA LYS A 46 11.285 -3.995 -1.143 1.00 14.04 C ATOM 735 C LYS A 46 9.811 -3.852 -1.556 1.00 32.14 C ATOM 736 O LYS A 46 9.287 -4.666 -2.317 1.00 50.43 O ATOM 737 CB LYS A 46 12.201 -3.824 -2.365 1.00 2.51 C ATOM 738 CG LYS A 46 12.102 -2.445 -3.020 1.00 35.31 C ATOM 739 CD LYS A 46 12.502 -1.328 -2.057 1.00 53.51 C ATOM 740 CE LYS A 46 12.333 0.053 -2.682 1.00 1.43 C ATOM 741 NZ LYS A 46 12.705 1.134 -1.734 1.00 33.13 N ATOM 0 H LYS A 46 11.912 -6.007 -1.108 1.00 73.23 H new ATOM 0 HA LYS A 46 11.525 -3.212 -0.424 1.00 14.04 H new ATOM 0 HB2 LYS A 46 13.233 -3.999 -2.062 1.00 2.51 H new ATOM 0 HB3 LYS A 46 11.952 -4.586 -3.104 1.00 2.51 H new ATOM 0 HG2 LYS A 46 12.745 -2.414 -3.900 1.00 35.31 H new ATOM 0 HG3 LYS A 46 11.081 -2.279 -3.365 1.00 35.31 H new ATOM 0 HD2 LYS A 46 11.896 -1.394 -1.154 1.00 53.51 H new ATOM 0 HD3 LYS A 46 13.540 -1.465 -1.755 1.00 53.51 H new ATOM 0 HE2 LYS A 46 12.951 0.125 -3.577 1.00 1.43 H new ATOM 0 HE3 LYS A 46 11.298 0.186 -2.997 1.00 1.43 H new ATOM 0 HZ1 LYS A 46 12.577 2.058 -2.194 1.00 33.13 H new ATOM 0 HZ2 LYS A 46 12.099 1.080 -0.891 1.00 33.13 H new ATOM 0 HZ3 LYS A 46 13.700 1.022 -1.453 1.00 33.13 H new ATOM 755 N LEU A 47 9.154 -2.814 -1.044 1.00 44.23 N ATOM 756 CA LEU A 47 7.717 -2.614 -1.253 1.00 41.40 C ATOM 757 C LEU A 47 7.431 -1.716 -2.471 1.00 4.54 C ATOM 758 O LEU A 47 7.921 -0.585 -2.557 1.00 25.33 O ATOM 759 CB LEU A 47 7.100 -1.988 0.006 1.00 0.13 C ATOM 760 CG LEU A 47 7.371 -2.745 1.322 1.00 35.50 C ATOM 761 CD1 LEU A 47 6.800 -1.979 2.515 1.00 43.11 C ATOM 762 CD2 LEU A 47 6.796 -4.160 1.261 1.00 34.11 C ATOM 0 H LEU A 47 9.596 -2.091 -0.476 1.00 44.23 H new ATOM 0 HA LEU A 47 7.269 -3.588 -1.449 1.00 41.40 H new ATOM 0 HB2 LEU A 47 7.478 -0.971 0.108 1.00 0.13 H new ATOM 0 HB3 LEU A 47 6.022 -1.915 -0.136 1.00 0.13 H new ATOM 0 HG LEU A 47 8.450 -2.822 1.453 1.00 35.50 H new ATOM 0 HD11 LEU A 47 7.003 -2.531 3.433 1.00 43.11 H new ATOM 0 HD12 LEU A 47 7.266 -0.995 2.573 1.00 43.11 H new ATOM 0 HD13 LEU A 47 5.723 -1.863 2.391 1.00 43.11 H new ATOM 0 HD21 LEU A 47 6.999 -4.676 2.200 1.00 34.11 H new ATOM 0 HD22 LEU A 47 5.719 -4.109 1.100 1.00 34.11 H new ATOM 0 HD23 LEU A 47 7.260 -4.706 0.439 1.00 34.11 H new ATOM 774 N PHE A 48 6.634 -2.225 -3.407 1.00 74.34 N ATOM 775 CA PHE A 48 6.198 -1.451 -4.573 1.00 4.21 C ATOM 776 C PHE A 48 4.672 -1.282 -4.574 1.00 34.52 C ATOM 777 O PHE A 48 3.936 -2.264 -4.630 1.00 65.54 O ATOM 778 CB PHE A 48 6.628 -2.150 -5.872 1.00 70.11 C ATOM 779 CG PHE A 48 8.122 -2.299 -6.032 1.00 32.32 C ATOM 780 CD1 PHE A 48 8.889 -1.253 -6.529 1.00 43.35 C ATOM 781 CD2 PHE A 48 8.759 -3.488 -5.695 1.00 54.50 C ATOM 782 CE1 PHE A 48 10.256 -1.389 -6.685 1.00 43.04 C ATOM 783 CE2 PHE A 48 10.125 -3.626 -5.850 1.00 75.30 C ATOM 784 CZ PHE A 48 10.873 -2.577 -6.346 1.00 72.40 C ATOM 0 H PHE A 48 6.273 -3.179 -3.382 1.00 74.34 H new ATOM 0 HA PHE A 48 6.667 -0.469 -4.516 1.00 4.21 H new ATOM 0 HB2 PHE A 48 6.170 -3.139 -5.908 1.00 70.11 H new ATOM 0 HB3 PHE A 48 6.238 -1.587 -6.720 1.00 70.11 H new ATOM 0 HD1 PHE A 48 8.412 -0.322 -6.797 1.00 43.35 H new ATOM 0 HD2 PHE A 48 8.180 -4.313 -5.308 1.00 54.50 H new ATOM 0 HE1 PHE A 48 10.841 -0.567 -7.071 1.00 43.04 H new ATOM 0 HE2 PHE A 48 10.608 -4.555 -5.583 1.00 75.30 H new ATOM 0 HZ PHE A 48 11.940 -2.685 -6.469 1.00 72.40 H new ATOM 794 N TRP A 49 4.203 -0.041 -4.496 1.00 53.14 N ATOM 795 CA TRP A 49 2.767 0.247 -4.598 1.00 3.34 C ATOM 796 C TRP A 49 2.412 0.823 -5.976 1.00 72.51 C ATOM 797 O TRP A 49 2.963 1.842 -6.404 1.00 34.41 O ATOM 798 CB TRP A 49 2.325 1.223 -3.499 1.00 71.11 C ATOM 799 CG TRP A 49 2.210 0.597 -2.136 1.00 24.14 C ATOM 800 CD1 TRP A 49 3.212 0.402 -1.231 1.00 0.32 C ATOM 801 CD2 TRP A 49 1.014 0.089 -1.526 1.00 5.44 C ATOM 802 NE1 TRP A 49 2.714 -0.198 -0.097 1.00 2.33 N ATOM 803 CE2 TRP A 49 1.367 -0.399 -0.255 1.00 52.30 C ATOM 804 CE3 TRP A 49 -0.323 0.005 -1.934 1.00 53.44 C ATOM 805 CZ2 TRP A 49 0.432 -0.966 0.613 1.00 11.15 C ATOM 806 CZ3 TRP A 49 -1.247 -0.561 -1.073 1.00 34.24 C ATOM 807 CH2 TRP A 49 -0.866 -1.036 0.186 1.00 74.44 C ATOM 0 H TRP A 49 4.790 0.783 -4.363 1.00 53.14 H new ATOM 0 HA TRP A 49 2.236 -0.696 -4.468 1.00 3.34 H new ATOM 0 HB2 TRP A 49 3.037 2.047 -3.451 1.00 71.11 H new ATOM 0 HB3 TRP A 49 1.361 1.651 -3.774 1.00 71.11 H new ATOM 0 HD1 TRP A 49 4.245 0.678 -1.382 1.00 0.32 H new ATOM 0 HE1 TRP A 49 3.259 -0.452 0.727 1.00 2.33 H new ATOM 0 HE3 TRP A 49 -0.627 0.375 -2.902 1.00 53.44 H new ATOM 0 HZ2 TRP A 49 0.722 -1.336 1.585 1.00 11.15 H new ATOM 0 HZ3 TRP A 49 -2.280 -0.637 -1.379 1.00 34.24 H new ATOM 0 HH2 TRP A 49 -1.613 -1.468 0.836 1.00 74.44 H new ATOM 818 N LYS A 50 1.485 0.168 -6.668 1.00 33.11 N ATOM 819 CA LYS A 50 1.017 0.639 -7.973 1.00 33.11 C ATOM 820 C LYS A 50 -0.485 0.965 -7.935 1.00 13.10 C ATOM 821 O LYS A 50 -1.301 0.146 -7.524 1.00 24.23 O ATOM 822 CB LYS A 50 1.310 -0.421 -9.043 1.00 32.14 C ATOM 823 CG LYS A 50 0.912 -0.005 -10.455 1.00 22.33 C ATOM 824 CD LYS A 50 1.195 -1.106 -11.476 1.00 54.52 C ATOM 825 CE LYS A 50 0.379 -2.365 -11.193 1.00 33.31 C ATOM 826 NZ LYS A 50 0.599 -3.416 -12.221 1.00 73.35 N ATOM 0 H LYS A 50 1.040 -0.693 -6.348 1.00 33.11 H new ATOM 0 HA LYS A 50 1.551 1.556 -8.223 1.00 33.11 H new ATOM 0 HB2 LYS A 50 2.375 -0.651 -9.030 1.00 32.14 H new ATOM 0 HB3 LYS A 50 0.783 -1.339 -8.784 1.00 32.14 H new ATOM 0 HG2 LYS A 50 -0.149 0.244 -10.474 1.00 22.33 H new ATOM 0 HG3 LYS A 50 1.456 0.897 -10.734 1.00 22.33 H new ATOM 0 HD2 LYS A 50 0.965 -0.741 -12.477 1.00 54.52 H new ATOM 0 HD3 LYS A 50 2.257 -1.350 -11.462 1.00 54.52 H new ATOM 0 HE2 LYS A 50 0.646 -2.757 -10.212 1.00 33.31 H new ATOM 0 HE3 LYS A 50 -0.680 -2.110 -11.157 1.00 33.31 H new ATOM 0 HZ1 LYS A 50 0.026 -4.253 -11.990 1.00 73.35 H new ATOM 0 HZ2 LYS A 50 0.320 -3.052 -13.155 1.00 73.35 H new ATOM 0 HZ3 LYS A 50 1.605 -3.679 -12.239 1.00 73.35 H new ATOM 840 N ARG A 51 -0.837 2.163 -8.382 1.00 55.33 N ATOM 841 CA ARG A 51 -2.222 2.642 -8.359 1.00 42.35 C ATOM 842 C ARG A 51 -2.822 2.695 -9.770 1.00 3.54 C ATOM 843 O ARG A 51 -2.378 3.484 -10.596 1.00 20.32 O ATOM 844 CB ARG A 51 -2.248 4.049 -7.753 1.00 51.14 C ATOM 845 CG ARG A 51 -3.628 4.694 -7.710 1.00 73.23 C ATOM 846 CD ARG A 51 -3.537 6.170 -7.344 1.00 34.00 C ATOM 847 NE ARG A 51 -3.002 6.974 -8.442 1.00 5.32 N ATOM 848 CZ ARG A 51 -1.941 7.727 -8.362 1.00 53.31 C ATOM 849 NH1 ARG A 51 -1.248 7.782 -7.268 1.00 10.50 N ATOM 850 NH2 ARG A 51 -1.581 8.431 -9.382 1.00 12.41 N ATOM 0 H ARG A 51 -0.174 2.834 -8.772 1.00 55.33 H new ATOM 0 HA ARG A 51 -2.816 1.950 -7.762 1.00 42.35 H new ATOM 0 HB2 ARG A 51 -1.852 4.001 -6.739 1.00 51.14 H new ATOM 0 HB3 ARG A 51 -1.579 4.690 -8.327 1.00 51.14 H new ATOM 0 HG2 ARG A 51 -4.112 4.587 -8.681 1.00 73.23 H new ATOM 0 HG3 ARG A 51 -4.252 4.174 -6.983 1.00 73.23 H new ATOM 0 HD2 ARG A 51 -4.527 6.538 -7.074 1.00 34.00 H new ATOM 0 HD3 ARG A 51 -2.902 6.287 -6.466 1.00 34.00 H new ATOM 0 HE ARG A 51 -3.494 6.943 -9.335 1.00 5.32 H new ATOM 0 HH11 ARG A 51 -1.531 7.232 -6.457 1.00 10.50 H new ATOM 0 HH12 ARG A 51 -0.420 8.375 -7.218 1.00 10.50 H new ATOM 0 HH21 ARG A 51 -2.126 8.396 -10.244 1.00 12.41 H new ATOM 0 HH22 ARG A 51 -0.752 9.022 -9.326 1.00 12.41 H new ATOM 864 N ASN A 52 -3.835 1.869 -10.039 1.00 64.05 N ATOM 865 CA ASN A 52 -4.541 1.898 -11.335 1.00 14.24 C ATOM 866 C ASN A 52 -3.551 1.743 -12.519 1.00 25.42 C ATOM 867 O ASN A 52 -3.671 2.421 -13.541 1.00 44.13 O ATOM 868 CB ASN A 52 -5.333 3.217 -11.456 1.00 63.12 C ATOM 869 CG ASN A 52 -6.452 3.166 -12.486 1.00 12.30 C ATOM 870 OD1 ASN A 52 -6.420 2.387 -13.434 1.00 73.01 O ATOM 871 ND2 ASN A 52 -7.457 4.003 -12.306 1.00 1.30 N ATOM 0 H ASN A 52 -4.189 1.172 -9.384 1.00 64.05 H new ATOM 0 HA ASN A 52 -5.232 1.056 -11.377 1.00 14.24 H new ATOM 0 HB2 ASN A 52 -5.757 3.466 -10.483 1.00 63.12 H new ATOM 0 HB3 ASN A 52 -4.645 4.021 -11.719 1.00 63.12 H new ATOM 0 HD21 ASN A 52 -8.236 4.014 -12.965 1.00 1.30 H new ATOM 0 HD22 ASN A 52 -7.455 4.638 -11.508 1.00 1.30 H new ATOM 878 N ASN A 53 -2.580 0.833 -12.364 1.00 21.31 N ATOM 