USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 ASN : amide:sc= -1.3! C(o=-0.81!,f=-7!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 176:sc= 0.497 (180deg=0) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -170:sc= 0.417 (180deg=-0.0955) USER MOD Set 2.2: A 99 GLN : amide:sc= 0.541 K(o=0.96,f=-4.4) USER MOD Set 3.1: A 30 SER OG : rot -23:sc= 0.688 USER MOD Set 3.2: A 61 TYR OH : rot 34:sc= -1.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.29 (180deg=0.936) USER MOD Single : A 3 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=-0.55) 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 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=-0.0027) USER MOD Single : A 9 SER OG : rot 180:sc= 0.133 USER MOD Single : A 10 HIS : no HD1:sc=-0.00421 X(o=-0.0042,f=-0.0042) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc=-0.00487 (180deg=-0.106) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -0.0549 (180deg=-0.303) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0807 (180deg=-0.394) USER MOD Single : A 38 THR OG1 : rot -133:sc= 0.302 USER MOD Single : A 43 SER OG : rot 81:sc= 0.792 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 118:sc= 0.0791 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0279 (180deg=-0.205) USER MOD Single : A 52 LYS NZ :NH3+ -129:sc= 0.0302 (180deg=-0.00169) USER MOD Single : A 53 MET CE :methyl -136:sc= -0.192 (180deg=-2.33) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.387 F(o=-0.91,f=-0.39) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 111:sc= 0.228 USER MOD Single : A 77 THR OG1 : rot -2:sc= -0.0445 USER MOD Single : A 79 ASN : amide:sc= 0.0903 K(o=0.09,f=-0.87) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -79:sc= -0.156 USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= 0.92 (180deg=0.0967) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 92 SER OG : rot 113:sc= 0.317 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0284) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 73:sc= -1.23! USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.598 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.736 -53.102 -17.589 1.00 71.44 N ATOM 2 CA MET A 1 -26.417 -53.702 -17.264 1.00 60.40 C ATOM 3 C MET A 1 -25.539 -52.737 -16.422 1.00 60.33 C ATOM 4 O MET A 1 -24.859 -51.857 -16.963 1.00 13.45 O ATOM 5 CB MET A 1 -25.681 -54.159 -18.564 1.00 14.52 C ATOM 6 CG MET A 1 -26.251 -55.440 -19.203 1.00 55.11 C ATOM 7 SD MET A 1 -28.012 -55.332 -19.600 1.00 14.43 S ATOM 8 CE MET A 1 -28.360 -56.981 -20.225 1.00 22.03 C ATOM 0 H1 MET A 1 -28.196 -53.660 -18.336 1.00 71.44 H new ATOM 0 H2 MET A 1 -28.336 -53.100 -16.739 1.00 71.44 H new ATOM 0 H3 MET A 1 -27.601 -52.125 -17.919 1.00 71.44 H new ATOM 0 HA MET A 1 -26.596 -54.585 -16.651 1.00 60.40 H new ATOM 0 HB2 MET A 1 -25.727 -53.352 -19.295 1.00 14.52 H new ATOM 0 HB3 MET A 1 -24.628 -54.321 -18.333 1.00 14.52 H new ATOM 0 HG2 MET A 1 -25.695 -55.659 -20.114 1.00 55.11 H new ATOM 0 HG3 MET A 1 -26.091 -56.277 -18.523 1.00 55.11 H new ATOM 0 HE1 MET A 1 -29.411 -57.049 -20.505 1.00 22.03 H new ATOM 0 HE2 MET A 1 -27.738 -57.178 -21.098 1.00 22.03 H new ATOM 0 HE3 MET A 1 -28.142 -57.717 -19.451 1.00 22.03 H new ATOM 20 N GLY A 2 -25.626 -52.878 -15.083 1.00 72.30 N ATOM 21 CA GLY A 2 -24.656 -52.274 -14.154 1.00 45.14 C ATOM 22 C GLY A 2 -24.942 -50.830 -13.703 1.00 1.23 C ATOM 23 O GLY A 2 -24.508 -50.439 -12.612 1.00 40.13 O ATOM 0 H GLY A 2 -26.364 -53.409 -14.621 1.00 72.30 H new ATOM 0 HA2 GLY A 2 -24.597 -52.903 -13.266 1.00 45.14 H new ATOM 0 HA3 GLY A 2 -23.673 -52.296 -14.625 1.00 45.14 H new ATOM 27 N HIS A 3 -25.647 -50.030 -14.533 1.00 31.52 N ATOM 28 CA HIS A 3 -25.855 -48.575 -14.260 1.00 61.14 C ATOM 29 C HIS A 3 -27.035 -47.980 -15.075 1.00 61.53 C ATOM 30 O HIS A 3 -27.275 -48.380 -16.217 1.00 2.54 O ATOM 31 CB HIS A 3 -24.552 -47.785 -14.573 1.00 51.25 C ATOM 32 CG HIS A 3 -24.064 -47.931 -16.001 1.00 62.31 C ATOM 33 ND1 HIS A 3 -23.531 -49.108 -16.481 1.00 4.32 N ATOM 34 CD2 HIS A 3 -24.068 -47.075 -17.058 1.00 2.41 C ATOM 35 CE1 HIS A 3 -23.233 -48.978 -17.756 1.00 63.34 C ATOM 36 NE2 HIS A 3 -23.543 -47.756 -18.132 1.00 24.52 N ATOM 0 H HIS A 3 -26.083 -50.357 -15.395 1.00 31.52 H new ATOM 0 HA HIS A 3 -26.107 -48.479 -13.204 1.00 61.14 H new ATOM 0 HB2 HIS A 3 -24.722 -46.729 -14.365 1.00 51.25 H new ATOM 0 HB3 HIS A 3 -23.766 -48.120 -13.896 1.00 51.25 H new ATOM 0 HD2 HIS A 3 -24.417 -46.053 -17.055 1.00 2.41 H new ATOM 0 HE1 HIS A 3 -22.806 -49.744 -18.387 1.00 63.34 H new ATOM 0 HE2 HIS A 3 -23.415 -47.375 -19.069 1.00 24.52 H new ATOM 45 N HIS A 4 -27.757 -47.020 -14.461 1.00 74.54 N ATOM 46 CA HIS A 4 -28.733 -46.154 -15.166 1.00 14.33 C ATOM 47 C HIS A 4 -27.990 -44.900 -15.705 1.00 44.35 C ATOM 48 O HIS A 4 -27.875 -44.698 -16.921 1.00 34.02 O ATOM 49 CB HIS A 4 -29.896 -45.748 -14.215 1.00 12.51 C ATOM 50 CG HIS A 4 -30.745 -46.900 -13.734 1.00 4.02 C ATOM 51 ND1 HIS A 4 -30.397 -47.712 -12.671 1.00 74.20 N ATOM 52 CD2 HIS A 4 -31.932 -47.380 -14.183 1.00 52.13 C ATOM 53 CE1 HIS A 4 -31.327 -48.630 -12.490 1.00 42.33 C ATOM 54 NE2 HIS A 4 -32.263 -48.450 -13.391 1.00 34.45 N ATOM 0 H HIS A 4 -27.682 -46.821 -13.463 1.00 74.54 H new ATOM 0 HA HIS A 4 -29.172 -46.700 -16.001 1.00 14.33 H new ATOM 0 HB2 HIS A 4 -29.478 -45.236 -13.349 1.00 12.51 H new ATOM 0 HB3 HIS A 4 -30.536 -45.032 -14.730 1.00 12.51 H new ATOM 0 HD2 HIS A 4 -32.509 -46.992 -15.010 1.00 52.13 H new ATOM 0 HE1 HIS A 4 -31.319 -49.398 -11.730 1.00 42.33 H new ATOM 0 HE2 HIS A 4 -33.105 -49.017 -13.488 1.00 34.45 H new ATOM 63 N HIS A 5 -27.477 -44.076 -14.769 1.00 24.24 N ATOM 64 CA HIS A 5 -26.561 -42.950 -15.063 1.00 14.35 C ATOM 65 C HIS A 5 -25.446 -42.928 -13.995 1.00 3.50 C ATOM 66 O HIS A 5 -25.651 -42.443 -12.873 1.00 43.51 O ATOM 67 CB HIS A 5 -27.301 -41.579 -15.102 1.00 32.23 C ATOM 68 CG HIS A 5 -28.143 -41.371 -16.333 1.00 55.35 C ATOM 69 ND1 HIS A 5 -27.615 -40.928 -17.526 1.00 72.42 N ATOM 70 CD2 HIS A 5 -29.465 -41.556 -16.563 1.00 1.22 C ATOM 71 CE1 HIS A 5 -28.564 -40.851 -18.429 1.00 52.55 C ATOM 72 NE2 HIS A 5 -29.699 -41.226 -17.876 1.00 51.23 N ATOM 0 H HIS A 5 -27.688 -44.173 -13.776 1.00 24.24 H new ATOM 0 HA HIS A 5 -26.135 -43.103 -16.055 1.00 14.35 H new ATOM 0 HB2 HIS A 5 -27.938 -41.496 -14.221 1.00 32.23 H new ATOM 0 HB3 HIS A 5 -26.564 -40.778 -15.039 1.00 32.23 H new ATOM 0 HD2 HIS A 5 -30.198 -41.899 -15.848 1.00 1.22 H new ATOM 0 HE1 HIS A 5 -28.436 -40.534 -19.453 1.00 52.55 H new ATOM 0 HE2 HIS A 5 -30.604 -41.265 -18.346 1.00 51.23 H new ATOM 81 N HIS A 6 -24.282 -43.503 -14.348 1.00 31.12 N ATOM 82 CA HIS A 6 -23.107 -43.561 -13.455 1.00 22.33 C ATOM 83 C HIS A 6 -22.466 -42.154 -13.310 1.00 53.45 C ATOM 84 O HIS A 6 -22.060 -41.757 -12.217 1.00 22.03 O ATOM 85 CB HIS A 6 -22.088 -44.586 -14.013 1.00 14.25 C ATOM 86 CG HIS A 6 -20.900 -44.844 -13.115 1.00 11.32 C ATOM 87 ND1 HIS A 6 -20.884 -45.838 -12.162 1.00 2.44 N ATOM 88 CD2 HIS A 6 -19.682 -44.245 -13.036 1.00 11.03 C ATOM 89 CE1 HIS A 6 -19.723 -45.837 -11.539 1.00 54.23 C ATOM 90 NE2 HIS A 6 -18.978 -44.884 -12.050 1.00 32.32 N ATOM 0 H HIS A 6 -24.128 -43.940 -15.257 1.00 31.12 H new ATOM 0 HA HIS A 6 -23.420 -43.884 -12.462 1.00 22.33 H new ATOM 0 HB2 HIS A 6 -22.603 -45.530 -14.193 1.00 14.25 H new ATOM 0 HB3 HIS A 6 -21.727 -44.231 -14.978 1.00 14.25 H new ATOM 0 HD2 HIS A 6 -19.334 -43.419 -13.639 1.00 11.03 H new ATOM 0 HE1 HIS A 6 -19.433 -46.507 -10.743 1.00 54.23 H new ATOM 0 HE2 HIS A 6 -18.027 -44.656 -11.759 1.00 32.32 H new ATOM 99 N HIS A 7 -22.386 -41.414 -14.433 1.00 41.43 N ATOM 100 CA HIS A 7 -21.868 -40.031 -14.450 1.00 25.30 C ATOM 101 C HIS A 7 -23.030 -39.031 -14.215 1.00 2.35 C ATOM 102 O HIS A 7 -23.913 -38.892 -15.068 1.00 60.20 O ATOM 103 CB HIS A 7 -21.167 -39.749 -15.805 1.00 64.40 C ATOM 104 CG HIS A 7 -20.356 -38.476 -15.824 1.00 72.32 C ATOM 105 ND1 HIS A 7 -20.883 -37.249 -16.156 1.00 23.42 N ATOM 106 CD2 HIS A 7 -19.052 -38.245 -15.534 1.00 33.33 C ATOM 107 CE1 HIS A 7 -19.948 -36.328 -16.076 1.00 41.24 C ATOM 108 NE2 HIS A 7 -18.826 -36.902 -15.702 1.00 23.15 N ATOM 0 H HIS A 7 -22.677 -41.755 -15.349 1.00 41.43 H new ATOM 0 HA HIS A 7 -21.138 -39.907 -13.650 1.00 25.30 H new ATOM 0 HB2 HIS A 7 -20.513 -40.588 -16.046 1.00 64.40 H new ATOM 0 HB3 HIS A 7 -21.922 -39.698 -16.589 1.00 64.40 H new ATOM 0 HD2 HIS A 7 -18.325 -38.982 -15.227 1.00 33.33 H new ATOM 0 HE1 HIS A 7 -20.080 -35.276 -16.283 1.00 41.24 H new ATOM 0 HE2 HIS A 7 -17.934 -36.427 -15.560 1.00 23.15 H new ATOM 117 N HIS A 8 -23.028 -38.357 -13.046 1.00 53.15 N ATOM 118 CA HIS A 8 -24.090 -37.393 -12.660 1.00 14.33 C ATOM 119 C HIS A 8 -23.564 -36.399 -11.589 1.00 24.14 C ATOM 120 O HIS A 8 -22.961 -36.825 -10.595 1.00 30.22 O ATOM 121 CB HIS A 8 -25.353 -38.149 -12.140 1.00 64.30 C ATOM 122 CG HIS A 8 -25.116 -38.958 -10.884 1.00 43.13 C ATOM 123 ND1 HIS A 8 -25.408 -38.489 -9.620 1.00 12.22 N ATOM 124 CD2 HIS A 8 -24.570 -40.185 -10.698 1.00 33.41 C ATOM 125 CE1 HIS A 8 -25.051 -39.380 -8.723 1.00 3.22 C ATOM 126 NE2 HIS A 8 -24.540 -40.418 -9.344 1.00 31.41 N ATOM 0 H HIS A 8 -22.296 -38.462 -12.344 1.00 53.15 H new ATOM 0 HA HIS A 8 -24.373 -36.822 -13.544 1.00 14.33 H new ATOM 0 HB2 HIS A 8 -26.144 -37.424 -11.948 1.00 64.30 H new ATOM 0 HB3 HIS A 8 -25.714 -38.814 -12.925 1.00 64.30 H new ATOM 0 HD2 HIS A 8 -24.223 -40.855 -11.471 1.00 33.41 H new ATOM 0 HE1 HIS A 8 -25.160 -39.276 -7.654 1.00 3.22 H new ATOM 0 HE2 HIS A 8 -24.180 -41.260 -8.895 1.00 31.41 H new ATOM 135 N SER A 9 -23.777 -35.078 -11.827 1.00 33.14 N ATOM 136 CA SER A 9 -23.417 -33.979 -10.862 1.00 4.31 C ATOM 137 C SER A 9 -21.883 -33.975 -10.531 1.00 54.32 C ATOM 138 O SER A 9 -21.084 -34.541 -11.290 1.00 22.33 O ATOM 139 CB SER A 9 -24.298 -34.109 -9.573 1.00 53.44 C ATOM 140 OG SER A 9 -24.097 -33.038 -8.648 1.00 35.22 O ATOM 0 H SER A 9 -24.202 -34.735 -12.688 1.00 33.14 H new ATOM 0 HA SER A 9 -23.626 -33.017 -11.329 1.00 4.31 H new ATOM 0 HB2 SER A 9 -25.349 -34.141 -9.860 1.00 53.44 H new ATOM 0 HB3 SER A 9 -24.073 -35.055 -9.080 1.00 53.44 H new ATOM 0 HG SER A 9 -24.672 -33.169 -7.865 1.00 35.22 H new ATOM 146 N HIS A 10 -21.478 -33.255 -9.452 1.00 71.13 N ATOM 147 CA HIS A 10 -20.109 -33.328 -8.844 1.00 23.50 C ATOM 148 C HIS A 10 -18.997 -32.646 -9.715 1.00 44.03 C ATOM 149 O HIS A 10 -17.868 -32.455 -9.243 1.00 75.34 O ATOM 150 CB HIS A 10 -19.754 -34.819 -8.507 1.00 34.33 C ATOM 151 CG HIS A 10 -18.495 -35.033 -7.700 1.00 22.42 C ATOM 152 ND1 HIS A 10 -18.450 -34.900 -6.330 1.00 62.42 N ATOM 153 CD2 HIS A 10 -17.234 -35.374 -8.073 1.00 64.12 C ATOM 154 CE1 HIS A 10 -17.230 -35.145 -5.898 1.00 40.30 C ATOM 155 NE2 HIS A 10 -16.474 -35.436 -6.933 1.00 32.33 N ATOM 0 H HIS A 10 -22.093 -32.599 -8.970 1.00 71.13 H new ATOM 0 HA HIS A 10 -20.137 -32.750 -7.920 1.00 23.50 H new ATOM 0 HB2 HIS A 10 -20.590 -35.257 -7.962 1.00 34.33 H new ATOM 0 HB3 HIS A 10 -19.660 -35.370 -9.443 1.00 34.33 H new ATOM 0 HD2 HIS A 10 -16.893 -35.562 -9.081 1.00 64.12 H new ATOM 0 HE1 HIS A 10 -16.906 -35.112 -4.868 1.00 40.30 H new ATOM 0 HE2 HIS A 10 -15.482 -35.670 -6.895 1.00 32.33 H new ATOM 164 N MET A 11 -19.329 -32.250 -10.963 1.00 63.22 N ATOM 165 CA MET A 11 -18.345 -31.724 -11.941 1.00 63.33 C ATOM 166 C MET A 11 -18.041 -30.212 -11.703 1.00 41.53 C ATOM 167 O MET A 11 -18.610 -29.341 -12.371 1.00 21.11 O ATOM 168 CB MET A 11 -18.853 -31.991 -13.399 1.00 20.10 C ATOM 169 CG MET A 11 -17.882 -31.571 -14.519 1.00 74.21 C ATOM 170 SD MET A 11 -18.596 -31.753 -16.172 1.00 70.01 S ATOM 171 CE MET A 11 -17.309 -31.021 -17.185 1.00 71.43 C ATOM 0 H MET A 11 -20.283 -32.285 -11.322 1.00 63.22 H new ATOM 0 HA MET A 11 -17.402 -32.252 -11.800 1.00 63.33 H new ATOM 0 HB2 MET A 11 -19.065 -33.055 -13.504 1.00 20.10 H new ATOM 0 HB3 MET A 11 -19.796 -31.463 -13.541 1.00 20.10 H new ATOM 0 HG2 MET A 11 -17.588 -30.532 -14.368 1.00 74.21 H new ATOM 0 HG3 MET A 11 -16.975 -32.172 -14.452 1.00 74.21 H new ATOM 0 HE1 MET A 11 -17.605 -31.060 -18.233 1.00 71.43 H new ATOM 0 HE2 MET A 11 -17.159 -29.983 -16.888 1.00 71.43 H new ATOM 0 HE3 MET A 11 -16.380 -31.575 -17.050 1.00 71.43 H new ATOM 181 N ILE A 12 -17.169 -29.949 -10.697 1.00 44.04 N ATOM 182 CA ILE A 12 -16.579 -28.614 -10.370 1.00 52.01 C ATOM 183 C ILE A 12 -17.612 -27.441 -10.362 1.00 4.42 C ATOM 184 O ILE A 12 -17.895 -26.820 -11.398 1.00 41.01 O ATOM 185 CB ILE A 12 -15.363 -28.295 -11.318 1.00 13.34 C ATOM 186 CG1 ILE A 12 -14.353 -29.495 -11.324 1.00 64.44 C ATOM 187 CG2 ILE A 12 -14.660 -26.968 -10.908 1.00 63.01 C ATOM 188 CD1 ILE A 12 -13.197 -29.367 -12.301 1.00 25.25 C ATOM 0 H ILE A 12 -16.843 -30.681 -10.066 1.00 44.04 H new ATOM 0 HA ILE A 12 -16.223 -28.690 -9.343 1.00 52.01 H new ATOM 0 HB ILE A 12 -15.743 -28.160 -12.331 1.00 13.34 H new ATOM 0 HG12 ILE A 12 -13.947 -29.611 -10.319 1.00 64.44 H new ATOM 0 HG13 ILE A 12 -14.901 -30.409 -11.554 1.00 64.44 H new ATOM 0 HG21 ILE A 12 -13.825 -26.776 -11.581 1.00 63.01 H new ATOM 0 HG22 ILE A 12 -15.372 -26.145 -10.969 1.00 63.01 H new ATOM 0 HG23 ILE A 12 -14.290 -27.053 -9.886 1.00 63.01 H new ATOM 0 HD11 ILE A 12 -12.558 -30.247 -12.226 1.00 25.25 H new ATOM 0 HD12 ILE A 12 -13.586 -29.286 -13.316 1.00 25.25 H new ATOM 0 HD13 ILE A 12 -12.616 -28.476 -12.063 1.00 25.25 H new ATOM 200 N LYS A 13 -18.172 -27.164 -9.174 1.00 34.45 N ATOM 201 CA LYS A 13 -19.228 -26.136 -8.976 1.00 11.34 C ATOM 202 C LYS A 13 -18.717 -24.938 -8.126 1.00 71.32 C ATOM 203 O LYS A 13 -19.285 -23.844 -8.177 1.00 21.33 O ATOM 204 CB LYS A 13 -20.454 -26.819 -8.306 1.00 54.42 C ATOM 205 CG LYS A 13 -21.737 -25.953 -8.229 1.00 23.30 C ATOM 206 CD LYS A 13 -22.938 -26.725 -7.628 1.00 40.54 C ATOM 207 CE LYS A 13 -24.241 -25.903 -7.651 1.00 52.14 C ATOM 208 NZ LYS A 13 -24.694 -25.608 -9.037 1.00 61.22 N ATOM 0 H LYS A 13 -17.909 -27.645 -8.314 1.00 34.45 H new ATOM 0 HA LYS A 13 -19.515 -25.723 -9.943 1.00 11.34 H new ATOM 0 HB2 LYS A 13 -20.685 -27.732 -8.855 1.00 54.42 H new ATOM 0 HB3 LYS A 13 -20.175 -27.116 -7.295 1.00 54.42 H new ATOM 0 HG2 LYS A 13 -21.539 -25.068 -7.624 1.00 23.30 H new ATOM 0 HG3 LYS A 13 -21.997 -25.604 -9.229 1.00 23.30 H new ATOM 0 HD2 LYS A 13 -23.086 -27.650 -8.185 1.00 40.54 H new ATOM 0 HD3 LYS A 13 -22.708 -27.005 -6.600 1.00 40.54 H new ATOM 0 HE2 LYS A 13 -25.023 -26.449 -7.123 1.00 52.14 H new ATOM 0 HE3 LYS A 13 -24.088 -24.967 -7.113 1.00 52.14 H new ATOM 0 HZ1 LYS A 13 -25.646 -25.189 -9.009 1.00 61.22 H new ATOM 0 HZ2 LYS A 13 -24.034 -24.939 -9.483 1.00 61.22 H new ATOM 0 HZ3 LYS A 13 -24.719 -26.489 -9.589 1.00 61.22 H new ATOM 222 N ARG A 14 -17.626 -25.156 -7.360 1.00 4.23 N ATOM 223 CA ARG A 14 -17.080 -24.162 -6.402 1.00 24.23 C ATOM 224 C ARG A 14 -15.875 -23.390 -6.990 1.00 42.11 C ATOM 225 O ARG A 14 -14.959 -23.989 -7.564 1.00 51.13 O ATOM 226 CB ARG A 14 -16.640 -24.874 -5.096 1.00 33.14 C ATOM 227 CG ARG A 14 -17.756 -25.685 -4.406 1.00 25.42 C ATOM 228 CD ARG A 14 -17.256 -26.467 -3.180 1.00 23.44 C ATOM 229 NE ARG A 14 -18.308 -27.342 -2.624 1.00 62.31 N ATOM 230 CZ ARG A 14 -18.118 -28.301 -1.748 1.00 54.04 C ATOM 231 NH1 ARG A 14 -16.932 -28.576 -1.292 1.00 42.13 N ATOM 232 NH2 ARG A 14 -19.133 -28.986 -1.341 1.00 41.45 N ATOM 0 H ARG A 14 -17.096 -26.027 -7.386 1.00 4.23 H new ATOM 0 HA ARG A 14 -17.873 -23.444 -6.193 1.00 24.23 H new ATOM 0 HB2 ARG A 14 -15.809 -25.542 -5.323 1.00 33.14 H new ATOM 0 HB3 ARG A 14 -16.266 -24.126 -4.397 1.00 33.14 H new ATOM 0 HG2 ARG A 14 -18.553 -25.008 -4.099 1.00 25.42 H new ATOM 0 HG3 ARG A 14 -18.189 -26.382 -5.124 1.00 25.42 H new ATOM 0 HD2 ARG A 14 -16.392 -27.070 -3.460 1.00 23.44 H new ATOM 0 HD3 ARG A 14 -16.922 -25.768 -2.414 1.00 23.44 H new ATOM 0 HE ARG A 14 -19.263 -27.188 -2.948 1.00 62.31 H new ATOM 0 HH11 ARG A 14 -16.125 -28.042 -1.615 1.00 42.13 H new ATOM 0 HH12 ARG A 14 -16.808 -29.326 -0.612 1.00 42.13 H new ATOM 0 HH21 ARG A 14 -20.065 -28.779 -1.700 1.00 41.45 H new ATOM 0 HH22 ARG A 14 -19.003 -29.735 -0.661 1.00 41.45 H new ATOM 246 N THR A 15 -15.900 -22.057 -6.837 1.00 21.35 N ATOM 247 CA THR A 15 -14.737 -21.177 -7.136 1.00 2.04 C ATOM 248 C THR A 15 -13.767 -21.111 -5.933 1.00 3.40 C ATOM 249 O THR A 15 -12.542 -21.045 -6.118 1.00 61.04 O ATOM 250 CB THR A 15 -15.187 -19.721 -7.498 1.00 50.32 C ATOM 251 OG1 THR A 15 -15.992 -19.167 -6.434 1.00 12.23 O ATOM 252 CG2 THR A 15 -15.978 -19.678 -8.822 1.00 72.04 C ATOM 0 H THR A 15 -16.720 -21.550 -6.504 1.00 21.35 H new ATOM 0 HA THR A 15 -14.230 -21.615 -7.995 1.00 2.04 H new ATOM 0 HB THR A 15 -14.284 -19.123 -7.624 1.00 50.32 H new ATOM 0 HG1 THR A 15 -16.266 -18.256 -6.671 1.00 12.23 H new ATOM 0 HG21 THR A 15 -16.272 -18.651 -9.037 1.00 72.04 H new ATOM 0 HG22 THR A 15 -15.353 -20.054 -9.632 1.00 72.04 H new ATOM 0 HG23 THR A 15 -16.869 -20.299 -8.734 1.00 72.04 H new ATOM 260 N ASN A 16 -14.351 -21.133 -4.703 1.00 22.23 N ATOM 261 CA ASN A 16 -13.619 -21.085 -3.410 1.00 22.12 C ATOM 262 C ASN A 16 -12.892 -19.718 -3.238 1.00 0.34 C ATOM 263 O ASN A 16 -11.672 -19.622 -3.433 1.00 54.41 O ATOM 264 CB ASN A 16 -12.640 -22.301 -3.284 1.00 43.11 C ATOM 265 CG ASN A 16 -12.095 -22.560 -1.869 1.00 24.12 C ATOM 266 OD1 ASN A 16 -11.977 -21.662 -1.044 1.00 43.05 O ATOM 267 ND2 ASN A 16 -11.741 -23.801 -1.584 1.00 44.22 N ATOM 0 H ASN A 16 -15.363 -21.186 -4.583 1.00 22.23 H new ATOM 0 HA ASN A 16 -14.338 -21.168 -2.595 1.00 22.12 H new ATOM 0 HB2 ASN A 16 -13.155 -23.198 -3.627 1.00 43.11 H new ATOM 0 HB3 ASN A 16 -11.797 -22.140 -3.957 1.00 43.11 H new ATOM 0 HD21 ASN A 16 -11.362 -24.025 -0.664 1.00 44.22 H new ATOM 0 HD22 ASN A 16 -11.847 -24.535 -2.284 1.00 44.22 H new ATOM 274 N GLU A 17 -13.687 -18.673 -2.889 1.00 2.24 N ATOM 275 CA GLU A 17 -13.224 -17.273 -2.738 1.00 51.35 C ATOM 276 C GLU A 17 -12.649 -16.694 -4.069 1.00 53.33 C ATOM 277 O GLU A 17 -11.500 -16.980 -4.431 1.00 44.30 O ATOM 278 CB GLU A 17 -12.210 -17.133 -1.563 1.00 10.44 C ATOM 279 CG GLU A 17 -11.631 -15.712 -1.367 1.00 73.33 C ATOM 280 CD GLU A 17 -10.812 -15.558 -0.070 1.00 62.34 C ATOM 281 OE1 GLU A 17 -11.403 -15.208 0.978 1.00 4.43 O ATOM 282 OE2 GLU A 17 -9.583 -15.808 -0.085 1.00 31.32 O ATOM 0 H GLU A 17 -14.684 -18.784 -2.702 1.00 2.24 H new ATOM 0 HA GLU A 17 -14.100 -16.673 -2.490 1.00 51.35 H new ATOM 0 HB2 GLU A 17 -12.702 -17.440 -0.640 1.00 10.44 H new ATOM 0 HB3 GLU A 17 -11.385 -17.826 -1.730 1.00 10.44 H new ATOM 0 HG2 GLU A 17 -10.998 -15.465 -2.219 1.00 73.33 H new ATOM 0 HG3 GLU A 17 -12.449 -14.992 -1.359 1.00 73.33 H new ATOM 289 N PRO A 18 -13.471 -15.899 -4.839 1.00 71.53 N ATOM 290 CA PRO A 18 -12.981 -15.108 -5.999 1.00 22.24 C ATOM 291 C PRO A 18 -11.782 -14.193 -5.635 1.00 22.41 C ATOM 292 O PRO A 18 -11.773 -13.560 -4.569 1.00 1.11 O ATOM 293 CB PRO A 18 -14.215 -14.253 -6.408 1.00 2.13 C ATOM 294 CG PRO A 18 -15.394 -15.044 -5.931 1.00 62.40 C ATOM 295 CD PRO A 18 -14.939 -15.742 -4.662 1.00 43.13 C ATOM 0 HA PRO A 18 -12.610 -15.752 -6.796 1.00 22.24 H new ATOM 0 HB2 PRO A 18 -14.185 -13.267 -5.945 1.00 2.13 H new ATOM 0 HB3 PRO A 18 -14.251 -14.098 -7.486 1.00 2.13 H new ATOM 0 HG2 PRO A 18 -16.247 -14.394 -5.735 1.00 62.40 H new ATOM 0 HG3 PRO A 18 -15.710 -15.767 -6.683 1.00 62.40 H new ATOM 0 HD2 PRO A 18 -15.172 -15.151 -3.777 1.00 43.13 H new ATOM 0 HD3 PRO A 18 -15.431 -16.707 -4.540 1.00 43.13 H new ATOM 303 N LEU A 19 -10.787 -14.130 -6.532 1.00 0.32 N ATOM 304 CA LEU A 19 -9.598 -13.263 -6.369 1.00 64.12 C ATOM 305 C LEU A 19 -10.006 -11.766 -6.413 1.00 55.44 C ATOM 306 O LEU A 19 -9.336 -10.905 -5.835 1.00 35.41 O ATOM 307 CB LEU A 19 -8.546 -13.613 -7.470 1.00 42.45 C ATOM 308 CG LEU A 19 -7.059 -13.647 -7.014 1.00 74.41 C ATOM 309 CD1 LEU A 19 -6.538 -12.263 -6.584 1.00 64.53 C ATOM 310 CD2 LEU A 19 -6.844 -14.694 -5.894 1.00 2.10 C ATOM 0 H LEU A 19 -10.779 -14.677 -7.393 1.00 0.32 H new ATOM 0 HA LEU A 19 -9.144 -13.442 -5.394 1.00 64.12 H new ATOM 0 HB2 LEU A 19 -8.799 -14.588 -7.887 1.00 42.45 H new ATOM 0 HB3 