879 CA ASN A 53 -1.515 0.615 -13.367 1.00 15.53 C ATOM 880 C ASN A 53 -0.565 1.826 -13.481 1.00 32.32 C ATOM 881 O ASN A 53 0.166 1.973 -14.467 1.00 51.43 O ATOM 882 CB ASN A 53 -2.102 0.269 -14.743 1.00 11.31 C ATOM 883 CG ASN A 53 -2.865 -1.042 -14.736 1.00 10.41 C ATOM 884 OD1 ASN A 53 -2.565 -1.950 -13.968 1.00 5.01 O ATOM 885 ND2 ASN A 53 -3.842 -1.160 -15.606 1.00 24.32 N ATOM 0 H ASN A 53 -2.506 0.228 -11.547 1.00 21.31 H new ATOM 0 HA ASN A 53 -0.930 -0.235 -13.016 1.00 15.53 H new ATOM 0 HB2 ASN A 53 -2.767 1.071 -15.063 1.00 11.31 H new ATOM 0 HB3 ASN A 53 -1.296 0.213 -15.475 1.00 11.31 H new ATOM 0 HD21 ASN A 53 -4.377 -2.027 -15.657 1.00 24.32 H new ATOM 0 HD22 ASN A 53 -4.065 -0.385 -16.230 1.00 24.32 H new ATOM 892 N GLU A 54 -0.564 2.673 -12.456 1.00 32.51 N ATOM 893 CA GLU A 54 0.342 3.828 -12.386 1.00 72.24 C ATOM 894 C GLU A 54 1.274 3.719 -11.169 1.00 10.32 C ATOM 895 O GLU A 54 0.839 3.351 -10.082 1.00 21.43 O ATOM 896 CB GLU A 54 -0.462 5.133 -12.298 1.00 1.13 C ATOM 897 CG GLU A 54 -1.375 5.386 -13.494 1.00 21.04 C ATOM 898 CD GLU A 54 -2.161 6.683 -13.369 1.00 5.23 C ATOM 899 OE1 GLU A 54 -1.551 7.767 -13.510 1.00 1.33 O ATOM 900 OE2 GLU A 54 -3.386 6.632 -13.126 1.00 61.24 O ATOM 0 H GLU A 54 -1.185 2.584 -11.652 1.00 32.51 H new ATOM 0 HA GLU A 54 0.946 3.836 -13.293 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -1.066 5.114 -11.391 1.00 1.13 H new ATOM 0 HB3 GLU A 54 0.232 5.968 -12.201 1.00 1.13 H new ATOM 0 HG2 GLU A 54 -0.775 5.416 -14.404 1.00 21.04 H new ATOM 0 HG3 GLU A 54 -2.070 4.553 -13.598 1.00 21.04 H new ATOM 907 N MET A 55 2.552 4.038 -11.350 1.00 30.13 N ATOM 908 CA MET A 55 3.523 3.993 -10.246 1.00 42.31 C ATOM 909 C MET A 55 3.259 5.130 -9.239 1.00 13.13 C ATOM 910 O MET A 55 3.125 6.293 -9.623 1.00 33.33 O ATOM 911 CB MET A 55 4.955 4.097 -10.801 1.00 12.14 C ATOM 912 CG MET A 55 6.065 3.822 -9.783 1.00 42.41 C ATOM 913 SD MET A 55 6.541 2.077 -9.686 1.00 75.14 S ATOM 914 CE MET A 55 5.105 1.322 -8.924 1.00 14.50 C ATOM 0 H MET A 55 2.945 4.330 -12.245 1.00 30.13 H new ATOM 0 HA MET A 55 3.410 3.042 -9.725 1.00 42.31 H new ATOM 0 HB2 MET A 55 5.060 3.395 -11.629 1.00 12.14 H new ATOM 0 HB3 MET A 55 5.098 5.097 -11.211 1.00 12.14 H new ATOM 0 HG2 MET A 55 6.941 4.415 -10.044 1.00 42.41 H new ATOM 0 HG3 MET A 55 5.735 4.156 -8.799 1.00 42.41 H new ATOM 0 HE1 MET A 55 5.411 0.435 -8.369 1.00 14.50 H new ATOM 0 HE2 MET A 55 4.639 2.033 -8.242 1.00 14.50 H new ATOM 0 HE3 MET A 55 4.390 1.038 -9.696 1.00 14.50 H new ATOM 924 N VAL A 56 3.180 4.794 -7.952 1.00 0.22 N ATOM 925 CA VAL A 56 2.900 5.793 -6.907 1.00 53.03 C ATOM 926 C VAL A 56 4.178 6.527 -6.454 1.00 75.40 C ATOM 927 O VAL A 56 5.215 5.905 -6.211 1.00 53.54 O ATOM 928 CB VAL A 56 2.223 5.138 -5.672 1.00 42.31 C ATOM 929 CG1 VAL A 56 1.897 6.183 -4.603 1.00 63.40 C ATOM 930 CG2 VAL A 56 0.966 4.377 -6.089 1.00 41.00 C ATOM 0 H VAL A 56 3.304 3.844 -7.603 1.00 0.22 H new ATOM 0 HA VAL A 56 2.220 6.521 -7.349 1.00 53.03 H new ATOM 0 HB VAL A 56 2.927 4.427 -5.239 1.00 42.31 H new ATOM 0 HG11 VAL A 56 1.424 5.696 -3.750 1.00 63.40 H new ATOM 0 HG12 VAL A 56 2.816 6.670 -4.278 1.00 63.40 H new ATOM 0 HG13 VAL A 56 1.218 6.928 -5.018 1.00 63.40 H new ATOM 0 HG21 VAL A 56 0.506 3.925 -5.210 1.00 41.00 H new ATOM 0 HG22 VAL A 56 0.261 5.066 -6.554 1.00 41.00 H new ATOM 0 HG23 VAL A 56 1.233 3.596 -6.801 1.00 41.00 H new ATOM 940 N GLN A 57 4.096 7.856 -6.347 1.00 21.31 N ATOM 941 CA GLN A 57 5.224 8.671 -5.869 1.00 73.34 C ATOM 942 C GLN A 57 5.024 9.113 -4.411 1.00 41.14 C ATOM 943 O GLN A 57 4.014 9.725 -4.066 1.00 33.43 O ATOM 944 CB GLN A 57 5.427 9.898 -6.768 1.00 51.15 C ATOM 945 CG GLN A 57 5.921 9.559 -8.169 1.00 11.54 C ATOM 946 CD GLN A 57 6.253 10.793 -8.990 1.00 70.21 C ATOM 947 OE1 GLN A 57 5.411 11.332 -9.700 1.00 34.25 O ATOM 948 NE2 GLN A 57 7.482 11.259 -8.889 1.00 4.53 N ATOM 0 H GLN A 57 3.262 8.393 -6.584 1.00 21.31 H new ATOM 0 HA GLN A 57 6.117 8.048 -5.914 1.00 73.34 H new ATOM 0 HB2 GLN A 57 4.484 10.439 -6.846 1.00 51.15 H new ATOM 0 HB3 GLN A 57 6.142 10.570 -6.293 1.00 51.15 H new ATOM 0 HG2 GLN A 57 6.807 8.929 -8.094 1.00 11.54 H new ATOM 0 HG3 GLN A 57 5.159 8.977 -8.687 1.00 11.54 H new ATOM 0 HE21 GLN A 57 8.159 10.787 -8.289 1.00 4.53 H new ATOM 0 HE22 GLN A 57 7.756 12.092 -9.410 1.00 4.53 H new ATOM 957 N PHE A 58 6.008 8.816 -3.566 1.00 2.45 N ATOM 958 CA PHE A 58 5.911 9.087 -2.123 1.00 1.43 C ATOM 959 C PHE A 58 6.651 10.379 -1.722 1.00 35.33 C ATOM 960 O PHE A 58 7.036 10.549 -0.565 1.00 13.33 O ATOM 961 CB PHE A 58 6.478 7.888 -1.347 1.00 12.02 C ATOM 962 CG PHE A 58 5.839 6.575 -1.730 1.00 62.02 C ATOM 963 CD1 PHE A 58 4.621 6.197 -1.185 1.00 65.22 C ATOM 964 CD2 PHE A 58 6.452 5.725 -2.641 1.00 65.55 C ATOM 965 CE1 PHE A 58 4.028 5.001 -1.540 1.00 10.12 C ATOM 966 CE2 PHE A 58 5.863 4.527 -2.997 1.00 71.52 C ATOM 967 CZ PHE A 58 4.648 4.165 -2.446 1.00 52.24 C ATOM 0 H PHE A 58 6.888 8.386 -3.851 1.00 2.45 H new ATOM 0 HA PHE A 58 4.860 9.232 -1.875 1.00 1.43 H new ATOM 0 HB2 PHE A 58 7.552 7.826 -1.521 1.00 12.02 H new ATOM 0 HB3 PHE A 58 6.337 8.055 -0.279 1.00 12.02 H new ATOM 0 HD1 PHE A 58 4.130 6.846 -0.474 1.00 65.22 H new ATOM 0 HD2 PHE A 58 7.400 6.004 -3.076 1.00 65.55 H new ATOM 0 HE1 PHE A 58 3.079 4.720 -1.108 1.00 10.12 H new ATOM 0 HE2 PHE A 58 6.351 3.874 -3.705 1.00 71.52 H new ATOM 0 HZ PHE A 58 4.185 3.230 -2.724 1.00 52.24 H new ATOM 977 N ASN A 59 6.836 11.295 -2.675 1.00 74.31 N ATOM 978 CA ASN A 59 7.558 12.557 -2.413 1.00 35.01 C ATOM 979 C ASN A 59 6.601 13.731 -2.126 1.00 42.42 C ATOM 980 O ASN A 59 7.041 14.864 -1.907 1.00 62.10 O ATOM 981 CB ASN A 59 8.457 12.900 -3.605 1.00 62.10 C ATOM 982 CG ASN A 59 7.673 13.043 -4.895 1.00 55.21 C ATOM 983 OD1 ASN A 59 7.456 12.074 -5.611 1.00 3.31 O ATOM 984 ND2 ASN A 59 7.241 14.249 -5.201 1.00 61.43 N ATOM 0 H ASN A 59 6.500 11.194 -3.633 1.00 74.31 H new ATOM 0 HA ASN A 59 8.165 12.405 -1.520 1.00 35.01 H new ATOM 0 HB2 ASN A 59 8.989 13.829 -3.401 1.00 62.10 H new ATOM 0 HB3 ASN A 59 9.210 12.122 -3.725 1.00 62.10 H new ATOM 0 HD21 ASN A 59 6.708 14.398 -6.058 1.00 61.43 H new ATOM 0 HD22 ASN A 59 7.440 15.034 -4.581 1.00 61.43 H new ATOM 991 N THR A 60 5.299 13.462 -2.126 1.00 2.04 N ATOM 992 CA THR A 60 4.288 14.509 -1.899 1.00 32.01 C ATOM 993 C THR A 60 3.656 14.409 -0.505 1.00 73.05 C ATOM 994 O THR A 60 3.729 13.373 0.153 1.00 43.41 O ATOM 995 CB THR A 60 3.161 14.457 -2.959 1.00 63.42 C ATOM 996 OG1 THR A 60 2.113 15.379 -2.610 1.00 72.32 O ATOM 997 CG2 THR A 60 2.584 13.050 -3.088 1.00 32.12 C ATOM 0 H THR A 60 4.912 12.531 -2.280 1.00 2.04 H new ATOM 0 HA THR A 60 4.819 15.457 -1.981 1.00 32.01 H new ATOM 0 HB THR A 60 3.592 14.739 -3.919 1.00 63.42 H new ATOM 0 HG1 THR A 60 1.405 15.341 -3.287 1.00 72.32 H new ATOM 0 HG21 THR A 60 1.795 13.048 -3.840 1.00 32.12 H new ATOM 0 HG22 THR A 60 3.372 12.359 -3.387 1.00 32.12 H new ATOM 0 HG23 THR A 60 2.172 12.736 -2.129 1.00 32.12 H new ATOM 1005 N ASP A 61 3.028 15.494 -0.064 1.00 71.25 N ATOM 1006 CA ASP A 61 2.321 15.519 1.219 1.00 12.22 C ATOM 1007 C ASP A 61 1.060 14.644 1.149 1.00 33.33 C ATOM 1008 O ASP A 61 0.584 14.126 2.162 1.00 60.52 O ATOM 1009 CB ASP A 61 1.952 16.967 1.574 1.00 24.55 C ATOM 1010 CG ASP A 61 1.297 17.098 2.939 1.00 10.44 C ATOM 1011 OD1 ASP A 61 2.028 17.141 3.950 1.00 52.13 O ATOM 1012 OD2 ASP A 61 0.051 17.173 3.009 1.00 3.21 O ATOM 0 H ASP A 61 2.992 16.375 -0.577 1.00 71.25 H new ATOM 0 HA ASP A 61 2.972 15.118 1.996 1.00 12.22 H new ATOM 0 HB2 ASP A 61 2.852 17.581 1.549 1.00 24.55 H new ATOM 0 HB3 ASP A 61 1.276 17.360 0.814 1.00 24.55 H new ATOM 1017 N ARG A 62 0.545 14.470 -0.068 1.00 1.53 N ATOM 1018 CA ARG A 62 -0.658 13.665 -0.310 1.00 4.03 C ATOM 1019 C ARG A 62 -0.399 12.158 -0.159 1.00 43.10 C ATOM 1020 O ARG A 62 -1.322 11.391 0.100 1.00 0.13 O ATOM 1021 CB ARG A 62 -1.196 13.951 -1.716 1.00 52.13 C ATOM 1022 CG ARG A 62 -1.773 15.350 -1.879 1.00 53.20 C ATOM 1023 CD ARG A 62 -2.187 15.619 -3.320 1.00 61.41 C ATOM 1024 NE ARG A 62 -3.021 16.811 -3.432 1.00 12.21 N ATOM 