LEU A 19 -8.640 -12.886 -8.277 1.00 42.45 H new ATOM 0 HG LEU A 19 -6.473 -13.946 -7.883 1.00 74.41 H new ATOM 0 HD11 LEU A 19 -5.496 -12.346 -6.276 1.00 64.53 H new ATOM 0 HD12 LEU A 19 -6.615 -11.569 -7.421 1.00 64.53 H new ATOM 0 HD13 LEU A 19 -7.134 -11.893 -5.750 1.00 64.53 H new ATOM 0 HD21 LEU A 19 -5.796 -14.696 -5.594 1.00 2.10 H new ATOM 0 HD22 LEU A 19 -7.466 -14.441 -5.035 1.00 2.10 H new ATOM 0 HD23 LEU A 19 -7.118 -15.682 -6.262 1.00 2.10 H new ATOM 322 N ASP A 20 -11.119 -11.496 -7.111 1.00 54.42 N ATOM 323 CA ASP A 20 -11.796 -10.180 -7.120 1.00 54.23 C ATOM 324 C ASP A 20 -12.124 -9.720 -5.680 1.00 24.42 C ATOM 325 O ASP A 20 -11.930 -8.554 -5.331 1.00 75.41 O ATOM 326 CB ASP A 20 -13.103 -10.264 -7.949 1.00 12.31 C ATOM 327 CG ASP A 20 -12.909 -10.982 -9.289 1.00 63.43 C ATOM 328 OD1 ASP A 20 -12.429 -10.353 -10.254 1.00 11.32 O ATOM 329 OD2 ASP A 20 -13.210 -12.190 -9.369 1.00 73.31 O ATOM 0 H ASP A 20 -11.584 -12.191 -7.694 1.00 54.42 H new ATOM 0 HA ASP A 20 -11.123 -9.452 -7.573 1.00 54.23 H new ATOM 0 HB2 ASP A 20 -13.864 -10.786 -7.369 1.00 12.31 H new ATOM 0 HB3 ASP A 20 -13.478 -9.257 -8.132 1.00 12.31 H new ATOM 334 N LYS A 21 -12.614 -10.669 -4.852 1.00 5.42 N ATOM 335 CA LYS A 21 -12.941 -10.413 -3.432 1.00 14.13 C ATOM 336 C LYS A 21 -11.677 -10.252 -2.553 1.00 64.51 C ATOM 337 O LYS A 21 -11.715 -9.506 -1.566 1.00 72.05 O ATOM 338 CB LYS A 21 -13.851 -11.530 -2.865 1.00 62.22 C ATOM 339 CG LYS A 21 -15.239 -11.610 -3.532 1.00 3.22 C ATOM 340 CD LYS A 21 -16.194 -12.570 -2.793 1.00 22.44 C ATOM 341 CE LYS A 21 -17.597 -12.598 -3.422 1.00 33.14 C ATOM 342 NZ LYS A 21 -18.531 -13.446 -2.645 1.00 23.31 N ATOM 0 H LYS A 21 -12.793 -11.629 -5.147 1.00 5.42 H new ATOM 0 HA LYS A 21 -13.480 -9.466 -3.401 1.00 14.13 H new ATOM 0 HB2 LYS A 21 -13.347 -12.489 -2.983 1.00 62.22 H new ATOM 0 HB3 LYS A 21 -13.983 -11.369 -1.795 1.00 62.22 H new ATOM 0 HG2 LYS A 21 -15.682 -10.614 -3.563 1.00 3.22 H new ATOM 0 HG3 LYS A 21 -15.124 -11.940 -4.564 1.00 3.22 H new ATOM 0 HD2 LYS A 21 -15.774 -13.576 -2.803 1.00 22.44 H new ATOM 0 HD3 LYS A 21 -16.273 -12.268 -1.749 1.00 22.44 H new ATOM 0 HE2 LYS A 21 -17.990 -11.583 -3.480 1.00 33.14 H new ATOM 0 HE3 LYS A 21 -17.530 -12.972 -4.443 1.00 33.14 H new ATOM 0 HZ1 LYS A 21 -19.466 -13.440 -3.100 1.00 23.31 H new ATOM 0 HZ2 LYS A 21 -18.169 -14.420 -2.611 1.00 23.31 H new ATOM 0 HZ3 LYS A 21 -18.615 -13.074 -1.677 1.00 23.31 H new ATOM 356 N LYS A 22 -10.574 -10.961 -2.894 1.00 2.02 N ATOM 357 CA LYS A 22 -9.268 -10.777 -2.199 1.00 23.13 C ATOM 358 C LYS A 22 -8.755 -9.336 -2.402 1.00 52.11 C ATOM 359 O LYS A 22 -8.411 -8.644 -1.441 1.00 2.11 O ATOM 360 CB LYS A 22 -8.184 -11.761 -2.719 1.00 4.21 C ATOM 361 CG LYS A 22 -6.811 -11.604 -2.003 1.00 65.24 C ATOM 362 CD LYS A 22 -5.649 -12.283 -2.748 1.00 43.03 C ATOM 363 CE LYS A 22 -4.333 -12.249 -1.945 1.00 63.12 C ATOM 364 NZ LYS A 22 -4.458 -12.947 -0.636 1.00 64.33 N ATOM 0 H LYS A 22 -10.557 -11.659 -3.637 1.00 2.02 H new ATOM 0 HA LYS A 22 -9.443 -10.978 -1.142 1.00 23.13 H new ATOM 0 HB2 LYS A 22 -8.539 -12.783 -2.588 1.00 4.21 H new ATOM 0 HB3 LYS A 22 -8.047 -11.606 -3.789 1.00 4.21 H new ATOM 0 HG2 LYS A 22 -6.589 -10.543 -1.889 1.00 65.24 H new ATOM 0 HG3 LYS A 22 -6.883 -12.024 -1.000 1.00 65.24 H new ATOM 0 HD2 LYS A 22 -5.914 -13.319 -2.961 1.00 43.03 H new ATOM 0 HD3 LYS A 22 -5.498 -11.788 -3.708 1.00 43.03 H new ATOM 0 HE2 LYS A 22 -3.540 -12.715 -2.530 1.00 63.12 H new ATOM 0 HE3 LYS A 22 -4.038 -11.213 -1.776 1.00 63.12 H new ATOM 0 HZ1 LYS A 22 -3.511 -13.125 -0.245 1.00 64.33 H new ATOM 0 HZ2 LYS A 22 -4.999 -12.353 0.024 1.00 64.33 H new ATOM 0 HZ3 LYS A 22 -4.952 -13.852 -0.771 1.00 64.33 H new ATOM 378 N ARG A 23 -8.708 -8.913 -3.681 1.00 4.22 N ATOM 379 CA ARG A 23 -8.283 -7.553 -4.074 1.00 3.30 C ATOM 380 C ARG A 23 -9.208 -6.492 -3.463 1.00 11.22 C ATOM 381 O ARG A 23 -8.730 -5.484 -2.974 1.00 2.15 O ATOM 382 CB ARG A 23 -8.237 -7.424 -5.619 1.00 32.34 C ATOM 383 CG ARG A 23 -7.121 -8.264 -6.270 1.00 60.24 C ATOM 384 CD ARG A 23 -7.162 -8.272 -7.810 1.00 1.54 C ATOM 385 NE ARG A 23 -6.185 -9.229 -8.377 1.00 74.43 N ATOM 386 CZ ARG A 23 -5.857 -9.341 -9.648 1.00 2.43 C ATOM 387 NH1 ARG A 23 -6.362 -8.555 -10.551 1.00 40.25 N ATOM 388 NH2 ARG A 23 -5.010 -10.253 -10.012 1.00 25.01 N ATOM 0 H ARG A 23 -8.964 -9.504 -4.472 1.00 4.22 H new ATOM 0 HA ARG A 23 -7.278 -7.383 -3.686 1.00 3.30 H new ATOM 0 HB2 ARG A 23 -9.199 -7.730 -6.031 1.00 32.34 H new ATOM 0 HB3 ARG A 23 -8.095 -6.376 -5.885 1.00 32.34 H new ATOM 0 HG2 ARG A 23 -6.154 -7.880 -5.944 1.00 60.24 H new ATOM 0 HG3 ARG A 23 -7.195 -9.290 -5.909 1.00 60.24 H new ATOM 0 HD2 ARG A 23 -8.165 -8.534 -8.146 1.00 1.54 H new ATOM 0 HD3 ARG A 23 -6.951 -7.271 -8.185 1.00 1.54 H new ATOM 0 HE ARG A 23 -5.723 -9.860 -7.723 1.00 74.43 H new ATOM 0 HH11 ARG A 23 -7.028 -7.831 -10.282 1.00 40.25 H new ATOM 0 HH12 ARG A 23 -6.092 -8.662 -11.529 1.00 40.25 H new ATOM 0 HH21 ARG A 23 -4.603 -10.878 -9.316 1.00 25.01 H new ATOM 0 HH22 ARG A 23 -4.751 -10.346 -10.994 1.00 25.01 H new ATOM 402 N ALA A 24 -10.529 -6.762 -3.466 1.00 61.05 N ATOM 403 CA ALA A 24 -11.542 -5.882 -2.829 1.00 4.24 C ATOM 404 C ALA A 24 -11.254 -5.692 -1.321 1.00 42.05 C ATOM 405 O ALA A 24 -11.430 -4.598 -0.789 1.00 50.11 O ATOM 406 CB ALA A 24 -12.954 -6.455 -3.027 1.00 71.13 C ATOM 0 H ALA A 24 -10.927 -7.591 -3.907 1.00 61.05 H new ATOM 0 HA ALA A 24 -11.483 -4.907 -3.312 1.00 4.24 H new ATOM 0 HB1 ALA A 24 -13.683 -5.797 -2.554 1.00 71.13 H new ATOM 0 HB2 ALA A 24 -13.170 -6.529 -4.093 1.00 71.13 H new ATOM 0 HB3 ALA A 24 -13.011 -7.445 -2.575 1.00 71.13 H new ATOM 412 N ARG A 25 -10.812 -6.783 -0.653 1.00 74.23 N ATOM 413 CA ARG A 25 -10.420 -6.767 0.777 1.00 43.03 C ATOM 414 C ARG A 25 -9.136 -5.928 1.014 1.00 13.25 C ATOM 415 O ARG A 25 -9.042 -5.200 2.002 1.00 2.11 O ATOM 416 CB ARG A 25 -10.196 -8.214 1.297 1.00 44.25 C ATOM 417 CG ARG A 25 -9.919 -8.309 2.823 1.00 33.51 C ATOM 418 CD ARG A 25 -9.399 -9.692 3.261 1.00 21.14 C ATOM 419 NE ARG A 25 -10.284 -10.797 2.860 1.00 14.42 N ATOM 420 CZ ARG A 25 -10.153 -12.050 3.243 1.00 43.52 C ATOM 421 NH1 ARG A 25 -9.286 -12.396 4.144 1.00 14.05 N ATOM 422 NH2 ARG A 25 -10.920 -12.952 2.735 1.00 64.24 N ATOM 0 H ARG A 25 -10.717 -7.700 -1.090 1.00 74.23 H new ATOM 0 HA ARG A 25 -11.238 -6.303 1.329 1.00 43.03 H new ATOM 0 HB2 ARG A 25 -11.076 -8.813 1.061 1.00 44.25 H new ATOM 0 HB3 ARG A 25 -9.357 -8.655 0.759 1.00 44.25 H new ATOM 0 HG2 ARG A 25 -9.189 -7.549 3.101 1.00 33.51 H new ATOM 0 HG3 ARG A 25 -10.836 -8.084 3.367 1.00 33.51 H new ATOM 0 HD2 ARG A 25 -8.410 -9.853 2.833 1.00 21.14 H new ATOM 0 