1025 CZ ARG A 62 -2.718 17.868 -4.130 1.00 51.21 C ATOM 1026 NH1 ARG A 62 -1.579 17.961 -4.737 1.00 13.25 N ATOM 1027 NH2 ARG A 62 -3.556 18.846 -4.206 1.00 51.51 N ATOM 0 H ARG A 62 0.946 14.880 -0.912 1.00 1.53 H new ATOM 0 HA ARG A 62 -1.392 13.948 0.444 1.00 4.03 H new ATOM 0 HB2 ARG A 62 -0.391 13.813 -2.438 1.00 52.13 H new ATOM 0 HB3 ARG A 62 -1.968 13.219 -1.956 1.00 52.13 H new ATOM 0 HG2 ARG A 62 -2.636 15.467 -1.224 1.00 53.20 H new ATOM 0 HG3 ARG A 62 -1.034 16.088 -1.568 1.00 53.20 H new ATOM 0 HD2 ARG A 62 -1.297 15.739 -3.937 1.00 61.41 H new ATOM 0 HD3 ARG A 62 -2.730 14.758 -3.709 1.00 61.41 H new ATOM 0 HE ARG A 62 -3.907 16.817 -2.926 1.00 12.21 H new ATOM 0 HH11 ARG A 62 -0.903 17.200 -4.673 1.00 13.25 H new ATOM 0 HH12 ARG A 62 -1.357 18.796 -5.280 1.00 13.25 H new ATOM 0 HH21 ARG A 62 -4.451 18.789 -3.721 1.00 51.51 H new ATOM 0 HH22 ARG A 62 -3.323 19.676 -4.751 1.00 51.51 H new ATOM 1041 N ILE A 63 0.846 11.731 -0.334 1.00 42.35 N ATOM 1042 CA ILE A 63 1.180 10.302 -0.263 1.00 2.31 C ATOM 1043 C ILE A 63 2.333 10.048 0.719 1.00 20.31 C ATOM 1044 O ILE A 63 3.412 10.628 0.593 1.00 25.34 O ATOM 1045 CB ILE A 63 1.573 9.740 -1.656 1.00 75.20 C ATOM 1046 CG1 ILE A 63 0.442 9.961 -2.679 1.00 74.41 C ATOM 1047 CG2 ILE A 63 1.924 8.255 -1.559 1.00 11.31 C ATOM 1048 CD1 ILE A 63 -0.858 9.264 -2.327 1.00 30.11 C ATOM 0 H ILE A 63 1.639 12.343 -0.525 1.00 42.35 H new ATOM 0 HA ILE A 63 0.285 9.789 0.090 1.00 2.31 H new ATOM 0 HB ILE A 63 2.454 10.282 -2.001 1.00 75.20 H new ATOM 0 HG12 ILE A 63 0.254 11.031 -2.771 1.00 74.41 H new ATOM 0 HG13 ILE A 63 0.777 9.611 -3.655 1.00 74.41 H new ATOM 0 HG21 ILE A 63 2.197 7.880 -2.546 1.00 11.31 H new ATOM 0 HG22 ILE A 63 2.763 8.123 -0.876 1.00 11.31 H new ATOM 0 HG23 ILE A 63 1.063 7.701 -1.186 1.00 11.31 H new ATOM 0 HD11 ILE A 63 -1.601 9.470 -3.097 1.00 30.11 H new ATOM 0 HD12 ILE A 63 -0.689 8.189 -2.264 1.00 30.11 H new ATOM 0 HD13 ILE A 63 -1.219 9.631 -1.366 1.00 30.11 H new ATOM 1060 N SER A 64 2.101 9.167 1.689 1.00 10.21 N ATOM 1061 CA SER A 64 3.126 8.816 2.679 1.00 34.41 C ATOM 1062 C SER A 64 3.063 7.325 3.038 1.00 24.24 C ATOM 1063 O SER A 64 2.007 6.800 3.388 1.00 34.02 O ATOM 1064 CB SER A 64 2.966 9.672 3.946 1.00 52.03 C ATOM 1065 OG SER A 64 3.063 11.061 3.646 1.00 22.53 O ATOM 0 H SER A 64 1.213 8.681 1.814 1.00 10.21 H new ATOM 0 HA SER A 64 4.101 9.019 2.236 1.00 34.41 H new ATOM 0 HB2 SER A 64 2.001 9.464 4.409 1.00 52.03 H new ATOM 0 HB3 SER A 64 3.733 9.400 4.671 1.00 52.03 H new ATOM 0 HG SER A 64 2.956 11.582 4.469 1.00 22.53 H new ATOM 1071 N LEU A 65 4.203 6.647 2.953 1.00 43.23 N ATOM 1072 CA LEU A 65 4.280 5.206 3.224 1.00 13.30 C ATOM 1073 C LEU A 65 5.329 4.896 4.301 1.00 10.23 C ATOM 1074 O LEU A 65 6.484 5.310 4.194 1.00 53.44 O ATOM 1075 CB LEU A 65 4.633 4.448 1.934 1.00 3.32 C ATOM 1076 CG LEU A 65 4.801 2.922 2.077 1.00 23.21 C ATOM 1077 CD1 LEU A 65 3.475 2.256 2.440 1.00 23.23 C ATOM 1078 CD2 LEU A 65 5.377 2.320 0.796 1.00 4.51 C ATOM 0 H LEU A 65 5.095 7.071 2.697 1.00 43.23 H new ATOM 0 HA LEU A 65 3.305 4.882 3.589 1.00 13.30 H new ATOM 0 HB2 LEU A 65 3.854 4.641 1.197 1.00 3.32 H new ATOM 0 HB3 LEU A 65 5.559 4.861 1.534 1.00 3.32 H new ATOM 0 HG LEU A 65 5.504 2.735 2.889 1.00 23.21 H new ATOM 0 HD11 LEU A 65 3.622 1.180 2.535 1.00 23.23 H new ATOM 0 HD12 LEU A 65 3.113 2.657 3.387 1.00 23.23 H new ATOM 0 HD13 LEU A 65 2.742 2.455 1.658 1.00 23.23 H new ATOM 0 HD21 LEU A 65 5.488 1.243 0.918 1.00 4.51 H new ATOM 0 HD22 LEU A 65 4.704 2.524 -0.037 1.00 4.51 H new ATOM 0 HD23 LEU A 65 6.351 2.764 0.591 1.00 4.51 H new ATOM 1090 N TYR A 66 4.928 4.154 5.331 1.00 10.34 N ATOM 1091 CA TYR A 66 5.862 3.699 6.366 1.00 15.12 C ATOM 1092 C TYR A 66 5.589 2.235 6.729 1.00 52.44 C ATOM 1093 O TYR A 66 4.485 1.726 6.510 1.00 64.35 O ATOM 1094 CB TYR A 66 5.784 4.591 7.621 1.00 40.55 C ATOM 1095 CG TYR A 66 4.529 4.410 8.466 1.00 50.35 C ATOM 1096 CD1 TYR A 66 4.497 3.477 9.501 1.00 21.41 C ATOM 1097 CD2 TYR A 66 3.388 5.176 8.244 1.00 25.32 C ATOM 1098 CE1 TYR A 66 3.371 3.314 10.284 1.00 12.33 C ATOM 1099 CE2 TYR A 66 2.256 5.016 9.026 1.00 13.12 C ATOM 1100 CZ TYR A 66 2.254 4.085 10.045 1.00 3.55 C ATOM 1101 OH TYR A 66 1.128 3.919 10.825 1.00 34.22 O ATOM 0 H TYR A 66 3.964 3.854 5.474 1.00 10.34 H new ATOM 0 HA TYR A 66 6.872 3.776 5.963 1.00 15.12 H new ATOM 0 HB2 TYR A 66 6.655 4.391 8.245 1.00 40.55 H new ATOM 0 HB3 TYR A 66 5.847 5.634 7.311 1.00 40.55 H new ATOM 0 HD1 TYR A 66 5.369 2.870 9.694 1.00 21.41 H new ATOM 0 HD2 TYR A 66 3.385 5.907 7.449 1.00 25.32 H new ATOM 0 HE1 TYR A 66 3.366 2.585 11.081 1.00 12.33 H new ATOM 0 HE2 TYR A 66 1.379 5.617 8.839 1.00 13.12 H new ATOM 0 HH TYR A 66 0.430 4.539 10.528 1.00 34.22 H new ATOM 1111 N GLN A 67 6.595 1.555 7.269 1.00 43.44 N ATOM 1112 CA GLN A 67 6.446 0.153 7.666 1.00 4.44 C ATOM 1113 C GLN A 67 7.042 -0.099 9.060 1.00 61.25 C ATOM 1114 O GLN A 67 8.123 0.391 9.391 1.00 34.31 O ATOM 1115 CB GLN A 67 7.079 -0.776 6.612 1.00 2.43 C ATOM 1116 CG GLN A 67 8.588 -0.603 6.420 1.00 72.21 C ATOM 1117 CD GLN A 67 9.395 -1.741 7.035 1.00 75.14 C ATOM 1118 OE1 GLN A 67 9.831 -1.676 8.180 1.00 63.52 O ATOM 1119 NE2 GLN A 67 9.586 -2.802 6.277 1.00 12.35 N ATOM 0 H GLN A 67 7.520 1.947 7.443 1.00 43.44 H new ATOM 0 HA GLN A 67 5.381 -0.072 7.723 1.00 4.44 H new ATOM 0 HB2 GLN A 67 6.880 -1.810 6.894 1.00 2.43 H new ATOM 0 HB3 GLN A 67 6.584 -0.606 5.656 1.00 2.43 H new ATOM 0 HG2 GLN A 67 8.810 -0.541 5.355 1.00 72.21 H new ATOM 0 HG3 GLN A 67 8.901 0.341 6.866 1.00 72.21 H new ATOM 0 HE21 GLN A 67 9.211 -2.826 5.329 1.00 12.35 H new ATOM 0 HE22 GLN A 67 10.109 -3.600 6.639 1.00 12.35 H new ATOM 1128 N ASP A 68 6.313 -0.852 9.876 1.00 35.01 N ATOM 1129 CA ASP A 68 6.738 -1.155 11.241 1.00 24.52 C ATOM 1130 C ASP A 68 7.807 -2.265 11.246 1.00 53.23 C ATOM 1131 O ASP A 68 7.878 -3.078 10.320 1.00 24.02 O ATOM 1132 CB ASP A 68 5.507 -1.584 12.057 1.00 72.40 C ATOM 1133 CG ASP A 68 5.748 -1.597 13.559 1.00 25.13 C ATOM 1134 OD1 ASP A 68 6.554 -2.422 14.032 1.00 64.22 O ATOM 1135 OD2 ASP A 68 5.113 -0.800 14.276 1.00 41.22 O ATOM 0 H ASP A 68 5.419 -1.267 9.615 1.00 35.01 H new ATOM 0 HA ASP A 68 7.184 -0.267 11.690 1.00 24.52 H new ATOM 0 HB2 ASP A 68 4.681 -0.908 11.836 1.00 72.40 H new ATOM 0 HB3 ASP A 68 5.199 -2.580 11.738 1.00 72.40 H new ATOM 1140 N ASN A 69 8.603 -2.323 12.313 1.00 15.01 N ATOM 1141 CA ASN A 69 9.680 -3.315 12.430 1.00 61.24 C ATOM 1142 C ASN A 69 9.124 -4.741 12.605 1.00 2.14 C ATOM 1143 O ASN A 69 9.853 -5.724 12.466 1.00 12.00 O ATOM 1144 CB ASN A 69 10.598 -2.952 13.602 1.00 52.24 C ATOM 1145 CG ASN A 69 11.243 -1.588 13.420 1.00 21.41 C ATOM 1146 OD1 ASN A 69 10.688 -0.569 13.811 1.00 4.41 O ATOM 1147 ND2 ASN A 69 12.417 -1.554 12.823 1.00 23.21 N ATOM 0 H ASN A 69 8.525 -1.695 13.113 1.00 15.01 H new ATOM 0 HA ASN A 69 10.254 -3.299 11.504 1.00 61.24 H new ATOM 0 HB2 ASN A 69 10.024 -2.960 14.528 1.00 52.24 H new ATOM 0 HB3 ASN A 69 11.375 -3.710 13.702 1.00 52.24 H new ATOM 0 HD21 ASN A 69 12.889 -0.662 12.676 1.00 23.21 H new ATOM 0 HD22 ASN A 69 12.854 -2.420 12.508 1.00 23.21 H new ATOM 1154 N THR A 70 7.833 -4.846 12.925 1.00 11.22 N ATOM 1155 CA THR A 70 7.152 -6.151 12.992 1.00 24.21 C ATOM 1156 C THR A 70 6.872 -6.706 11.587 1.00 51.15 C ATOM 1157 O THR A 70 6.720 -7.917 11.399 1.00 3.45 O ATOM 1158 CB THR A 70 5.812 -6.070 13.770 1.00 51.43 C ATOM 1159 OG1 THR A 70 5.226 -7.375 13.887 1.00 41.22 O ATOM 1160 CG2 THR A 70 4.822 -5.133 13.080 1.00 43.23 C ATOM 0 H THR A 70 7.235 -4.049 13.142 1.00 11.22 H new ATOM 0 HA THR A 70 7.829 -6.820 13.524 1.00 24.21 H new ATOM 0 HB THR A 70 6.031 -5.674 14.762 1.00 51.43 H new ATOM 0 HG1 THR A 70 4.382 -7.311 14.381 1.00 41.22 H new ATOM 0 HG21 THR A 70 3.894 -5.099 13.651 1.00 43.23 H new ATOM 0 HG22 THR A 70 5.249 -4.132 13.022 1.00 43.23 H new ATOM 0 HG23 THR A 70 4.616 -5.498 12.074 1.00 43.23 H new ATOM 1168 N GLY A 71 6.835 -5.813 10.597 1.00 62.23 N ATOM 1169 CA GLY A 71 6.503 -6.204 9.229 1.00 72.43 C ATOM 1170 C GLY A 71 5.164 -5.643 8.751 1.00 44.25 C ATOM 1171 O GLY A 71 4.581 -6.140 7.790 1.00 13.24 O ATOM 0 H GLY A 71 7.030 -4.819 10.717 1.00 62.23 H new ATOM 0 HA2 GLY A 71 7.292 -5.863 8.559 1.00 72.43 H new ATOM 0 HA3 GLY A 71 6.478 -7.292 9.165 1.00 72.43 H new ATOM 1175 N ARG A 72 4.674 -4.599 9.421 1.00 54.12 N ATOM 1176 CA ARG A 72 3.389 -3.987 9.058 1.00 54.51 C ATOM 1177 C ARG A 72 3.580 -2.880 8.013 1.00 31.10 C ATOM 1178 O ARG A 72 4.296 -1.912 8.252 1.00 4.52 O ATOM 1179 CB ARG A 72 2.703 -3.386 10.293 1.00 72.34 C ATOM 1180 CG ARG A 72 1.266 -2.931 10.031 1.00 24.51 C ATOM 1181 CD ARG A 72 0.712 -2.077 11.168 1.00 20.43 C ATOM 1182 NE ARG A 72 1.181 -0.691 11.103 1.00 74.23 N ATOM 1183 CZ ARG A 72 1.771 -0.061 12.082 1.00 45.40 C ATOM 1184 NH1 ARG A 72 2.062 -0.665 13.189 1.00 60.41 N ATOM 1185 NH2 ARG A 72 2.077 1.185 11.949 1.00 43.30 N ATOM 0 H ARG A 72 5.142 -4.160 10.214 1.00 54.12 H new ATOM 0 HA ARG A 72 2.764 -4.775 8.639 1.00 54.51 H new ATOM 0 HB2 ARG A 72 2.701 -4.125 11.094 1.00 72.34 H new ATOM 0 HB3 ARG A 72 3.287 -2.536 10.645 1.00 72.34 H new ATOM 0 HG2 ARG A 72 1.231 -2.362 9.102 1.00 24.51 H new ATOM 0 HG3 ARG A 72 0.630 -3.805 9.893 1.00 24.51 H new ATOM 0 HD2 ARG A 72 -0.377 -2.091 11.132 1.00 20.43 H new ATOM 0 HD3 ARG A 72 1.006 -2.513 12.123 1.00 20.43 H new ATOM 0 HE ARG A 72 1.036 -0.182 10.231 1.00 74.23 H new ATOM 0 HH11 ARG A 72 1.830 -1.651 13.308 1.00 60.41 H new ATOM 0 HH12 ARG A 72 2.523 -0.155 13.942 1.00 60.41 H new ATOM 0 HH21 ARG A 72 1.858 1.674 11.081 1.00 43.30 H new ATOM 0 HH22 ARG A 72 2.538 1.681 12.712 1.00 43.30 H new ATOM 1199 N VAL A 73 2.923 -3.015 6.867 1.00 21.41 N ATOM 1200 CA VAL A 73 2.960 -1.980 5.829 1.00 72.35 C ATOM 1201 C VAL A 73 1.752 -1.046 5.972 1.00 73.20 C ATOM 1202 O VAL A 73 0.620 -1.507 6.095 1.00 51.53 O ATOM 1203 CB VAL A 73 2.964 -2.604 4.411 1.00 65.21 C ATOM 1204 CG1 VAL A 73 3.037 -1.522 3.332 1.00 54.22 C ATOM 1205 CG2 VAL A 73 4.116 -3.599 4.265 1.00 12.30 C ATOM 0 H VAL A 73 2.357 -3.829 6.629 1.00 21.41 H new ATOM 0 HA VAL A 73 3.881 -1.412 5.959 1.00 72.35 H new ATOM 0 HB VAL A 73 2.026 -3.143 4.277 1.00 65.21 H new ATOM 0 HG11 VAL A 73 3.038 -1.990 2.347 1.00 54.22 H new ATOM 0 HG12 VAL A 73 2.174 -0.862 3.419 1.00 54.22 H new ATOM 0 HG13 VAL A 73 3.951 -0.942 3.459 1.00 54.22 H new ATOM 0 HG21 VAL A 73 4.102 -4.027 3.263 1.00 12.30 H new ATOM 0 HG22 VAL A 73 5.063 -3.085 4.427 1.00 12.30 H new ATOM 0 HG23 VAL A 73 4.004 -4.395 5.001 1.00 12.30 H new ATOM 1215 N THR A 74 1.992 0.264 5.978 1.00 14.12 N ATOM 1216 CA THR A 74 0.909 1.240 6.172 1.00 3.20 C ATOM 1217 C THR A 74 1.000 2.412 5.182 1.00 23.35 C ATOM 1218 O THR A 74 1.946 3.203 5.222 1.00 3.02 O ATOM 1219 CB THR A 74 0.914 1.796 7.618 1.00 1.24 C ATOM 1220 OG1 THR A 74 0.825 0.715 8.565 1.00 50.14 O ATOM 1221 CG2 THR A 74 -0.247 2.762 7.840 1.00 2.33 C ATOM 0 H THR A 74 2.916 0.676 5.852 1.00 14.12 H new ATOM 0 HA THR A 74 -0.023 0.706 5.988 1.00 3.20 H new ATOM 0 HB THR A 74 1.849 2.336 7.766 1.00 1.24 H new ATOM 0 HG1 THR A 74 1.614 0.140 8.481 1.00 50.14 H new ATOM 0 HG21 THR A 74 -0.218 3.136 8.863 1.00 2.33 H new ATOM 0 HG22 THR A 74 -0.163 3.598 7.145 1.00 2.33 H new ATOM 0 HG23 THR A 74 -1.190 2.243 7.670 1.00 2.33 H new ATOM 1229 N LEU A 75 0.009 2.511 4.295 1.00 61.14 N ATOM 1230 CA LEU A 75 -0.053 3.586 3.295 1.00 72.45 C ATOM 1231 C LEU A 75 -1.092 4.652 3.686 1.00 25.21 C ATOM 1232 O LEU A 75 -2.261 4.340 3.930 1.00 71.21 O ATOM 1233 CB LEU A 75 -0.398 3.000 1.916 1.00 14.15 C ATOM 1234 CG LEU A 75 -0.445 4.013 0.756 1.00 44.53 C ATOM 1235 CD1 LEU A 75 0.911 4.691 0.567 1.00 44.04 C ATOM 1236 CD2 LEU A 75 -0.895 3.335 -0.539 1.00 44.42 C ATOM 0 H LEU A 75 -0.770 1.855 4.246 1.00 61.14 H new ATOM 0 HA LEU A 75 0.925 4.065 3.252 1.00 72.45 H new ATOM 0 HB2 LEU A 75 0.336 2.231 1.674 1.00 14.15 H new ATOM 0 HB3 LEU A 75 -1.367 2.506 1.983 1.00 14.15 H new ATOM 0 HG LEU A 75 -1.175 4.782 1.011 1.00 44.53 H new ATOM 0 HD11 LEU A 75 0.851 5.401 -0.258 1.00 44.04 H new ATOM 0 HD12 LEU A 75 1.185 5.218 1.481 1.00 44.04 H new ATOM 0 HD13 LEU A 75 1.666 3.938 0.343 1.00 44.04 H new ATOM 0 HD21 LEU A 75 -0.921 4.069 -1.344 1.00 44.42 H new ATOM 0 HD22 LEU A 75 -0.195 2.540 -0.795 1.00 44.42 H new ATOM 0 HD23 LEU A 75 -1.890 2.912 -0.402 1.00 44.42 H new ATOM 1248 N LEU A 76 -0.655 5.909 3.744 1.00 24.11 N ATOM 1249 CA LEU A 76 -1.531 7.035 4.098 1.00 52.41 C ATOM 1250 C LEU A 76 -1.745 7.966 2.893 1.00 42.13 C ATOM 1251 O LEU A 76 -0.792 8.549 2.371 1.00 72.15 O ATOM 1252 CB LEU A 76 -0.917 7.823 5.267 1.00 24.21 C ATOM 1253 CG LEU A 76 -0.588 6.994 6.522 1.00 51.11 C ATOM 1254 CD1 LEU A 76 0.071 7.860 7.592 1.00 53.32 C ATOM 1255 CD2 LEU A 76 -1.844 6.326 7.072 1.00 11.44 C ATOM 0 H LEU A 76 0.309 6.179 3.549 1.00 24.11 H new ATOM 0 HA LEU A 76 -2.500 6.637 4.397 1.00 52.41 H new ATOM 0 HB2 LEU A 76 -0.002 8.302 4.919 1.00 24.21 H new ATOM 0 HB3 LEU A 76 -1.607 8.619 5.548 1.00 24.21 H new ATOM 0 HG LEU A 76 0.118 6.215 6.234 1.00 51.11 H new ATOM 0 HD11 LEU A 76 0.293 7.250 8.468 1.00 53.32 H new ATOM 0 HD12 LEU A 76 0.996 8.282 7.200 1.00 53.32 H new ATOM 0 HD13 LEU A 76 -0.605 8.667 7.874 1.00 53.32 H new ATOM 0 HD21 LEU A 76 -1.589 5.745 7.958 1.00 11.44 H new ATOM 0 HD22 LEU A 76 -2.576 7.089 7.336 1.00 11.44 H new ATOM 0 HD23 LEU A 76 -2.266 5.665 6.315 1.00 11.44 H new ATOM 1267 N ILE A 77 -2.997 8.099 2.457 1.00 31.44 N ATOM 1268 CA ILE A 77 -3.332 8.922 1.285 1.00 61.24 C ATOM 1269 C ILE A 77 -4.214 10.127 1.666 1.00 41.13 C ATOM 1270 O ILE A 77 -5.339 9.964 2.136 1.00 31.03 O ATOM 1271 CB ILE A 77 -4.057 8.072 0.209 1.00 44.24 C ATOM 1272 CG1 ILE A 77 -3.197 6.852 -0.174 1.00 1.42 C ATOM 1273 CG2 ILE A 77 -4.379 8.915 -1.026 1.00 32.03 C ATOM 1274 CD1 ILE A 77 -3.869 5.898 -1.136 1.00 31.22 C ATOM 0 H ILE A 77 -3.800 7.649 2.895 1.00 31.44 H new ATOM 0 HA ILE A 77 -2.393 9.299 0.880 1.00 61.24 H new ATOM 0 HB ILE A 77 -4.999 7.717 0.628 1.00 44.24 H new ATOM 0 HG12 ILE A 77 -2.266 7.203 -0.619 1.00 1.42 H new ATOM 0 HG13 ILE A 77 -2.932 6.309 0.733 1.00 1.42 H new ATOM 0 HG21 ILE A 77 -4.887 8.297 -1.766 1.00 32.03 H new ATOM 0 HG22 ILE A 77 -5.025 9.745 -0.741 1.00 32.03 H new ATOM 0 HG23 ILE A 77 -3.454 9.305 -1.452 1.00 32.03 H new ATOM 0 HD11 ILE A 77 -3.197 5.068 -1.354 1.00 31.22 H new ATOM 0 HD12 ILE A 77 -4.786 5.515 -0.688 1.00 31.22 H new ATOM 0 HD13 ILE A 77 -4.109 6.423 -2.061 1.00 31.22 H new ATOM 1286 N LYS A 78 -3.686 11.334 1.460 1.00 73.34 N ATOM 1287 CA LYS A 78 -4.384 12.580 1.805 1.00 60.31 C ATOM 1288 C LYS A 78 -4.754 13.396 0.552 1.00 64.03 C ATOM 1289 O LYS A 78 -4.072 13.321 -0.470 1.00 34.04 O ATOM 1290 CB LYS A 78 -3.494 13.433 2.717 1.00 72.12 C ATOM 1291 CG LYS A 78 -2.938 12.682 3.921 1.00 50.25 C ATOM 1292 CD LYS A 78 -1.955 13.542 4.705 1.00 53.33 C ATOM 1293 CE LYS A 78 -1.339 12.779 5.871 1.00 53.01 C ATOM 1294 NZ LYS A 78 -0.356 13.610 6.615 1.00 32.25 N ATOM 0 H LYS A 78 -2.763 11.479 1.050 1.00 73.34 H new ATOM 0 HA LYS A 78 -5.307 12.311 2.318 1.00 60.31 H new ATOM 0 HB2 LYS A 78 -2.663 13.826 2.132 1.00 72.12 H new ATOM 0 HB3 LYS A 78 -4.068 14.290 3.070 1.00 72.12 H new ATOM 0 HG2 LYS A 78 -3.757 12.377 4.572 1.00 50.25 H new ATOM 0 HG3 LYS A 78 -2.441 11.771 3.586 1.00 50.25 H new ATOM 0 HD2 LYS A 78 -1.164 13.889 4.039 1.00 53.33 H new ATOM 0 HD3 LYS A 78 -2.467 14.428 5.081 1.00 53.33 H new ATOM 0 HE2 LYS A 78 -2.127 12.453 6.550 1.00 53.01 H new ATOM 0 HE3 LYS A 78 -0.847 11.880 5.499 1.00 53.01 H new ATOM 0 HZ1 LYS A 78 0.042 13.057 7.401 1.00 32.25 H new ATOM 0 HZ2 LYS A 78 0.409 13.900 5.973 1.00 32.25 H new ATOM 0 HZ3 LYS A 78 -0.831 14.455 6.992 1.00 32.25 H new ATOM 1308 N ASP A 79 -5.844 14.167 0.645 1.00 42.10 N ATOM 1309 CA ASP A 79 -6.253 15.115 -0.407 1.00 64.40 C ATOM 1310 C ASP A 79 -6.391 14.424 -1.781 1.00 53.20 C ATOM 1311 O ASP A 79 -6.116 15.013 -2.831 1.00 35.43 O ATOM 1312 CB ASP A 79 -5.261 16.292 -0.473 1.00 65.42 C ATOM 1313 CG ASP A 79 -5.839 17.500 -1.197 1.00 4.33 C ATOM 1314 OD1 ASP A 79 -6.724 18.172 -0.629 1.00 32.00 O ATOM 1315 OD2 ASP A 79 -5.414 17.789 -2.335 1.00 13.11 O ATOM 0 H ASP A 