HD3 ARG A 25 -9.283 -9.703 4.345 1.00 21.14 H new ATOM 0 HE ARG A 25 -11.060 -10.575 2.236 1.00 14.42 H new ATOM 0 HH11 ARG A 25 -8.687 -11.691 4.573 1.00 14.05 H new ATOM 0 HH12 ARG A 25 -9.204 -13.373 4.424 1.00 14.05 H new ATOM 0 HH21 ARG A 25 -11.622 -12.693 2.042 1.00 64.24 H new ATOM 0 HH22 ARG A 25 -10.825 -13.925 3.026 1.00 64.24 H new ATOM 436 N LEU A 26 -8.145 -6.043 0.106 1.00 74.55 N ATOM 437 CA LEU A 26 -6.859 -5.309 0.233 1.00 0.15 C ATOM 438 C LEU A 26 -7.062 -3.780 0.012 1.00 32.12 C ATOM 439 O LEU A 26 -6.545 -2.954 0.773 1.00 52.32 O ATOM 440 CB LEU A 26 -5.808 -5.869 -0.765 1.00 24.15 C ATOM 441 CG LEU A 26 -5.473 -7.399 -0.675 1.00 34.11 C ATOM 442 CD1 LEU A 26 -4.394 -7.796 -1.707 1.00 45.21 C ATOM 443 CD2 LEU A 26 -5.049 -7.786 0.757 1.00 40.13 C ATOM 0 H LEU A 26 -8.206 -6.634 -0.723 1.00 74.55 H new ATOM 0 HA LEU A 26 -6.487 -5.457 1.247 1.00 0.15 H new ATOM 0 HB2 LEU A 26 -6.158 -5.659 -1.776 1.00 24.15 H new ATOM 0 HB3 LEU A 26 -4.881 -5.312 -0.626 1.00 24.15 H new ATOM 0 HG LEU A 26 -6.378 -7.956 -0.917 1.00 34.11 H new ATOM 0 HD11 LEU A 26 -4.183 -8.862 -1.621 1.00 45.21 H new ATOM 0 HD12 LEU A 26 -4.754 -7.578 -2.712 1.00 45.21 H new ATOM 0 HD13 LEU A 26 -3.483 -7.229 -1.517 1.00 45.21 H new ATOM 0 HD21 LEU A 26 -4.822 -8.851 0.794 1.00 40.13 H new ATOM 0 HD22 LEU A 26 -4.164 -7.216 1.041 1.00 40.13 H new ATOM 0 HD23 LEU A 26 -5.861 -7.564 1.449 1.00 40.13 H new ATOM 455 N ILE A 27 -7.824 -3.444 -1.048 1.00 44.41 N ATOM 456 CA ILE A 27 -8.281 -2.061 -1.360 1.00 72.52 C ATOM 457 C ILE A 27 -9.165 -1.483 -0.208 1.00 74.10 C ATOM 458 O ILE A 27 -9.114 -0.292 0.087 1.00 42.31 O ATOM 459 CB ILE A 27 -9.067 -2.049 -2.743 1.00 75.32 C ATOM 460 CG1 ILE A 27 -8.157 -2.607 -3.893 1.00 31.15 C ATOM 461 CG2 ILE A 27 -9.595 -0.636 -3.101 1.00 50.21 C ATOM 462 CD1 ILE A 27 -8.844 -2.889 -5.226 1.00 3.21 C ATOM 0 H ILE A 27 -8.148 -4.132 -1.727 1.00 44.41 H new ATOM 0 HA ILE A 27 -7.404 -1.419 -1.450 1.00 72.52 H new ATOM 0 HB ILE A 27 -9.935 -2.698 -2.631 1.00 75.32 H new ATOM 0 HG12 ILE A 27 -7.352 -1.894 -4.068 1.00 31.15 H new ATOM 0 HG13 ILE A 27 -7.695 -3.531 -3.545 1.00 31.15 H new ATOM 0 HG21 ILE A 27 -10.125 -0.676 -4.053 1.00 50.21 H new ATOM 0 HG22 ILE A 27 -10.275 -0.293 -2.321 1.00 50.21 H new ATOM 0 HG23 ILE A 27 -8.757 0.056 -3.181 1.00 50.21 H new ATOM 0 HD11 ILE A 27 -8.113 -3.270 -5.939 1.00 3.21 H new ATOM 0 HD12 ILE A 27 -9.630 -3.631 -5.081 1.00 3.21 H new ATOM 0 HD13 ILE A 27 -9.281 -1.968 -5.612 1.00 3.21 H new ATOM 474 N TYR A 28 -9.949 -2.360 0.444 1.00 0.53 N ATOM 475 CA TYR A 28 -10.774 -2.018 1.636 1.00 21.01 C ATOM 476 C TYR A 28 -9.881 -1.579 2.833 1.00 44.22 C ATOM 477 O TYR A 28 -10.042 -0.480 3.366 1.00 22.20 O ATOM 478 CB TYR A 28 -11.652 -3.256 1.992 1.00 62.11 C ATOM 479 CG TYR A 28 -12.416 -3.233 3.327 1.00 11.44 C ATOM 480 CD1 TYR A 28 -13.674 -2.627 3.445 1.00 50.14 C ATOM 481 CD2 TYR A 28 -11.891 -3.860 4.465 1.00 21.22 C ATOM 482 CE1 TYR A 28 -14.367 -2.644 4.647 1.00 22.21 C ATOM 483 CE2 TYR A 28 -12.580 -3.882 5.657 1.00 72.13 C ATOM 484 CZ TYR A 28 -13.816 -3.276 5.747 1.00 30.34 C ATOM 485 OH TYR A 28 -14.502 -3.300 6.945 1.00 63.24 O ATOM 0 H TYR A 28 -10.034 -3.337 0.163 1.00 0.53 H new ATOM 0 HA TYR A 28 -11.420 -1.169 1.411 1.00 21.01 H new ATOM 0 HB2 TYR A 28 -12.380 -3.392 1.192 1.00 62.11 H new ATOM 0 HB3 TYR A 28 -11.008 -4.135 1.990 1.00 62.11 H new ATOM 0 HD1 TYR A 28 -14.111 -2.139 2.587 1.00 50.14 H new ATOM 0 HD2 TYR A 28 -10.924 -4.337 4.406 1.00 21.22 H new ATOM 0 HE1 TYR A 28 -15.332 -2.166 4.723 1.00 22.21 H new ATOM 0 HE2 TYR A 28 -12.154 -4.373 6.520 1.00 72.13 H new ATOM 0 HH TYR A 28 -13.975 -3.785 7.614 1.00 63.24 H new ATOM 495 N GLN A 29 -8.908 -2.436 3.202 1.00 44.31 N ATOM 496 CA GLN A 29 -8.017 -2.212 4.378 1.00 4.05 C ATOM 497 C GLN A 29 -7.042 -1.022 4.170 1.00 3.41 C ATOM 498 O GLN A 29 -6.530 -0.451 5.140 1.00 62.00 O ATOM 499 CB GLN A 29 -7.221 -3.507 4.682 1.00 12.34 C ATOM 500 CG GLN A 29 -8.094 -4.746 4.971 1.00 52.30 C ATOM 501 CD GLN A 29 -7.269 -6.013 5.199 1.00 24.14 C ATOM 502 OE1 GLN A 29 -6.912 -6.335 6.325 1.00 12.14 O ATOM 503 NE2 GLN A 29 -6.938 -6.725 4.135 1.00 3.30 N ATOM 0 H GLN A 29 -8.711 -3.302 2.701 1.00 44.31 H new ATOM 0 HA GLN A 29 -8.653 -1.956 5.226 1.00 4.05 H new ATOM 0 HB2 GLN A 29 -6.572 -3.726 3.834 1.00 12.34 H new ATOM 0 HB3 GLN A 29 -6.574 -3.327 5.540 1.00 12.34 H new ATOM 0 HG2 GLN A 29 -8.708 -4.555 5.851 1.00 52.30 H new ATOM 0 HG3 GLN A 29 -8.776 -4.907 4.136 1.00 52.30 H new ATOM 0 HE21 GLN A 29 -7.250 -6.433 3.209 1.00 3.30 H new ATOM 0 HE22 GLN A 29 -6.371 -7.566 4.241 1.00 3.30 H new ATOM 512 N SER A 30 -6.785 -0.668 2.901 1.00 34.44 N ATOM 513 CA SER A 30 -5.963 0.510 2.544 1.00 20.35 C ATOM 514 C SER A 30 -6.772 1.819 2.638 1.00 53.54 C ATOM 515 O SER A 30 -6.203 2.891 2.836 1.00 34.14 O ATOM 516 CB SER A 30 -5.401 0.364 1.123 1.00 64.04 C ATOM 517 OG SER A 30 -6.415 0.357 0.133 1.00 64.30 O ATOM 0 H SER A 30 -7.137 -1.184 2.094 1.00 34.44 H new ATOM 0 HA SER A 30 -5.143 0.558 3.260 1.00 20.35 H new ATOM 0 HB2 SER A 30 -4.710 1.183 0.924 1.00 64.04 H new ATOM 0 HB3 SER A 30 -4.827 -0.560 1.057 1.00 64.04 H new ATOM 0 HG SER A 30 -7.265 0.084 0.537 1.00 64.30 H new ATOM 523 N ARG A 31 -8.105 1.719 2.445 1.00 24.25 N ATOM 524 CA ARG A 31 -9.034 2.857 2.632 1.00 23.32 C ATOM 525 C ARG A 31 -9.491 2.980 4.103 1.00 72.41 C ATOM 526 O ARG A 31 -10.053 4.006 4.496 1.00 4.13 O ATOM 527 CB ARG A 31 -10.258 2.703 1.699 1.00 20.40 C ATOM 528 CG ARG A 31 -9.895 2.731 0.197 1.00 14.32 C ATOM 529 CD ARG A 31 -11.116 2.523 -0.726 1.00 63.12 C ATOM 530 NE ARG A 31 -10.735 2.532 -2.154 1.00 52.15 N ATOM 531 CZ ARG A 31 -10.564 3.609 -2.895 1.00 24.23 C ATOM 532 NH1 ARG A 31 -10.782 4.797 -2.424 1.00 61.33 N ATOM 533 NH2 ARG A 31 -10.178 3.487 -4.124 1.00 54.31 N ATOM 0 H ARG A 31 -8.565 0.855 2.158 1.00 24.25 H new ATOM 0 HA ARG A 31 -8.501 3.772 2.374 1.00 23.32 H new ATOM 0 HB2 ARG A 31 -10.762 1.763 1.926 1.00 20.40 H new ATOM 0 HB3 ARG A 31 -10.968 3.504 1.908 1.00 20.40 H new ATOM 0 HG2 ARG A 31 -9.427 3.686 -0.040 1.00 14.32 H new ATOM 0 HG3 ARG A 31 -9.157 1.955 -0.007 1.00 14.32 H new ATOM 0 HD2 ARG A 31 -11.596 1.575 -0.484 1.00 63.12 H new ATOM 0 HD3 ARG A 31 -11.849 3.308 -0.541 1.00 63.12 H new ATOM 0 HE ARG A 31 -10.592 1.628 -2.605 1.00 52.15 H new ATOM 0 HH11 ARG A 31 -11.093 4.914 -1.460 1.00 61.33 H new ATOM 0 HH12 ARG A 31 -10.642 5.615 -3.018 1.00 61.33 H new ATOM 0 HH21 ARG A 31 -10.007 2.561 -4.515 1.00 54.31 H new ATOM 0 HH22 ARG A 31 -10.044 4.317 -4.701 1.00 54.31 H new ATOM 547 N LYS A 32 -9.298 1.917 4.917 1.00 70.01 N ATOM 548 CA LYS A 32 -9.425 2.032 6.385 