79 -6.470 14.154 1.450 1.00 42.10 H new ATOM 0 HA ASP A 79 -7.238 15.502 -0.148 1.00 64.40 H new ATOM 0 HB2 ASP A 79 -4.976 16.581 0.539 1.00 65.42 H new ATOM 0 HB3 ASP A 79 -4.352 15.969 -0.980 1.00 65.42 H new ATOM 1320 N VAL A 80 -6.850 13.176 -1.757 1.00 5.24 N ATOM 1321 CA VAL A 80 -7.029 12.379 -2.976 1.00 24.33 C ATOM 1322 C VAL A 80 -8.331 12.772 -3.710 1.00 2.10 C ATOM 1323 O VAL A 80 -9.341 13.072 -3.067 1.00 0.04 O ATOM 1324 CB VAL A 80 -7.056 10.865 -2.624 1.00 3.30 C ATOM 1325 CG1 VAL A 80 -8.323 10.491 -1.858 1.00 12.00 C ATOM 1326 CG2 VAL A 80 -6.908 10.002 -3.868 1.00 63.14 C ATOM 0 H VAL A 80 -7.108 12.687 -0.900 1.00 5.24 H new ATOM 0 HA VAL A 80 -6.188 12.580 -3.640 1.00 24.33 H new ATOM 0 HB VAL A 80 -6.201 10.672 -1.976 1.00 3.30 H new ATOM 0 HG11 VAL A 80 -8.308 9.426 -1.628 1.00 12.00 H new ATOM 0 HG12 VAL A 80 -8.369 11.061 -0.930 1.00 12.00 H new ATOM 0 HG13 VAL A 80 -9.197 10.719 -2.468 1.00 12.00 H new ATOM 0 HG21 VAL A 80 -6.931 8.949 -3.586 1.00 63.14 H new ATOM 0 HG22 VAL A 80 -7.728 10.211 -4.556 1.00 63.14 H new ATOM 0 HG23 VAL A 80 -5.959 10.226 -4.356 1.00 63.14 H new ATOM 1336 N ASN A 81 -8.309 12.799 -5.049 1.00 24.33 N ATOM 1337 CA ASN A 81 -9.513 13.147 -5.827 1.00 74.13 C ATOM 1338 C ASN A 81 -9.880 12.034 -6.831 1.00 63.31 C ATOM 1339 O ASN A 81 -9.239 10.982 -6.868 1.00 11.33 O ATOM 1340 CB ASN A 81 -9.326 14.505 -6.539 1.00 22.01 C ATOM 1341 CG ASN A 81 -8.772 14.389 -7.946 1.00 51.20 C ATOM 1342 OD1 ASN A 81 -9.524 14.340 -8.912 1.00 3.12 O ATOM 1343 ND2 ASN A 81 -7.469 14.319 -8.080 1.00 15.31 N ATOM 0 H ASN A 81 -7.485 12.588 -5.613 1.00 24.33 H new ATOM 0 HA ASN A 81 -10.347 13.240 -5.131 1.00 74.13 H new ATOM 0 HB2 ASN A 81 -10.286 15.019 -6.578 1.00 22.01 H new ATOM 0 HB3 ASN A 81 -8.656 15.126 -5.945 1.00 22.01 H new ATOM 0 HD21 ASN A 81 -7.056 14.221 -9.008 1.00 15.31 H new ATOM 0 HD22 ASN A 81 -6.869 14.363 -7.257 1.00 15.31 H new ATOM 1350 N LYS A 82 -10.909 12.272 -7.651 1.00 10.35 N ATOM 1351 CA LYS A 82 -11.392 11.262 -8.610 1.00 72.24 C ATOM 1352 C LYS A 82 -10.281 10.774 -9.564 1.00 22.12 C ATOM 1353 O LYS A 82 -10.327 9.641 -10.046 1.00 2.10 O ATOM 1354 CB LYS A 82 -12.570 11.822 -9.424 1.00 42.14 C ATOM 1355 CG LYS A 82 -13.757 12.267 -8.568 1.00 3.33 C ATOM 1356 CD LYS A 82 -14.434 11.108 -7.832 1.00 24.45 C ATOM 1357 CE LYS A 82 -15.496 10.412 -8.681 1.00 21.14 C ATOM 1358 NZ LYS A 82 -14.933 9.738 -9.877 1.00 61.14 N ATOM 0 H LYS A 82 -11.425 13.152 -7.673 1.00 10.35 H new ATOM 0 HA LYS A 82 -11.722 10.402 -8.027 1.00 72.24 H new ATOM 0 HB2 LYS A 82 -12.221 12.670 -10.014 1.00 42.14 H new ATOM 0 HB3 LYS A 82 -12.907 11.061 -10.128 1.00 42.14 H new ATOM 0 HG2 LYS A 82 -13.416 13.003 -7.839 1.00 3.33 H new ATOM 0 HG3 LYS A 82 -14.490 12.764 -9.204 1.00 3.33 H new ATOM 0 HD2 LYS A 82 -13.678 10.381 -7.534 1.00 24.45 H new ATOM 0 HD3 LYS A 82 -14.894 11.483 -6.917 1.00 24.45 H new ATOM 0 HE2 LYS A 82 -16.018 9.677 -8.069 1.00 21.14 H new ATOM 0 HE3 LYS A 82 -16.237 11.146 -8.999 1.00 21.14 H new ATOM 0 HZ1 LYS A 82 -15.581 8.987 -10.189 1.00 61.14 H new ATOM 0 HZ2 LYS A 82 -14.813 10.432 -10.642 1.00 61.14 H new ATOM 0 HZ3 LYS A 82 -14.010 9.322 -9.639 1.00 61.14 H new ATOM 1372 N LYS A 83 -9.286 11.624 -9.822 1.00 62.21 N ATOM 1373 CA LYS A 83 -8.174 11.268 -10.724 1.00 24.03 C ATOM 1374 C LYS A 83 -7.325 10.126 -10.148 1.00 21.35 C ATOM 1375 O LYS A 83 -6.747 9.327 -10.889 1.00 64.30 O ATOM 1376 CB LYS A 83 -7.255 12.482 -10.970 1.00 5.00 C ATOM 1377 CG LYS A 83 -7.972 13.768 -11.379 1.00 71.41 C ATOM 1378 CD LYS A 83 -8.959 13.561 -12.521 1.00 34.11 C ATOM 1379 CE LYS A 83 -8.272 13.127 -13.813 1.00 70.55 C ATOM 1380 NZ LYS A 83 -9.235 13.013 -14.941 1.00 4.01 N ATOM 0 H LYS A 83 -9.221 12.561 -9.424 1.00 62.21 H new ATOM 0 HA LYS A 83 -8.623 10.945 -11.663 1.00 24.03 H new ATOM 0 HB2 LYS A 83 -6.685 12.676 -10.061 1.00 5.00 H new ATOM 0 HB3 LYS A 83 -6.537 12.222 -11.748 1.00 5.00 H new ATOM 0 HG2 LYS A 83 -8.502 14.172 -10.517 1.00 71.41 H new ATOM 0 HG3 LYS A 83 -7.232 14.512 -11.676 1.00 71.41 H new ATOM 0 HD2 LYS A 83 -9.692 12.808 -12.232 1.00 34.11 H new ATOM 0 HD3 LYS A 83 -9.506 14.487 -12.697 1.00 34.11 H new ATOM 0 HE2 LYS A 83 -7.495 13.846 -14.070 1.00 70.55 H new ATOM 0 HE3 LYS A 83 -7.779 12.167 -13.658 1.00 70.55 H new ATOM 0 HZ1 LYS A 83 -8.730 12.716 -15.800 1.00 4.01 H new ATOM 0 HZ2 LYS A 83 -9.963 12.308 -14.706 1.00 4.01 H new ATOM 0 HZ3 LYS A 83 -9.687 13.935 -15.106 1.00 4.01 H new ATOM 1394 N ASP A 84 -7.265 10.060 -8.821 1.00 22.55 N ATOM 1395 CA ASP A 84 -6.357 9.149 -8.117 1.00 20.15 C ATOM 1396 C ASP A 84 -7.032 7.835 -7.674 1.00 53.43 C ATOM 1397 O ASP A 84 -6.391 6.998 -7.042 1.00 63.44 O ATOM 1398 CB ASP A 84 -5.760 9.846 -6.895 1.00 3.34 C ATOM 1399 CG ASP A 84 -5.049 11.141 -7.246 1.00 42.24 C ATOM 1400 OD1 ASP A 84 -5.714 12.200 -7.271 1.00 71.04 O ATOM 1401 OD2 ASP A 84 -3.824 11.109 -7.492 1.00 14.52 O ATOM 0 H ASP A 84 -7.840 10.632 -8.203 1.00 22.55 H new ATOM 0 HA ASP A 84 -5.575 8.885 -8.829 1.00 20.15 H new ATOM 0 HB2 ASP A 84 -6.554 10.055 -6.178 1.00 3.34 H new ATOM 0 HB3 ASP A 84 -5.057 9.172 -6.405 1.00 3.34 H new ATOM 1406 N ALA A 85 -8.314 7.640 -7.977 1.00 50.43 N ATOM 1407 CA ALA A 85 -8.988 6.414 -7.530 1.00 2.21 C ATOM 1408 C ALA A 85 -8.658 5.230 -8.452 1.00 1.13 C ATOM 1409 O ALA A 85 -8.593 5.373 -9.678 1.00 74.53 O ATOM 1410 CB ALA A 85 -10.495 6.631 -7.478 1.00 55.01 C ATOM 0 H ALA A 85 -8.894 8.287 -8.511 1.00 50.43 H new ATOM 0 HA ALA A 85 -8.625 6.177 -6.530 1.00 2.21 H new ATOM 0 HB1 ALA A 85 -10.983 5.715 -7.145 1.00 55.01 H new ATOM 0 HB2 ALA A 85 -10.723 7.437 -6.781 1.00 55.01 H new ATOM 0 HB3 ALA A 85 -10.859 6.896 -8.471 1.00 55.01 H new ATOM 1416 N GLY A 86 -8.476 4.051 -7.860 1.00 71.01 N ATOM 1417 CA GLY A 86 -8.091 2.879 -8.636 1.00 34.02 C ATOM 1418 C GLY A 86 -7.854 1.639 -7.780 1.00 1.45 C ATOM 1419 O GLY A 86 -8.125 1.640 -6.576 1.00 23.40 O ATOM 0 H GLY A 86 -8.587 3.885 -6.860 1.00 71.01 H new ATOM 0 HA2 GLY A 86 -8.871 2.664 -9.367 1.00 34.02 H new ATOM 0 HA3 GLY A 86 -7.183 3.105 -9.195 1.00 34.02 H new ATOM 1423 N TRP A 87 -7.343 0.579 -8.403 1.00 3.22 N ATOM 1424 CA TRP A 87 -6.878 -0.602 -7.669 1.00 11.12 C ATOM 1425 C TRP A 87 -5.370 -0.505 -7.367 1.00 33.13 C ATOM 1426 O TRP A 87 -4.554 -0.296 -8.266 1.00 65.51 O ATOM 1427 CB TRP A 87 -7.177 -1.884 -8.460 1.00 53.22 C ATOM 1428 CG TRP A 87 -8.605 -2.337 -8.342 1.00 23.34 C ATOM 1429 CD1 TRP A 87 -9.695 -1.821 -8.986 1.00 64.54 C ATOM 1430 CD2 TRP A 87 -9.090 -3.410 -7.527 1.00 13.15 C ATOM 1431 NE1 TRP A 87 -10.829 -2.504 -8.612 1.00 42.20 N ATOM 1432 CE2 TRP A 87 -10.482 -3.486 -7.721 1.00 42.12 C ATOM 1433 CE3 TRP A 87 -8.481 -4.316 -6.652 1.00 35.10 C ATOM 1434 CZ2 TRP A 87 -11.273 -4.430 -7.071 1.00 51.30 C ATOM 1435 CZ3 TRP A 87 -9.268 -5.250 -6.006 1.00 61.33 C ATOM 1436 CH2 TRP A 87 -10.649 -5.302 -6.220 1.00 11.31 C ATOM 0 H TRP A 87 -7.239 0.511 -9.415 1.00 3.22 H new ATOM 0 HA TRP A 87 -7.417 -0.641 -6.722 1.00 11.12 H new ATOM 0 HB2 TRP A 87 -6.942 -1.717 -9.511 1.00 53.22 H new ATOM 0 HB3 TRP A 87 -6.521 -2.680 -8.109 1.00 53.22 H new ATOM 0 HD1 TRP A 87 -9.670 -0.998 -9.685 1.00 64.54 H new ATOM 0 HE1 TRP A 87 -11.774 -2.311 -8.944 1.00 42.20 H new ATOM 0 HE3 TRP A 87 -7.415 -4.286 -6.484 1.00 35.10 H new ATOM 0 HZ2 TRP A 87 -12.340 -4.473 -7.232 1.00 51.30 H new ATOM 0 HZ3 TRP A 87 -8.809 -5.951 -5.325 1.00 61.33 H new ATOM 0 HH2 TRP A 87 -11.236 -6.046 -5.703 1.00 11.31 H new ATOM 1447 N TYR A 88 -5.020 -0.645 -6.092 1.00 54.11 N ATOM 1448 CA TYR A 88 -3.624 -0.600 -5.640 1.00 11.03 C ATOM 1449 C TYR A 88 -3.015 -2.006 -5.546 1.00 12.24 C ATOM 1450 O TYR A 88 -3.466 -2.841 -4.764 1.00 50.35 O ATOM 1451 CB TYR A 88 -3.532 0.081 -4.267 1.00 1.10 C ATOM 1452 CG TYR A 88 -3.773 1.578 -4.293 1.00 64.54 C ATOM 1453 CD1 TYR A 88 -5.041 2.097 -4.533 1.00 32.12 C ATOM 1454 CD2 TYR A 88 -2.731 2.474 -4.070 1.00 50.53 C ATOM 1455 CE1 TYR A 88 -5.262 3.460 -4.553 1.00 20.24 C ATOM 1456 CE2 TYR A 88 -2.946 3.837 -4.086 1.00 41.12 C ATOM 1457 CZ TYR A 88 -4.211 4.326 -4.327 1.00 43.10 