1.00 33.32 C ATOM 549 C LYS A 32 -8.060 2.459 6.945 1.00 61.20 C ATOM 550 O LYS A 32 -7.138 1.651 7.039 1.00 44.51 O ATOM 551 CB LYS A 32 -9.876 0.679 7.036 1.00 31.31 C ATOM 552 CG LYS A 32 -11.409 0.415 7.118 1.00 4.22 C ATOM 553 CD LYS A 32 -12.097 0.006 5.784 1.00 20.12 C ATOM 554 CE LYS A 32 -12.508 1.188 4.887 1.00 51.41 C ATOM 555 NZ LYS A 32 -13.456 2.109 5.562 1.00 2.44 N ATOM 0 H LYS A 32 -9.057 0.983 4.586 1.00 70.01 H new ATOM 0 HA LYS A 32 -10.190 2.771 6.623 1.00 33.32 H new ATOM 0 HB2 LYS A 32 -9.421 -0.137 6.474 1.00 31.31 H new ATOM 0 HB3 LYS A 32 -9.469 0.636 8.046 1.00 31.31 H new ATOM 0 HG2 LYS A 32 -11.585 -0.372 7.852 1.00 4.22 H new ATOM 0 HG3 LYS A 32 -11.894 1.316 7.494 1.00 4.22 H new ATOM 0 HD2 LYS A 32 -11.420 -0.640 5.224 1.00 20.12 H new ATOM 0 HD3 LYS A 32 -12.984 -0.584 6.014 1.00 20.12 H new ATOM 0 HE2 LYS A 32 -11.617 1.742 4.590 1.00 51.41 H new ATOM 0 HE3 LYS A 32 -12.965 0.806 3.974 1.00 51.41 H new ATOM 0 HZ1 LYS A 32 -13.934 2.698 4.850 1.00 2.44 H new ATOM 0 HZ2 LYS A 32 -14.164 1.556 6.086 1.00 2.44 H new ATOM 0 HZ3 LYS A 32 -12.935 2.720 6.224 1.00 2.44 H new ATOM 569 N ARG A 33 -7.978 3.716 7.386 1.00 34.11 N ATOM 570 CA ARG A 33 -6.748 4.340 7.922 1.00 31.41 C ATOM 571 C ARG A 33 -7.133 5.321 9.057 1.00 64.15 C ATOM 572 O ARG A 33 -8.323 5.612 9.263 1.00 12.12 O ATOM 573 CB ARG A 33 -5.974 5.135 6.811 1.00 10.13 C ATOM 574 CG ARG A 33 -5.444 4.337 5.575 1.00 1.33 C ATOM 575 CD ARG A 33 -4.221 3.405 5.855 1.00 51.11 C ATOM 576 NE ARG A 33 -4.592 2.024 6.208 1.00 31.44 N ATOM 577 CZ ARG A 33 -3.837 1.161 6.869 1.00 43.24 C ATOM 578 NH1 ARG A 33 -2.750 1.525 7.477 1.00 20.45 N ATOM 579 NH2 ARG A 33 -4.225 -0.066 6.972 1.00 1.41 N ATOM 0 H ARG A 33 -8.778 4.349 7.384 1.00 34.11 H new ATOM 0 HA ARG A 33 -6.100 3.547 8.294 1.00 31.41 H new ATOM 0 HB2 ARG A 33 -6.632 5.922 6.443 1.00 10.13 H new ATOM 0 HB3 ARG A 33 -5.122 5.625 7.283 1.00 10.13 H new ATOM 0 HG2 ARG A 33 -6.258 3.731 5.179 1.00 1.33 H new ATOM 0 HG3 ARG A 33 -5.167 5.048 4.796 1.00 1.33 H new ATOM 0 HD2 ARG A 33 -3.582 3.385 4.972 1.00 51.11 H new ATOM 0 HD3 ARG A 33 -3.630 3.831 6.666 1.00 51.11 H new ATOM 0 HE ARG A 33 -5.515 1.703 5.916 1.00 31.44 H new ATOM 0 HH11 ARG A 33 -2.455 2.501 7.454 1.00 20.45 H new ATOM 0 HH12 ARG A 33 -2.190 0.835 7.978 1.00 20.45 H new ATOM 0 HH21 ARG A 33 -5.104 -0.360 6.547 1.00 1.41 H new ATOM 0 HH22 ARG A 33 -3.652 -0.741 7.479 1.00 1.41 H new ATOM 593 N GLY A 34 -6.125 5.814 9.788 1.00 42.31 N ATOM 594 CA GLY A 34 -6.315 6.917 10.739 1.00 2.25 C ATOM 595 C GLY A 34 -6.509 8.274 10.035 1.00 14.30 C ATOM 596 O GLY A 34 -7.535 8.944 10.213 1.00 44.43 O ATOM 0 H GLY A 34 -5.168 5.466 9.739 1.00 42.31 H new ATOM 0 HA2 GLY A 34 -7.183 6.708 11.365 1.00 2.25 H new ATOM 0 HA3 GLY A 34 -5.451 6.975 11.401 1.00 2.25 H new ATOM 600 N ILE A 35 -5.513 8.659 9.214 1.00 35.12 N ATOM 601 CA ILE A 35 -5.517 9.944 8.464 1.00 31.44 C ATOM 602 C ILE A 35 -5.964 9.766 6.990 1.00 33.10 C ATOM 603 O ILE A 35 -5.715 8.725 6.365 1.00 53.04 O ATOM 604 CB ILE A 35 -4.101 10.634 8.490 1.00 55.02 C ATOM 605 CG1 ILE A 35 -2.999 9.666 7.938 1.00 70.44 C ATOM 606 CG2 ILE A 35 -3.766 11.137 9.914 1.00 33.14 C ATOM 607 CD1 ILE A 35 -1.611 10.266 7.831 1.00 42.34 C ATOM 0 H ILE A 35 -4.681 8.093 9.048 1.00 35.12 H new ATOM 0 HA ILE A 35 -6.241 10.582 8.972 1.00 31.44 H new ATOM 0 HB ILE A 35 -4.126 11.504 7.833 1.00 55.02 H new ATOM 0 HG12 ILE A 35 -2.950 8.790 8.584 1.00 70.44 H new ATOM 0 HG13 ILE A 35 -3.304 9.318 6.951 1.00 70.44 H new ATOM 0 HG21 ILE A 35 -2.784 11.610 9.911 1.00 33.14 H new ATOM 0 HG22 ILE A 35 -4.517 11.861 10.230 1.00 33.14 H new ATOM 0 HG23 ILE A 35 -3.760 10.294 10.606 1.00 33.14 H new ATOM 0 HD11 ILE A 35 -0.921 9.519 7.440 1.00 42.34 H new ATOM 0 HD12 ILE A 35 -1.636 11.124 7.159 1.00 42.34 H new ATOM 0 HD13 ILE A 35 -1.277 10.588 8.817 1.00 42.34 H new ATOM 619 N LEU A 36 -6.624 10.809 6.451 1.00 51.21 N ATOM 620 CA LEU A 36 -7.024 10.874 5.026 1.00 0.53 C ATOM 621 C LEU A 36 -5.820 11.145 4.091 1.00 13.31 C ATOM 622 O LEU A 36 -5.928 10.946 2.881 1.00 62.32 O ATOM 623 CB LEU A 36 -8.151 11.925 4.796 1.00 43.32 C ATOM 624 CG LEU A 36 -9.570 11.582 5.365 1.00 35.13 C ATOM 625 CD1 LEU A 36 -10.069 10.217 4.851 1.00 3.15 C ATOM 626 CD2 LEU A 36 -9.611 11.657 6.906 1.00 52.43 C ATOM 0 H LEU A 36 -6.896 11.632 6.989 1.00 51.21 H new ATOM 0 HA LEU A 36 -7.420 9.891 4.769 1.00 0.53 H new ATOM 0 HB2 LEU A 36 -7.829 12.869 5.236 1.00 43.32 H new ATOM 0 HB3 LEU A 36 -8.247 12.089 3.723 1.00 43.32 H new ATOM 0 HG LEU A 36 -10.255 12.344 4.993 1.00 35.13 H new ATOM 0 HD11 LEU A 36 -11.056 10.011 5.265 1.00 3.15 H new ATOM 0 HD12 LEU A 36 -10.129 10.238 3.763 1.00 3.15 H new ATOM 0 HD13 LEU A 36 -9.375 9.436 5.161 1.00 3.15 H new ATOM 0 HD21 LEU A 36 -10.614 11.412 7.256 1.00 52.43 H new ATOM 0 HD22 LEU A 36 -8.897 10.947 7.324 1.00 52.43 H new ATOM 0 HD23 LEU A 36 -9.351 12.665 7.228 1.00 52.43 H new ATOM 638 N GLU A 37 -4.683 11.606 4.656 1.00 13.13 N ATOM 639 CA GLU A 37 -3.432 11.830 3.887 1.00 64.11 C ATOM 640 C GLU A 37 -2.896 10.500 3.289 1.00 3.33 C ATOM 641 O GLU A 37 -2.575 10.416 2.095 1.00 53.12 O ATOM 642 CB GLU A 37 -2.355 12.501 4.782 1.00 54.32 C ATOM 643 CG GLU A 37 -2.787 13.845 5.395 1.00 72.42 C ATOM 644 CD GLU A 37 -1.654 14.540 6.165 1.00 73.31 C ATOM 645 OE1 GLU A 37 -1.435 14.205 7.341 1.00 73.14 O ATOM 646 OE2 GLU A 37 -0.979 15.424 5.590 1.00 33.21 O ATOM 0 H GLU A 37 -4.603 11.832 5.647 1.00 13.13 H new ATOM 0 HA GLU A 37 -3.661 12.501 3.059 1.00 64.11 H new ATOM 0 HB2 GLU A 37 -2.091 11.816 5.588 1.00 54.32 H new ATOM 0 HB3 GLU A 37 -1.454 12.658 4.189 1.00 54.32 H new ATOM 0 HG2 GLU A 37 -3.139 14.505 4.602 1.00 72.42 H new ATOM 0 HG3 GLU A 37 -3.628 13.679 6.068 1.00 72.42 H new ATOM 653 N THR A 38 -2.819 9.461 4.144 1.00 32.50 N ATOM 654 CA THR A 38 -2.435 8.089 3.728 1.00 31.33 C ATOM 655 C THR A 38 -3.563 7.418 2.911 1.00 13.31 C ATOM 656 O THR A 38 -3.284 6.633 1.994 1.00 13.20 O ATOM 657 CB THR A 38 -2.095 7.191 4.960 1.00 74.03 C ATOM 658 OG1 THR A 38 -1.114 7.851 5.770 1.00 61.33 O ATOM 659 CG2 THR A 38 -1.564 5.803 4.549 1.00 41.34 C ATOM 0 H THR A 38 -3.020 9.544 5.141 1.00 32.50 H new ATOM 0 HA THR A 38 -1.546 8.186 3.105 1.00 31.33 H new ATOM 0 HB THR A 38 -3.019 7.037 5.518 1.00 74.03 H new ATOM 0 HG1 THR A 38 -0.404 7.218 6.005 1.00 61.33 H new ATOM 0 HG21 THR A 38 -1.343 5.219 5.442 1.00 41.34 H new ATOM 0 HG22 THR A 38 -2.318 5.286 3.955 1.00 41.34 H new ATOM 0 HG23 THR A 38 -0.655 5.921 3.959 1.00 41.34 H new ATOM 667 N ASP A 39 -4.831 7.731 3.265 1.00 44.42 N ATOM 668 CA ASP A 39 -6.022 7.222 2.549 1.00 31.15 C ATOM 669 C ASP A 