C ATOM 1458 OH TYR A 88 -4.424 5.685 -4.351 1.00 41.13 O ATOM 0 H TYR A 88 -5.692 -0.793 -5.339 1.00 54.11 H new ATOM 0 HA TYR A 88 -3.061 -0.027 -6.377 1.00 11.03 H new ATOM 0 HB2 TYR A 88 -4.258 -0.380 -3.597 1.00 1.10 H new ATOM 0 HB3 TYR A 88 -2.544 -0.109 -3.846 1.00 1.10 H new ATOM 0 HD1 TYR A 88 -5.867 1.423 -4.707 1.00 32.12 H new ATOM 0 HD2 TYR A 88 -1.737 2.096 -3.881 1.00 50.53 H new ATOM 0 HE1 TYR A 88 -6.252 3.847 -4.744 1.00 20.24 H new ATOM 0 HE2 TYR A 88 -2.126 4.517 -3.910 1.00 41.12 H new ATOM 0 HH TYR A 88 -3.581 6.151 -4.172 1.00 41.13 H new ATOM 1468 N THR A 89 -1.993 -2.260 -6.351 1.00 60.15 N ATOM 1469 CA THR A 89 -1.259 -3.530 -6.310 1.00 23.32 C ATOM 1470 C THR A 89 0.045 -3.383 -5.511 1.00 43.42 C ATOM 1471 O THR A 89 0.932 -2.617 -5.891 1.00 3.34 O ATOM 1472 CB THR A 89 -0.925 -4.029 -7.739 1.00 73.55 C ATOM 1473 OG1 THR A 89 -2.135 -4.202 -8.497 1.00 73.32 O ATOM 1474 CG2 THR A 89 -0.159 -5.350 -7.704 1.00 70.31 C ATOM 0 H THR A 89 -1.646 -1.601 -7.048 1.00 60.15 H new ATOM 0 HA THR A 89 -1.903 -4.260 -5.819 1.00 23.32 H new ATOM 0 HB THR A 89 -0.295 -3.276 -8.213 1.00 73.55 H new ATOM 0 HG1 THR A 89 -1.914 -4.516 -9.399 1.00 73.32 H new ATOM 0 HG21 THR A 89 0.059 -5.671 -8.723 1.00 70.31 H new ATOM 0 HG22 THR A 89 0.775 -5.215 -7.158 1.00 70.31 H new ATOM 0 HG23 THR A 89 -0.764 -6.108 -7.206 1.00 70.31 H new ATOM 1482 N VAL A 90 0.152 -4.108 -4.398 1.00 14.11 N ATOM 1483 CA VAL A 90 1.355 -4.066 -3.559 1.00 54.25 C ATOM 1484 C VAL A 90 2.264 -5.283 -3.812 1.00 12.11 C ATOM 1485 O VAL A 90 1.859 -6.435 -3.632 1.00 20.02 O ATOM 1486 CB VAL A 90 0.996 -3.973 -2.050 1.00 53.25 C ATOM 1487 CG1 VAL A 90 0.056 -5.107 -1.633 1.00 62.52 C ATOM 1488 CG2 VAL A 90 2.262 -3.962 -1.189 1.00 74.01 C ATOM 0 H VAL A 90 -0.578 -4.732 -4.054 1.00 14.11 H new ATOM 0 HA VAL A 90 1.902 -3.165 -3.838 1.00 54.25 H new ATOM 0 HB VAL A 90 0.470 -3.032 -1.888 1.00 53.25 H new ATOM 0 HG11 VAL A 90 -0.177 -5.015 -0.572 1.00 62.52 H new ATOM 0 HG12 VAL A 90 -0.865 -5.048 -2.213 1.00 62.52 H new ATOM 0 HG13 VAL A 90 0.540 -6.066 -1.816 1.00 62.52 H new ATOM 0 HG21 VAL A 90 1.986 -3.896 -0.137 1.00 74.01 H new ATOM 0 HG22 VAL A 90 2.826 -4.879 -1.360 1.00 74.01 H new ATOM 0 HG23 VAL A 90 2.877 -3.103 -1.457 1.00 74.01 H new ATOM 1498 N SER A 91 3.492 -5.013 -4.244 1.00 32.41 N ATOM 1499 CA SER A 91 4.478 -6.065 -4.529 1.00 30.24 C ATOM 1500 C SER A 91 5.596 -6.075 -3.476 1.00 2.11 C ATOM 1501 O SER A 91 6.209 -5.045 -3.204 1.00 30.44 O ATOM 1502 CB SER A 91 5.097 -5.852 -5.920 1.00 53.34 C ATOM 1503 OG SER A 91 4.103 -5.795 -6.936 1.00 32.41 O ATOM 0 H SER A 91 3.836 -4.067 -4.407 1.00 32.41 H new ATOM 0 HA SER A 91 3.959 -7.023 -4.500 1.00 30.24 H new ATOM 0 HB2 SER A 91 5.674 -4.927 -5.924 1.00 53.34 H new ATOM 0 HB3 SER A 91 5.793 -6.663 -6.137 1.00 53.34 H new ATOM 0 HG SER A 91 4.532 -5.657 -7.806 1.00 32.41 H new ATOM 1509 N ALA A 92 5.860 -7.242 -2.891 1.00 4.03 N ATOM 1510 CA ALA A 92 6.937 -7.390 -1.903 1.00 33.54 C ATOM 1511 C ALA A 92 7.975 -8.431 -2.362 1.00 20.04 C ATOM 1512 O ALA A 92 7.668 -9.624 -2.467 1.00 25.12 O ATOM 1513 CB ALA A 92 6.354 -7.783 -0.550 1.00 51.31 C ATOM 0 H ALA A 92 5.345 -8.101 -3.082 1.00 4.03 H new ATOM 0 HA ALA A 92 7.446 -6.431 -1.807 1.00 33.54 H new ATOM 0 HB1 ALA A 92 7.160 -7.890 0.176 1.00 51.31 H new ATOM 0 HB2 ALA A 92 5.663 -7.010 -0.213 1.00 51.31 H new ATOM 0 HB3 ALA A 92 5.822 -8.730 -0.644 1.00 51.31 H new ATOM 1519 N VAL A 93 9.206 -7.982 -2.612 1.00 42.44 N ATOM 1520 CA VAL A 93 10.254 -8.867 -3.146 1.00 11.31 C ATOM 1521 C VAL A 93 11.480 -8.974 -2.215 1.00 34.00 C ATOM 1522 O VAL A 93 12.128 -7.976 -1.886 1.00 14.52 O ATOM 1523 CB VAL A 93 10.708 -8.410 -4.560 1.00 44.34 C ATOM 1524 CG1 VAL A 93 11.214 -6.969 -4.541 1.00 11.43 C ATOM 1525 CG2 VAL A 93 11.772 -9.355 -5.122 1.00 52.12 C ATOM 0 H VAL A 93 9.505 -7.019 -2.456 1.00 42.44 H new ATOM 0 HA VAL A 93 9.805 -9.858 -3.213 1.00 11.31 H new ATOM 0 HB VAL A 93 9.839 -8.448 -5.217 1.00 44.34 H new ATOM 0 HG11 VAL A 93 11.524 -6.679 -5.545 1.00 11.43 H new ATOM 0 HG12 VAL A 93 10.416 -6.308 -4.202 1.00 11.43 H new ATOM 0 HG13 VAL A 93 12.063 -6.890 -3.862 1.00 11.43 H new ATOM 0 HG21 VAL A 93 12.074 -9.015 -6.112 1.00 52.12 H new ATOM 0 HG22 VAL A 93 12.638 -9.362 -4.461 1.00 52.12 H new ATOM 0 HG23 VAL A 93 11.362 -10.363 -5.194 1.00 52.12 H new ATOM 1535 N ASN A 94 11.753 -10.197 -1.762 1.00 20.21 N ATOM 1536 CA ASN A 94 12.969 -10.522 -1.003 1.00 61.55 C ATOM 1537 C ASN A 94 13.870 -11.448 -1.848 1.00 25.11 C ATOM 1538 O ASN A 94 13.454 -11.925 -2.905 1.00 34.11 O ATOM 1539 CB ASN A 94 12.580 -11.212 0.317 1.00 61.21 C ATOM 1540 CG ASN A 94 13.747 -11.370 1.280 1.00 71.33 C ATOM 1541 OD1 ASN A 94 14.498 -12.332 1.215 1.00 2.32 O ATOM 1542 ND2 ASN A 94 13.900 -10.435 2.185 1.00 3.34 N ATOM 0 H ASN A 94 11.137 -10.996 -1.910 1.00 20.21 H new ATOM 0 HA ASN A 94 13.518 -9.608 -0.775 1.00 61.55 H new ATOM 0 HB2 ASN A 94 11.793 -10.635 0.802 1.00 61.21 H new ATOM 0 HB3 ASN A 94 12.164 -12.195 0.096 1.00 61.21 H new ATOM 0 HD21 ASN A 94 14.662 -10.498 2.860 1.00 3.34 H new ATOM 0 HD22 ASN A 94 13.257 -9.644 2.214 1.00 3.34 H new ATOM 1549 N GLU A 95 15.095 -11.719 -1.390 1.00 42.11 N ATOM 1550 CA GLU A 95 15.964 -12.685 -2.080 1.00 24.21 C ATOM 1551 C GLU A 95 15.486 -14.127 -1.821 1.00 43.23 C ATOM 1552 O GLU A 95 15.739 -15.035 -2.612 1.00 63.53 O ATOM 1553 CB GLU A 95 17.430 -12.526 -1.638 1.00 42.05 C ATOM 1554 CG GLU A 95 17.695 -12.886 -0.178 1.00 31.32 C ATOM 1555 CD GLU A 95 19.180 -12.892 0.168 1.00 0.52 C ATOM 1556 OE1 GLU A 95 19.861 -13.902 -0.126 1.00 51.23 O ATOM 1557 OE2 GLU A 95 19.673 -11.894 0.730 1.00 51.04 O ATOM 0 H GLU A 95 15.505 -11.293 -0.559 1.00 42.11 H new ATOM 0 HA GLU A 95 15.904 -12.482 -3.149 1.00 24.21 H new ATOM 0 HB2 GLU A 95 18.057 -13.152 -2.273 1.00 42.05 H new ATOM 0 HB3 GLU A 95 17.737 -11.494 -1.806 1.00 42.05 H new ATOM 0 HG2 GLU A 95 17.179 -12.174 0.467 1.00 31.32 H new ATOM 0 HG3 GLU A 95 17.274 -13.869 0.031 1.00 31.32 H new ATOM 1564 N ALA A 96 14.818 -14.326 -0.686 1.00 75.52 N ATOM 1565 CA ALA A 96 14.226 -15.622 -0.326 1.00 40.15 C ATOM 1566 C ALA A 96 12.983 -15.949 -1.176 1.00 65.14 C ATOM 1567 O ALA A 96 12.695 -17.116 -1.456 1.00 20.34 O ATOM 1568 CB ALA A 96 13.878 -15.632 1.159 1.00 45.25 C ATOM 0 H ALA A 96 14.670 -13.597 0.012 1.00 75.52 H new ATOM 0 HA ALA A 96 14.964 -16.397 -0.533 1.00 40.15 H new ATOM 0 HB1 ALA A 96 13.439 -16.594 1.423 1.00 45.25 H new ATOM 0 HB2 ALA A 96 14.783 -15.472 1.746 1.00 45.25 H new ATOM 0 HB3 ALA A 96 13.163 -14.837 1.371 1.00 45.25 H new ATOM 1574 N GLY A 97 12.244 -14.912 -1.574 1.00 43.55 N ATOM 1575 CA GLY A 97 11.027 -15.111 -2.362 1.00 12.10 C ATOM 1576 C GLY A 97 10.254 -13.820 -2.625 1.00 31.21 C ATOM 1577 O GLY A 97 10.654 -12.745 -2.173 1.00 3.42 O ATOM 0 H GLY A 97 12.463 -13.938 -1.367 1.00 43.55 H new ATOM 0 HA2 GLY A 97 11.292 -15.567 -3.316 1.00 12.10 H new ATOM 0 HA3 GLY A 97 10.377 -15.815 -1.841 1.00 12.10 H new ATOM 1581 N VAL A 98 9.134 -13.931 -3.338 1.00 73.24 N ATOM 1582 CA VAL A 98 8.327 -12.758 -3.715 1.00 44.54 C ATOM 1583 C VAL A 98 6.813 -13.031 -3.595 1.00 61.21 C ATOM 1584 O VAL A 98 6.344 -14.141 -3.862 1.00 21.14 O ATOM 1585 CB VAL A 98 8.655 -12.301 -5.163 1.00 31.33 C ATOM 1586 CG1 VAL A 98 8.375 -13.420 -6.168 1.00 65.33 C ATOM 1587 CG2 VAL A 98 7.885 -11.033 -5.533 1.00 71.53 C ATOM 0 H VAL A 98 8.760 -14.820 -3.669 1.00 73.24 H new ATOM 0 HA VAL A 98 8.587 -11.964 -3.015 1.00 44.54 H new ATOM 0 HB VAL A 98 9.719 -12.068 -5.202 1.00 31.33 H new ATOM 0 HG11 VAL A 98 8.613 -13.074 -7.174 1.00 65.33 H new ATOM 0 HG12 VAL A 98 8.990 -14.287 -5.928 1.00 65.33 H new ATOM 0 HG13 VAL A 98 7.322 -13.697 -6.120 1.00 65.33 H new ATOM 0 HG21 VAL A 98 8.136 -10.739 -6.552 1.00 71.53 H new ATOM 0 HG22 VAL A 98 6.814 -11.224 -5.464 1.00 71.53 H new ATOM 0 HG23 VAL A 98 8.155 -10.230 -4.847 1.00 71.53 H new ATOM 1597 N THR A 99 6.061 -12.013 -3.168 1.00 53.23 N ATOM 1598 CA THR A 99 4.593 -12.103 -3.074 1.00 65.04 C ATOM 1599 C THR A 99 3.921 -10.773 -3.454 1.00 24.23 