39 -5.956 7.557 1.040 1.00 43.35 C ATOM 670 O ASP A 39 -6.020 6.661 0.233 1.00 41.30 O ATOM 671 CB ASP A 39 -7.317 7.792 3.176 1.00 1.01 C ATOM 672 CG ASP A 39 -8.600 7.330 2.452 1.00 70.12 C ATOM 673 OD1 ASP A 39 -9.125 6.253 2.786 1.00 23.32 O ATOM 674 OD2 ASP A 39 -9.086 8.048 1.548 1.00 11.00 O ATOM 0 H ASP A 39 -5.056 8.341 4.051 1.00 44.42 H new ATOM 0 HA ASP A 39 -6.034 6.137 2.650 1.00 31.15 H new ATOM 0 HB2 ASP A 39 -7.370 7.490 4.222 1.00 1.01 H new ATOM 0 HB3 ASP A 39 -7.271 8.881 3.160 1.00 1.01 H new ATOM 679 N LEU A 40 -5.794 8.851 0.686 1.00 12.14 N ATOM 680 CA LEU A 40 -5.705 9.323 -0.733 1.00 14.41 C ATOM 681 C LEU A 40 -4.565 8.624 -1.518 1.00 73.41 C ATOM 682 O LEU A 40 -4.717 8.280 -2.706 1.00 51.45 O ATOM 683 CB LEU A 40 -5.495 10.864 -0.772 1.00 63.01 C ATOM 684 CG LEU A 40 -6.676 11.731 -0.234 1.00 61.15 C ATOM 685 CD1 LEU A 40 -6.328 13.235 -0.255 1.00 5.04 C ATOM 686 CD2 LEU A 40 -7.974 11.443 -1.020 1.00 21.12 C ATOM 0 H LEU A 40 -5.720 9.605 1.368 1.00 12.14 H new ATOM 0 HA LEU A 40 -6.647 9.062 -1.216 1.00 14.41 H new ATOM 0 HB2 LEU A 40 -4.602 11.103 -0.194 1.00 63.01 H new ATOM 0 HB3 LEU A 40 -5.296 11.157 -1.803 1.00 63.01 H new ATOM 0 HG LEU A 40 -6.846 11.453 0.806 1.00 61.15 H new ATOM 0 HD11 LEU A 40 -7.172 13.809 0.126 1.00 5.04 H new ATOM 0 HD12 LEU A 40 -5.454 13.415 0.372 1.00 5.04 H new ATOM 0 HD13 LEU A 40 -6.111 13.544 -1.278 1.00 5.04 H new ATOM 0 HD21 LEU A 40 -8.782 12.059 -0.626 1.00 21.12 H new ATOM 0 HD22 LEU A 40 -7.821 11.676 -2.074 1.00 21.12 H new ATOM 0 HD23 LEU A 40 -8.237 10.390 -0.916 1.00 21.12 H new ATOM 698 N LEU A 41 -3.428 8.423 -0.835 1.00 24.24 N ATOM 699 CA LEU A 41 -2.250 7.740 -1.404 1.00 11.11 C ATOM 700 C LEU A 41 -2.576 6.274 -1.795 1.00 32.13 C ATOM 701 O LEU A 41 -2.444 5.893 -2.965 1.00 52.14 O ATOM 702 CB LEU A 41 -1.069 7.806 -0.400 1.00 72.10 C ATOM 703 CG LEU A 41 0.253 7.091 -0.826 1.00 43.31 C ATOM 704 CD1 LEU A 41 0.743 7.566 -2.216 1.00 3.24 C ATOM 705 CD2 LEU A 41 1.342 7.290 0.247 1.00 4.41 C ATOM 0 H LEU A 41 -3.296 8.729 0.129 1.00 24.24 H new ATOM 0 HA LEU A 41 -1.960 8.255 -2.320 1.00 11.11 H new ATOM 0 HB2 LEU A 41 -0.843 8.855 -0.209 1.00 72.10 H new ATOM 0 HB3 LEU A 41 -1.400 7.374 0.544 1.00 72.10 H new ATOM 0 HG LEU A 41 0.042 6.025 -0.911 1.00 43.31 H new ATOM 0 HD11 LEU A 41 1.665 7.045 -2.475 1.00 3.24 H new ATOM 0 HD12 LEU A 41 -0.019 7.349 -2.964 1.00 3.24 H new ATOM 0 HD13 LEU A 41 0.929 8.640 -2.189 1.00 3.24 H new ATOM 0 HD21 LEU A 41 2.257 6.786 -0.065 1.00 4.41 H new ATOM 0 HD22 LEU A 41 1.539 8.355 0.372 1.00 4.41 H new ATOM 0 HD23 LEU A 41 1.001 6.870 1.194 1.00 4.41 H new ATOM 717 N LEU A 42 -3.046 5.503 -0.807 1.00 4.51 N ATOM 718 CA LEU A 42 -3.363 4.063 -0.960 1.00 22.03 C ATOM 719 C LEU A 42 -4.660 3.815 -1.757 1.00 35.40 C ATOM 720 O LEU A 42 -4.836 2.747 -2.312 1.00 31.34 O ATOM 721 CB LEU A 42 -3.464 3.402 0.431 1.00 5.55 C ATOM 722 CG LEU A 42 -2.129 3.295 1.235 1.00 54.31 C ATOM 723 CD1 LEU A 42 -2.356 2.627 2.610 1.00 63.30 C ATOM 724 CD2 LEU A 42 -1.045 2.546 0.418 1.00 42.02 C ATOM 0 H LEU A 42 -3.221 5.857 0.133 1.00 4.51 H new ATOM 0 HA LEU A 42 -2.551 3.615 -1.532 1.00 22.03 H new ATOM 0 HB2 LEU A 42 -4.181 3.965 1.028 1.00 5.55 H new ATOM 0 HB3 LEU A 42 -3.872 2.399 0.306 1.00 5.55 H new ATOM 0 HG LEU A 42 -1.768 4.307 1.417 1.00 54.31 H new ATOM 0 HD11 LEU A 42 -1.409 2.567 3.146 1.00 63.30 H new ATOM 0 HD12 LEU A 42 -3.064 3.219 3.190 1.00 63.30 H new ATOM 0 HD13 LEU A 42 -2.756 1.623 2.465 1.00 63.30 H new ATOM 0 HD21 LEU A 42 -0.126 2.486 1.002 1.00 42.02 H new ATOM 0 HD22 LEU A 42 -1.394 1.540 0.187 1.00 42.02 H new ATOM 0 HD23 LEU A 42 -0.851 3.085 -0.509 1.00 42.02 H new ATOM 736 N SER A 43 -5.577 4.784 -1.756 1.00 54.40 N ATOM 737 CA SER A 43 -6.839 4.728 -2.550 1.00 13.23 C ATOM 738 C SER A 43 -6.546 4.689 -4.066 1.00 24.03 C ATOM 739 O SER A 43 -7.070 3.831 -4.785 1.00 72.13 O ATOM 740 CB SER A 43 -7.750 5.934 -2.208 1.00 52.21 C ATOM 741 OG SER A 43 -8.373 5.769 -0.937 1.00 3.12 O ATOM 0 H SER A 43 -5.480 5.639 -1.208 1.00 54.40 H new ATOM 0 HA SER A 43 -7.360 3.808 -2.284 1.00 13.23 H new ATOM 0 HB2 SER A 43 -7.160 6.850 -2.210 1.00 52.21 H new ATOM 0 HB3 SER A 43 -8.514 6.045 -2.978 1.00 52.21 H new ATOM 0 HG SER A 43 -7.745 6.023 -0.229 1.00 3.12 H new ATOM 747 N GLY A 44 -5.690 5.627 -4.528 1.00 44.22 N ATOM 748 CA GLY A 44 -5.212 5.641 -5.921 1.00 53.12 C ATOM 749 C GLY A 44 -4.289 4.455 -6.250 1.00 14.53 C ATOM 750 O GLY A 44 -4.388 3.856 -7.321 1.00 52.11 O ATOM 0 H GLY A 44 -5.318 6.383 -3.953 1.00 44.22 H new ATOM 0 HA2 GLY A 44 -6.069 5.625 -6.594 1.00 53.12 H new ATOM 0 HA3 GLY A 44 -4.678 6.573 -6.107 1.00 53.12 H new ATOM 754 N PHE A 45 -3.392 4.120 -5.295 1.00 4.14 N ATOM 755 CA PHE A 45 -2.404 3.018 -5.437 1.00 20.43 C ATOM 756 C PHE A 45 -3.100 1.638 -5.560 1.00 14.41 C ATOM 757 O PHE A 45 -2.738 0.825 -6.400 1.00 73.45 O ATOM 758 CB PHE A 45 -1.428 3.042 -4.224 1.00 4.42 C ATOM 759 CG PHE A 45 -0.208 2.123 -4.348 1.00 71.44 C ATOM 760 CD1 PHE A 45 0.980 2.571 -4.930 1.00 75.52 C ATOM 761 CD2 PHE A 45 -0.244 0.807 -3.885 1.00 52.14 C ATOM 762 CE1 PHE A 45 2.073 1.736 -5.043 1.00 61.02 C ATOM 763 CE2 PHE A 45 0.854 -0.024 -3.999 1.00 5.44 C ATOM 764 CZ PHE A 45 2.012 0.442 -4.577 1.00 25.22 C ATOM 0 H PHE A 45 -3.330 4.606 -4.400 1.00 4.14 H new ATOM 0 HA PHE A 45 -1.841 3.172 -6.357 1.00 20.43 H new ATOM 0 HB2 PHE A 45 -1.079 4.064 -4.079 1.00 4.42 H new ATOM 0 HB3 PHE A 45 -1.982 2.764 -3.327 1.00 4.42 H new ATOM 0 HD1 PHE A 45 1.044 3.585 -5.297 1.00 75.52 H new ATOM 0 HD2 PHE A 45 -1.148 0.431 -3.429 1.00 52.14 H new ATOM 0 HE1 PHE A 45 2.982 2.100 -5.500 1.00 61.02 H new ATOM 0 HE2 PHE A 45 0.803 -1.039 -3.634 1.00 5.44 H new ATOM 0 HZ PHE A 45 2.872 -0.206 -4.665 1.00 25.22 H new ATOM 774 N ALA A 46 -4.108 1.401 -4.716 1.00 14.13 N ATOM 775 CA ALA A 46 -4.833 0.113 -4.666 1.00 5.20 C ATOM 776 C ALA A 46 -5.716 -0.113 -5.911 1.00 10.23 C ATOM 777 O ALA A 46 -5.722 -1.204 -6.497 1.00 3.02 O ATOM 778 CB ALA A 46 -5.681 0.033 -3.394 1.00 61.24 C ATOM 0 H ALA A 46 -4.450 2.090 -4.046 1.00 14.13 H new ATOM 0 HA ALA A 46 -4.084 -0.679 -4.654 1.00 5.20 H new ATOM 0 HB1 ALA A 46 -6.210 -0.920 -3.369 1.00 61.24 H new ATOM 0 HB2 ALA A 46 -5.034 0.112 -2.520 1.00 61.24 H new ATOM 0 HB3 ALA A 46 -6.403 0.849 -3.386 1.00 61.24 H new ATOM 784 N ALA A 47 -6.448 0.940 -6.307 1.00 53.14 N ATOM 785 CA ALA A 47 -7.346 0.908 -7.483 1.00 63.12 C ATOM 786 C ALA A 47 -6.569 0.709 -8.815 1.00 60.15 C ATOM 787 O ALA A 47 -7.096 0.137 -9.774 1.00 3.33 O ATOM 788 CB ALA A 47 -8.174 2.199 -7.529 1.00 25.34 C ATOM 0 H ALA A 47 -6.437 1.839 -5.825 1.00 53.14 H new ATOM 0 HA ALA A 