C ATOM 1600 O THR A 99 4.443 -9.696 -3.160 1.00 20.12 O ATOM 1601 CB THR A 99 4.126 -12.520 -1.659 1.00 1.41 C ATOM 1602 OG1 THR A 99 2.690 -12.605 -1.621 1.00 55.33 O ATOM 1603 CG2 THR A 99 4.617 -11.535 -0.602 1.00 42.15 C ATOM 0 H THR A 99 6.442 -11.112 -2.880 1.00 53.23 H new ATOM 0 HA THR A 99 4.291 -12.874 -3.783 1.00 65.04 H new ATOM 0 HB THR A 99 4.554 -13.498 -1.436 1.00 1.41 H new ATOM 0 HG1 THR A 99 2.320 -11.750 -1.318 1.00 55.33 H new ATOM 0 HG21 THR A 99 4.273 -11.855 0.381 1.00 42.15 H new ATOM 0 HG22 THR A 99 5.706 -11.503 -0.613 1.00 42.15 H new ATOM 0 HG23 THR A 99 4.223 -10.542 -0.819 1.00 42.15 H new ATOM 1611 N THR A 100 2.767 -10.848 -4.119 1.00 15.12 N ATOM 1612 CA THR A 100 2.052 -9.646 -4.577 1.00 63.04 C ATOM 1613 C THR A 100 0.538 -9.755 -4.336 1.00 61.02 C ATOM 1614 O THR A 100 -0.079 -10.768 -4.671 1.00 51.13 O ATOM 1615 CB THR A 100 2.296 -9.395 -6.087 1.00 71.05 C ATOM 1616 OG1 THR A 100 3.702 -9.306 -6.348 1.00 44.51 O ATOM 1617 CG2 THR A 100 1.614 -8.117 -6.560 1.00 62.55 C ATOM 0 H THR A 100 2.304 -11.726 -4.354 1.00 15.12 H new ATOM 0 HA THR A 100 2.445 -8.812 -3.995 1.00 63.04 H new ATOM 0 HB THR A 100 1.868 -10.235 -6.634 1.00 71.05 H new ATOM 0 HG1 THR A 100 3.848 -9.149 -7.304 1.00 44.51 H new ATOM 0 HG21 THR A 100 1.807 -7.974 -7.623 1.00 62.55 H new ATOM 0 HG22 THR A 100 0.540 -8.195 -6.393 1.00 62.55 H new ATOM 0 HG23 THR A 100 2.007 -7.267 -6.002 1.00 62.55 H new ATOM 1625 N CYS A 101 -0.059 -8.706 -3.768 1.00 12.13 N ATOM 1626 CA CYS A 101 -1.509 -8.683 -3.498 1.00 44.12 C ATOM 1627 C CYS A 101 -2.154 -7.379 -3.986 1.00 22.11 C ATOM 1628 O CYS A 101 -1.477 -6.369 -4.173 1.00 14.21 O ATOM 1629 CB CYS A 101 -1.786 -8.862 -2.000 1.00 51.43 C ATOM 1630 SG CYS A 101 -3.547 -8.870 -1.563 1.00 73.14 S ATOM 0 H CYS A 101 0.433 -7.859 -3.484 1.00 12.13 H new ATOM 0 HA CYS A 101 -1.951 -9.513 -4.048 1.00 44.12 H new ATOM 0 HB2 CYS A 101 -1.337 -9.798 -1.669 1.00 51.43 H new ATOM 0 HB3 CYS A 101 -1.291 -8.060 -1.452 1.00 51.43 H new ATOM 0 HG CYS A 101 -3.675 -9.028 -0.279 1.00 73.14 H new ATOM 1636 N ASN A 102 -3.474 -7.405 -4.178 1.00 74.02 N ATOM 1637 CA ASN A 102 -4.219 -6.239 -4.679 1.00 1.21 C ATOM 1638 C ASN A 102 -5.160 -5.652 -3.611 1.00 4.25 C ATOM 1639 O ASN A 102 -5.602 -6.353 -2.698 1.00 5.23 O ATOM 1640 CB ASN A 102 -5.023 -6.624 -5.929 1.00 20.22 C ATOM 1641 CG ASN A 102 -4.131 -7.007 -7.101 1.00 62.04 C ATOM 1642 OD1 ASN A 102 -3.026 -7.503 -6.927 1.00 2.31 O ATOM 1643 ND2 ASN A 102 -4.604 -6.782 -8.309 1.00 34.12 N ATOM 0 H ASN A 102 -4.055 -8.223 -3.994 1.00 74.02 H new ATOM 0 HA ASN A 102 -3.489 -5.471 -4.934 1.00 1.21 H new ATOM 0 HB2 ASN A 102 -5.682 -7.459 -5.690 1.00 20.22 H new ATOM 0 HB3 ASN A 102 -5.660 -5.788 -6.219 1.00 20.22 H new ATOM 0 HD21 ASN A 102 -4.046 -7.022 -9.128 1.00 34.12 H new ATOM 0 HD22 ASN A 102 -5.529 -6.367 -8.426 1.00 34.12 H new ATOM 1650 N THR A 103 -5.437 -4.356 -3.727 1.00 20.32 N ATOM 1651 CA THR A 103 -6.349 -3.644 -2.817 1.00 24.44 C ATOM 1652 C THR A 103 -7.151 -2.583 -3.586 1.00 3.44 C ATOM 1653 O THR A 103 -6.655 -2.017 -4.550 1.00 5.13 O ATOM 1654 CB THR A 103 -5.572 -2.960 -1.663 1.00 14.42 C ATOM 1655 OG1 THR A 103 -4.795 -3.935 -0.956 1.00 43.54 O ATOM 1656 CG2 THR A 103 -6.518 -2.262 -0.686 1.00 55.14 C ATOM 0 H THR A 103 -5.038 -3.763 -4.454 1.00 20.32 H new ATOM 0 HA THR A 103 -7.030 -4.381 -2.391 1.00 24.44 H new ATOM 0 HB THR A 103 -4.918 -2.207 -2.102 1.00 14.42 H new ATOM 0 HG1 THR A 103 -3.846 -3.696 -1.006 1.00 43.54 H new ATOM 0 HG21 THR A 103 -5.939 -1.794 0.110 1.00 55.14 H new ATOM 0 HG22 THR A 103 -7.090 -1.500 -1.215 1.00 55.14 H new ATOM 0 HG23 THR A 103 -7.201 -2.994 -0.255 1.00 55.14 H new ATOM 1664 N ARG A 104 -8.385 -2.315 -3.172 1.00 4.45 N ATOM 1665 CA ARG A 104 -9.235 -1.331 -3.864 1.00 45.51 C ATOM 1666 C ARG A 104 -9.420 -0.045 -3.036 1.00 23.44 C ATOM 1667 O ARG A 104 -9.566 -0.099 -1.816 1.00 43.34 O ATOM 1668 CB ARG A 104 -10.602 -1.954 -4.183 1.00 5.13 C ATOM 1669 CG ARG A 104 -11.607 -0.971 -4.781 1.00 20.31 C ATOM 1670 CD ARG A 104 -12.939 -1.639 -5.104 1.00 31.11 C ATOM 1671 NE ARG A 104 -13.961 -0.666 -5.475 1.00 64.30 N ATOM 1672 CZ ARG A 104 -15.134 -0.969 -5.956 1.00 21.22 C ATOM 1673 NH1 ARG A 104 -15.474 -2.206 -6.161 1.00 0.14 N ATOM 1674 NH2 ARG A 104 -15.971 -0.023 -6.229 1.00 45.44 N ATOM 0 H ARG A 104 -8.824 -2.759 -2.366 1.00 4.45 H new ATOM 0 HA ARG A 104 -8.733 -1.054 -4.791 1.00 45.51 H new ATOM 0 HB2 ARG A 104 -10.460 -2.781 -4.879 1.00 5.13 H new ATOM 0 HB3 ARG A 104 -11.021 -2.375 -3.269 1.00 5.13 H new ATOM 0 HG2 ARG A 104 -11.773 -0.152 -4.081 1.00 20.31 H new ATOM 0 HG3 ARG A 104 -11.191 -0.535 -5.689 1.00 20.31 H new ATOM 0 HD2 ARG A 104 -12.801 -2.349 -5.920 1.00 31.11 H new ATOM 0 HD3 ARG A 104 -13.278 -2.209 -4.239 1.00 31.11 H new ATOM 0 HE ARG A 104 -13.742 0.322 -5.349 1.00 64.30 H new ATOM 0 HH11 ARG A 104 -14.819 -2.957 -5.945 1.00 0.14 H new ATOM 0 HH12 ARG A 104 -16.396 -2.426 -6.538 1.00 0.14 H new ATOM 0 HH21 ARG A 104 -15.711 0.950 -6.068 1.00 45.44 H new ATOM 0 HH22 ARG A 104 -16.891 -0.249 -6.606 1.00 45.44 H new ATOM 1688 N LEU A 105 -9.395 1.108 -3.711 1.00 61.55 N ATOM 1689 CA LEU A 105 -9.681 2.401 -3.070 1.00 63.55 C ATOM 1690 C LEU A 105 -10.625 3.245 -3.942 1.00 11.43 C ATOM 1691 O LEU A 105 -10.353 3.479 -5.123 1.00 64.41 O ATOM 1692 CB LEU A 105 -8.380 3.177 -2.811 1.00 41.43 C ATOM 1693 CG LEU A 105 -8.553 4.513 -2.063 1.00 5.35 C ATOM 1694 CD1 LEU A 105 -9.082 4.279 -0.650 1.00 3.52 C ATOM 1695 CD2 LEU A 105 -7.242 5.292 -2.030 1.00 23.44 C ATOM 0 H LEU A 105 -9.179 1.175 -4.706 1.00 61.55 H new ATOM 0 HA LEU A 105 -10.169 2.201 -2.116 1.00 63.55 H new ATOM 0 HB2 LEU A 105 -7.705 2.542 -2.237 1.00 41.43 H new ATOM 0 HB3 LEU A 105 -7.896 3.374 -3.768 1.00 41.43 H new ATOM 0 HG LEU A 105 -9.286 5.111 -2.604 1.00 5.35 H new ATOM 0 HD11 LEU A 105 -9.196 5.236 -0.141 1.00 3.52 H new ATOM 0 HD12 LEU A 105 -10.049 3.778 -0.702 1.00 3.52 H new ATOM 0 HD13 LEU A 105 -8.379 3.656 -0.097 1.00 3.52 H new ATOM 0 HD21 LEU A 105 -7.390 6.231 -1.497 1.00 23.44 H new ATOM 0 HD22 LEU A 105 -6.481 4.701 -1.520 1.00 23.44 H new ATOM 0 HD23 LEU A 105 -6.917 5.501 -3.049 1.00 23.44 H new ATOM 1707 N ASP A 106 -11.730 3.703 -3.356 1.00 43.20 N ATOM 1708 CA ASP A 106 -12.724 4.505 -4.081 1.00 54.22 C ATOM 1709 C ASP A 106 -12.727 5.970 -3.620 1.00 42.22 C ATOM 1710 O ASP A 106 -12.558 6.268 -2.435 1.00 23.35 O ATOM 1711 CB ASP A 106 -14.121 3.908 -3.885 1.00 11.12 C ATOM 1712 CG ASP A 106 -14.245 2.512 -4.461 1.00 60.21 C ATOM 1713 OD1 ASP A 106 -13.856 1.546 -3.778 1.00 61.24 O ATOM 1714 OD2 ASP A 106 -14.739 2.376 -5.602 1.00 32.43 O ATOM 0 H ASP A 106 -11.963 3.534 -2.378 1.00 43.20 H new ATOM 0 HA ASP A 106 -12.452 4.484 -5.136 1.00 54.22 H new ATOM 0 HB2 ASP A 106 -14.354 3.880 -2.821 1.00 11.12 H new ATOM 0 HB3 ASP A 106 -14.859 4.558 -4.355 1.00 11.12 H new ATOM 1719 N VAL A 107 -12.930 6.887 -4.565 1.00 41.10 N ATOM 1720 CA VAL A 107 -13.064 8.313 -4.248 1.00 54.41 C ATOM 1721 C VAL A 107 -14.353 8.881 -4.858 1.00 53.41 C ATOM 1722 O VAL A 107 -14.727 8.533 -5.980 1.00 5.13 O ATOM 1723 CB VAL A 107 -11.850 9.135 -4.756 1.00 14.42 C ATOM 1724 CG1 VAL A 107 -11.986 10.608 -4.367 1.00 14.21 C ATOM 1725 CG2 VAL A 107 -10.537 8.555 -4.228 1.00 20.35 C ATOM 0 H VAL A 107 -13.006 6.670 -5.559 1.00 41.10 H new ATOM 0 HA VAL A 107 -13.103 8.396 -3.162 1.00 54.41 H new ATOM 0 HB VAL A 107 -11.835 9.072 -5.844 1.00 14.42 H new ATOM 0 HG11 VAL A 107 -11.123 11.163 -4.735 1.00 14.21 H new ATOM 0 HG12 VAL A 107 -12.895 11.018 -4.807 1.00 14.21 H new ATOM 0 HG13 VAL A 107 -12.037 10.694 -3.282 1.00 14.21 H new ATOM 0 HG21 VAL A 107 -9.702 9.149 -4.599 1.00 20.35 H new ATOM 0 HG22 VAL A 107 -10.542 8.576 -3.138 1.00 20.35 H new ATOM 0 HG23 VAL A 107 -10.430 7.526 -4.570 1.00 20.35 H new ATOM 1735 N THR A 108 -15.026 9.755 -4.117 1.00 51.12 N ATOM 1736 CA THR A 108 -16.298 10.342 -4.560 1.00 65.14 C ATOM 1737 C THR A 108 -16.182 11.870 -4.669 1.00 2.33 C ATOM 1738 O THR A 108 -15.498 12.509 -3.867 1.00 44.55 O ATOM 1739 CB THR A 108 -17.449 9.983 -3.585 1.00 33.31 C ATOM 1740 OG1 THR A 108 -17.484 8.566 -3.357 1.00 21.42 O ATOM 1741 CG2 THR A 108 -18.802 10.438 -4.127 1.00 21.32 C ATOM 0 H THR A 108 -14.714 10.078 -3.201 1.00 51.12 H new ATOM 0 HA THR A 108 -16.525 9.927 -5.542 1.00 65.14 H new ATOM 0 HB THR A 108 -17.258 10.503 -2.647 1.00 33.31 H new ATOM 0 HG1 THR A 108 -18.214 8.352 -2.739 1.00 21.42 H new ATOM 0 HG21 THR A 108 -19.586 10.171 -3.419 1.00 21.32 H new ATOM 0 HG22 THR A 108 -18.793 11.519 -4.267 1.00 21.32 H new ATOM 0 HG23 THR A 108 -18.994 9.950 -5.082 1.00 21.32 H new ATOM 1749 N ALA A 109 -16.863 12.457 -5.651 1.00 33.53 N ATOM 1750 CA ALA A 109 -16.773 13.900 -5.902 1.00 70.13 C ATOM 1751 C ALA A 109 -17.568 14.709 -4.865 1.00 1.12 C ATOM 1752 O ALA A 109 -18.741 14.431 -4.612 1.00 72.20 O ATOM 1753 CB ALA A 109 -17.260 14.215 -7.314 1.00 54.13 C ATOM 0 H ALA A 109 -17.484 11.958 -6.288 1.00 33.53 H new ATOM 0 HA ALA A 109 -15.727 14.192 -5.810 1.00 70.13 H new ATOM 0 HB1 ALA A 109 -17.190 15.288 -7.492 1.00 54.13 H new ATOM 0 HB2 ALA A 109 -16.641 13.686 -8.039 1.00 54.13 H new ATOM 0 HB3 ALA A 109 -18.297 13.896 -7.421 1.00 54.13 H new ATOM 1759 N ARG A 110 -16.920 15.710 -4.269 1.00 32.22 N ATOM 1760 CA ARG A 110 -17.560 16.555 -3.253 1.00 54.50 C ATOM 1761 C ARG A 110 -18.673 17.431 -3.854 1.00 1.10 C ATOM 1762 O ARG A 110 -18.537 17.946 -4.964 1.00 11.12 O ATOM 1763 CB ARG A 110 -16.521 17.457 -2.563 1.00 32.33 C ATOM 1764 CG ARG A 110 -15.682 16.751 -1.503 1.00 22.54 C ATOM 1765 CD ARG A 110 -14.729 17.719 -0.804 1.00 21.33 C ATOM 1766 NE ARG A 110 -14.110 17.125 0.379 1.00 71.41 N ATOM 1767 CZ ARG A 110 -13.038 17.588 0.966 1.00 22.13 C ATOM 1768 NH1 ARG A 110 -12.397 18.605 0.483 1.00 73.30 N ATOM 1769 NH2 ARG A 110 -12.594 17.008 2.027 1.00 10.14 N ATOM 0 H ARG A 110 -15.951 15.958 -4.470 1.00 32.22 H new ATOM 0 HA ARG A 110 -18.008 15.885 -2.520 1.00 54.50 H new ATOM 0 HB2 ARG A 110 -15.855 17.870 -3.321 1.00 32.33 H new ATOM 0 HB3 ARG A 110 -17.037 18.298 -2.100 1.00 32.33 H new ATOM 0 HG2 ARG A 110 -16.339 16.290 -0.765 1.00 22.54 H new ATOM 0 HG3 ARG A 110 -15.110 15.947 -1.967 1.00 22.54 H new ATOM 0 HD2 ARG A 110 -13.951 18.029 -1.502 1.00 21.33 H new ATOM 0 HD3 ARG A 110 -15.274 18.618 -0.515 1.00 21.33 H new ATOM 0 HE ARG A 110 -14.545 16.291 0.774 1.00 71.41 H new ATOM 0 HH11 ARG A 110 -12.727 19.058 -0.369 1.00 73.30 H new ATOM 0 HH12 ARG A 110 -11.562 18.953 0.955 1.00 73.30 H new ATOM 0 HH21 ARG A 110 -13.078 16.193 2.403 1.00 10.14 H new ATOM 0 HH22 ARG A 110 -11.758 17.364 2.491 1.00 10.14 H new ATOM 1783 N PRO A 111 -19.787 17.620 -3.116 1.00 21.35 N ATOM 1784 CA PRO A 111 -20.876 18.519 -3.541 1.00 72.40 C ATOM 1785 C PRO A 111 -20.409 19.981 -3.630 1.00 54.41 C ATOM 1786 O PRO A 111 -20.962 20.779 -4.386 1.00 12.34 O ATOM 1787 CB PRO A 111 -21.937 18.348 -2.439 1.00 21.21 C ATOM 1788 CG PRO A 111 -21.187 17.823 -1.261 1.00 13.45 C ATOM 1789 CD PRO A 111 -20.081 16.972 -1.823 1.00 44.43 C ATOM 0 HA PRO A 111 -21.247 18.277 -4.537 1.00 72.40 H new ATOM 0 HB2 PRO A 111 -22.422 19.296 -2.208 1.00 21.21 H new ATOM 0 HB3 PRO A 111 -22.720 17.656 -2.749 1.00 21.21 H new ATOM 0 HG2 PRO A 111 -20.785 18.638 -0.659 1.00 13.45 H new ATOM 0 HG3 PRO A 111 -21.839 17.238 -0.612 1.00 13.45 H new ATOM 0 HD2 PRO A 111 -19.209 16.961 -1.170 1.00 44.43 H new ATOM 0 HD3 PRO A 111 -20.395 15.936 -1.953 1.00 44.43 H new ATOM 1797 N ASN A 112 -19.385 20.313 -2.841 1.00 10.22 N ATOM 1798 CA ASN A 112 -18.771 21.645 -2.858 1.00 52.10 C ATOM 1799 C ASN A 112 -17.269 21.537 -2.534 1.00 21.12 C ATOM 1800 O ASN A 112 -16.882 20.944 -1.522 1.00 2.52 O ATOM 1801 CB ASN A 112 -19.477 22.571 -1.855 1.00 13.34 C ATOM 1802 CG ASN A 112 -18.952 23.998 -1.890 1.00 0.12 C ATOM 1803 OD1 ASN A 112 -18.469 24.477 -2.911 1.00 51.04 O ATOM 1804 ND2 ASN A 112 -19.057 24.696 -0.777 1.00 74.42 N ATOM 0 H ASN A 112 -18.958 19.670 -2.174 1.00 10.22 H new ATOM 0 HA ASN A 112 -18.882 22.073 -3.854 1.00 52.10 H new ATOM 0 HB2 ASN A 112 -20.546 22.578 -2.066 1.00 13.34 H new ATOM 0 HB3 ASN A 112 -19.354 22.169 -0.849 1.00 13.34 H new ATOM 0 HD21 ASN A 112 -18.732 25.662 -0.749 1.00 74.42 H new ATOM 0 HD22 ASN A 112 -19.463 24.270 0.056 1.00 74.42 H new ATOM 1811 N GLN A 113 -16.431 22.101 -3.400 1.00 63.11 N ATOM 1812 CA GLN A 113 -14.971 22.010 -3.243 1.00 21.42 C ATOM 1813 C GLN A 113 -14.431 23.055 -2.251 1.00 64.12 C ATOM 1814 O GLN A 113 -14.981 24.151 -2.117 1.00 72.00 O ATOM 1815 CB GLN A 113 -14.287 22.174 -4.610 1.00 2.04 C ATOM 1816 CG GLN A 113 -14.639 23.476 -5.327 1.00 55.11 C ATOM 1817 CD GLN A 113 -14.023 23.586 -6.715 1.00 14.53 C ATOM 1818 OE1 GLN A 113 -12.857 23.000 -6.909 1.00 50.32 O flip ATOM 1819 NE2 GLN A 113 -14.592 24.194 -7.612 1.00 20.43 N flip ATOM 0 H GLN A 113 -16.732 22.627 -4.220 1.00 63.11 H new ATOM 0 HA GLN A 113 -14.743 21.025 -2.835 1.00 21.42 H new ATOM 0 HB2 GLN A 113 -13.207 22.127 -4.472 1.00 2.04 H new ATOM 0 HB3 GLN A 113 -14.564 21.334 -5.247 1.00 2.04 H new ATOM 0 HG2 GLN A 113 -15.723 23.555 -5.411 1.00 55.11 H new ATOM 0 HG3 GLN A 113 -14.304 24.318 -4.721 1.00 55.11 H new ATOM 0 HE21 GLN A 113 -15.493 24.638 -7.435 1.00 20.43 H new ATOM 0 HE22 GLN A 113 -14.165 24.257 -8.536 1.00 20.43 H new ATOM 1828 N THR A 114 -13.346 22.707 -1.556 1.00 12.43 N ATOM 1829 CA THR A 114 -12.722 23.614 -0.574 1.00 74.15 C ATOM 1830 C THR A 114 -11.734 24.589 -1.230 1.00 12.44 C ATOM 1831 O THR A 114 -11.264 25.532 -0.593 1.00 64.01 O ATOM 1832 CB THR A 114 -11.980 22.829 0.539 1.00 32.31 C ATOM 1833 OG1 THR A 114 -10.973 21.985 -0.039 1.00 61.33 O ATOM 1834 CG2 THR A 114 -12.955 21.978 1.348 1.00 23.32 C ATOM 0 H THR A 114 -12.877 21.806 -1.651 1.00 12.43 H new ATOM 0 HA THR A 114 -13.541 24.183 -0.134 1.00 74.15 H new ATOM 0 HB THR A 114 -11.510 23.552 1.206 1.00 32.31 H new ATOM 0 HG1 THR A 114 -10.509 21.495 0.672 1.00 61.33 H new ATOM 0 HG21 THR A 114 -12.410 21.437 2.122 1.00 23.32 H new ATOM 0 HG22 THR A 114 -13.702 22.622 1.812 1.00 23.32 H new ATOM 0 HG23 THR A 114 -13.450 21.266 0.688 1.00 23.32 H new ATOM 1842 N LEU A 115 -11.412 24.356 -2.504 1.00 61.13 N ATOM 1843 CA LEU A 115 -10.504 25.239 -3.251 1.00 73.32 C ATOM 1844 C LEU A 115 -11.286 26.176 -4.190 1.00 74.20 C ATOM 1845 O LEU A 115 -11.797 25.737 -5.223 1.00 70.53 O ATOM 1846 CB LEU A 115 -9.488 24.424 -4.073 1.00 64.54 C ATOM 1847 CG LEU A 115 -8.474 23.585 -3.266 1.00 3.41 C ATOM 1848 CD1 LEU A 115 -9.139 22.372 -2.617 1.00 32.03 C ATOM 1849 CD2 LEU A 115 -7.306 23.149 -4.153 1.00 74.22 C ATOM 0 H LEU A 115 -11.764 23.565 -3.043 1.00 61.13 H new ATOM 0 HA LEU A 115 -9.967 25.840 -2.518 1.00 73.32 H new ATOM 0 HB2 LEU A 115 -10.040 23.754 -4.732 1.00 64.54 H new ATOM 0 HB3 LEU A 115 -8.933 25.112 -4.711 1.00 64.54 H new ATOM 0 HG LEU A 115 -8.086 24.216 -2.467 1.00 3.41 H new ATOM 0 HD11 LEU A 115 -8.395 21.805 -2.057 1.00 32.03 H new ATOM 0 HD12 LEU A 115 -9.925 22.707 -1.940 1.00 32.03 H new ATOM 0 HD13 LEU A 115 -9.572 21.738 -3.390 1.00 32.03 H new ATOM 0 HD21 LEU A 115 -6.603 22.559 -3.565 1.00 74.22 H new ATOM 0 HD22 LEU A 115 -7.682 22.547 -4.980 1.00 74.22 H new ATOM 0 HD23 LEU A 115 -6.800 24.030 -4.547 1.00 74.22 H new ATOM 1861 N PRO A 116 -11.392 27.477 -3.840 1.00 31.20 N ATOM 1862 CA PRO A 116 -12.100 28.480 -4.669 1.00 33.24 C ATOM 1863 C PRO A 116 -11.459 28.677 -6.060 1.00 72.14 C ATOM 1864 O PRO A 116 -10.331 29.223 -6.135 1.00 37.26 O ATOM 1865 CB PRO A 116 -12.003 29.777 -3.837 1.00 12.52 C ATOM 1866 CG PRO A 116 -11.678 29.324 -2.453 1.00 53.41 C ATOM 1867 CD PRO A 116 -10.843 28.084 -2.615 1.00 22.41 C ATOM 1868 OXT PRO A 116 -12.094 28.305 -7.075 1.00 37.26 O ATOM 0 HA PRO A 116 -13.123 28.169 -4.881 1.00 33.24 H new ATOM 0 HB2 PRO A 116 -11.230 30.439 -4.227 1.00 12.52 H new ATOM 0 HB3 PRO A 116 -12.941 30.332 -3.861 1.00 12.52 H new ATOM 0 HG2 PRO A 116 -11.133 30.094 -1.907 1.00 53.41 H new ATOM 0 HG3 PRO A 116 -12.585 29.114 -1.887 1.00 53.41 H new ATOM 0 HD2 PRO A 116 -9.784 28.321 -2.721 1.00 22.41 H new ATOM 0 HD3 PRO A 116 -10.937 27.418 -1.757 1.00 22.41 H new TER 1876 PRO A 116