47 -8.008 0.049 -7.375 1.00 63.12 H new ATOM 0 HB1 ALA A 47 -8.836 2.176 -8.395 1.00 25.34 H new ATOM 0 HB2 ALA A 47 -8.769 2.282 -6.620 1.00 25.34 H new ATOM 0 HB3 ALA A 47 -7.506 3.057 -7.605 1.00 25.34 H new ATOM 794 N LYS A 48 -5.314 1.186 -8.848 1.00 51.02 N ATOM 795 CA LYS A 48 -4.454 1.144 -10.052 1.00 53.13 C ATOM 796 C LYS A 48 -3.621 -0.165 -10.122 1.00 73.21 C ATOM 797 O LYS A 48 -3.689 -0.920 -11.100 1.00 1.42 O ATOM 798 CB LYS A 48 -3.515 2.375 -10.021 1.00 60.32 C ATOM 799 CG LYS A 48 -2.719 2.640 -11.314 1.00 74.20 C ATOM 800 CD LYS A 48 -1.830 3.899 -11.191 1.00 52.30 C ATOM 801 CE LYS A 48 -1.179 4.306 -12.517 1.00 21.15 C ATOM 802 NZ LYS A 48 -0.296 5.493 -12.366 1.00 30.21 N ATOM 0 H LYS A 48 -4.862 1.614 -8.040 1.00 51.02 H new ATOM 0 HA LYS A 48 -5.086 1.166 -10.940 1.00 53.13 H new ATOM 0 HB2 LYS A 48 -4.112 3.259 -9.796 1.00 60.32 H new ATOM 0 HB3 LYS A 48 -2.809 2.250 -9.200 1.00 60.32 H new ATOM 0 HG2 LYS A 48 -2.096 1.775 -11.541 1.00 74.20 H new ATOM 0 HG3 LYS A 48 -3.410 2.763 -12.148 1.00 74.20 H new ATOM 0 HD2 LYS A 48 -2.433 4.728 -10.820 1.00 52.30 H new ATOM 0 HD3 LYS A 48 -1.051 3.715 -10.452 1.00 52.30 H new ATOM 0 HE2 LYS A 48 -0.598 3.470 -12.907 1.00 21.15 H new ATOM 0 HE3 LYS A 48 -1.956 4.524 -13.250 1.00 21.15 H new ATOM 0 HZ1 LYS A 48 0.123 5.733 -13.287 1.00 30.21 H new ATOM 0 HZ2 LYS A 48 -0.854 6.299 -12.019 1.00 30.21 H new ATOM 0 HZ3 LYS A 48 0.461 5.278 -11.686 1.00 30.21 H new ATOM 816 N TYR A 49 -2.857 -0.430 -9.053 1.00 21.05 N ATOM 817 CA TYR A 49 -1.839 -1.502 -9.019 1.00 4.04 C ATOM 818 C TYR A 49 -2.440 -2.916 -8.913 1.00 55.15 C ATOM 819 O TYR A 49 -2.011 -3.803 -9.639 1.00 75.21 O ATOM 820 CB TYR A 49 -0.834 -1.254 -7.865 1.00 2.21 C ATOM 821 CG TYR A 49 0.184 -0.136 -8.154 1.00 54.34 C ATOM 822 CD1 TYR A 49 -0.208 1.202 -8.278 1.00 74.23 C ATOM 823 CD2 TYR A 49 1.542 -0.421 -8.309 1.00 5.35 C ATOM 824 CE1 TYR A 49 0.715 2.198 -8.535 1.00 72.22 C ATOM 825 CE2 TYR A 49 2.460 0.571 -8.566 1.00 61.15 C ATOM 826 CZ TYR A 49 2.048 1.875 -8.681 1.00 54.24 C ATOM 827 OH TYR A 49 2.978 2.857 -8.943 1.00 42.31 O ATOM 0 H TYR A 49 -2.924 0.093 -8.180 1.00 21.05 H new ATOM 0 HA TYR A 49 -1.318 -1.462 -9.976 1.00 4.04 H new ATOM 0 HB2 TYR A 49 -1.389 -1.002 -6.961 1.00 2.21 H new ATOM 0 HB3 TYR A 49 -0.295 -2.179 -7.661 1.00 2.21 H new ATOM 0 HD1 TYR A 49 -1.251 1.461 -8.171 1.00 74.23 H new ATOM 0 HD2 TYR A 49 1.880 -1.443 -8.225 1.00 5.35 H new ATOM 0 HE1 TYR A 49 0.394 3.225 -8.621 1.00 72.22 H new ATOM 0 HE2 TYR A 49 3.505 0.323 -8.677 1.00 61.15 H new ATOM 0 HH TYR A 49 3.624 2.901 -8.207 1.00 42.31 H new ATOM 837 N LEU A 50 -3.428 -3.127 -8.023 1.00 53.40 N ATOM 838 CA LEU A 50 -3.985 -4.492 -7.766 1.00 60.35 C ATOM 839 C LEU A 50 -4.641 -5.137 -9.008 1.00 23.40 C ATOM 840 O LEU A 50 -4.706 -6.362 -9.106 1.00 1.20 O ATOM 841 CB LEU A 50 -4.979 -4.501 -6.575 1.00 11.01 C ATOM 842 CG LEU A 50 -4.327 -4.575 -5.160 1.00 33.34 C ATOM 843 CD1 LEU A 50 -3.593 -3.287 -4.780 1.00 25.21 C ATOM 844 CD2 LEU A 50 -5.361 -4.954 -4.099 1.00 14.34 C ATOM 0 H LEU A 50 -3.861 -2.387 -7.470 1.00 53.40 H new ATOM 0 HA LEU A 50 -3.120 -5.102 -7.507 1.00 60.35 H new ATOM 0 HB2 LEU A 50 -5.591 -3.601 -6.628 1.00 11.01 H new ATOM 0 HB3 LEU A 50 -5.652 -5.351 -6.691 1.00 11.01 H new ATOM 0 HG LEU A 50 -3.573 -5.361 -5.203 1.00 33.34 H new ATOM 0 HD11 LEU A 50 -3.159 -3.395 -3.786 1.00 25.21 H new ATOM 0 HD12 LEU A 50 -2.800 -3.093 -5.503 1.00 25.21 H new ATOM 0 HD13 LEU A 50 -4.296 -2.454 -4.780 1.00 25.21 H new ATOM 0 HD21 LEU A 50 -4.880 -4.999 -3.122 1.00 14.34 H new ATOM 0 HD22 LEU A 50 -6.153 -4.206 -4.080 1.00 14.34 H new ATOM 0 HD23 LEU A 50 -5.788 -5.928 -4.338 1.00 14.34 H new ATOM 856 N LYS A 51 -5.131 -4.303 -9.936 1.00 45.31 N ATOM 857 CA LYS A 51 -5.706 -4.776 -11.216 1.00 64.20 C ATOM 858 C LYS A 51 -4.624 -5.431 -12.111 1.00 30.43 C ATOM 859 O LYS A 51 -4.852 -6.502 -12.694 1.00 54.41 O ATOM 860 CB LYS A 51 -6.415 -3.597 -11.963 1.00 22.40 C ATOM 861 CG LYS A 51 -7.905 -3.382 -11.588 1.00 43.33 C ATOM 862 CD LYS A 51 -8.151 -3.144 -10.078 1.00 11.15 C ATOM 863 CE LYS A 51 -9.646 -2.967 -9.754 1.00 51.30 C ATOM 864 NZ LYS A 51 -10.449 -4.160 -10.148 1.00 23.14 N ATOM 0 H LYS A 51 -5.143 -3.289 -9.828 1.00 45.31 H new ATOM 0 HA LYS A 51 -6.451 -5.540 -10.992 1.00 64.20 H new ATOM 0 HB2 LYS A 51 -5.868 -2.677 -11.758 1.00 22.40 H new ATOM 0 HB3 LYS A 51 -6.349 -3.775 -13.036 1.00 22.40 H new ATOM 0 HG2 LYS A 51 -8.289 -2.528 -12.146 1.00 43.33 H new ATOM 0 HG3 LYS A 51 -8.477 -4.254 -11.905 1.00 43.33 H new ATOM 0 HD2 LYS A 51 -7.755 -3.986 -9.510 1.00 11.15 H new ATOM 0 HD3 LYS A 51 -7.604 -2.257 -9.758 1.00 11.15 H new ATOM 0 HE2 LYS A 51 -9.766 -2.786 -8.686 1.00 51.30 H new ATOM 0 HE3 LYS A 51 -10.027 -2.087 -10.271 1.00 51.30 H new ATOM 0 HZ1 LYS A 51 -11.401 -4.090 -9.735 1.00 23.14 H new ATOM 0 HZ2 LYS A 51 -10.523 -4.201 -11.185 1.00 23.14 H new ATOM 0 HZ3 LYS A 51 -9.983 -5.022 -9.800 1.00 23.14 H new ATOM 878 N LYS A 52 -3.439 -4.791 -12.195 1.00 0.30 N ATOM 879 CA LYS A 52 -2.314 -5.274 -13.033 1.00 74.24 C ATOM 880 C LYS A 52 -1.370 -6.241 -12.262 1.00 15.11 C ATOM 881 O LYS A 52 -0.622 -7.001 -12.887 1.00 41.34 O ATOM 882 CB LYS A 52 -1.538 -4.062 -13.629 1.00 63.22 C ATOM 883 CG LYS A 52 -0.861 -3.114 -12.606 1.00 31.13 C ATOM 884 CD LYS A 52 -0.347 -1.808 -13.264 1.00 70.02 C ATOM 885 CE LYS A 52 0.393 -0.879 -12.276 1.00 14.13 C ATOM 886 NZ LYS A 52 1.682 -1.461 -11.791 1.00 33.43 N ATOM 0 H LYS A 52 -3.233 -3.930 -11.689 1.00 0.30 H new ATOM 0 HA LYS A 52 -2.733 -5.857 -13.853 1.00 74.24 H new ATOM 0 HB2 LYS A 52 -0.771 -4.444 -14.302 1.00 63.22 H new ATOM 0 HB3 LYS A 52 -2.230 -3.476 -14.234 1.00 63.22 H new ATOM 0 HG2 LYS A 52 -1.572 -2.866 -11.818 1.00 31.13 H new ATOM 0 HG3 LYS A 52 -0.027 -3.631 -12.131 1.00 31.13 H new ATOM 0 HD2 LYS A 52 0.323 -2.062 -14.085 1.00 70.02 H new ATOM 0 HD3 LYS A 52 -1.191 -1.270 -13.696 1.00 70.02 H new ATOM 0 HE2 LYS A 52 0.591 0.077 -12.761 1.00 14.13 H new ATOM 0 HE3 LYS A 52 -0.253 -0.675 -11.422 1.00 14.13 H new ATOM 0 HZ1 LYS A 52 1.712 -1.420 -10.752 1.00 33.43 H new ATOM 0 HZ2 LYS A 52 1.754 -2.451 -12.101 1.00 33.43 H new ATOM 0 HZ3 LYS A 52 2.477 -0.917 -12.182 1.00 33.43 H new ATOM 900 N MET A 53 -1.422 -6.228 -10.908 1.00 71.53 N ATOM 901 CA MET A 53 -0.571 -7.107 -10.065 1.00 1.13 C ATOM 902 C MET A 53 -1.191 -8.512 -9.905 1.00 45.14 C ATOM 903 O MET A 53 -2.397 -8.659 -9.680 1.00 4.13 O ATOM 904 CB MET A 53 -0.290 -6.505 -8.650 1.00 13.10 C ATOM 905 CG MET A 53 0.725 -5.351 -8.633 1.00 63.44 C ATOM 906 SD MET A 53 1.314 -4.911 -6.974 1.00 11.22 S ATOM 907 CE MET A 53 -0.205 -4.589 -6.075 1.00 54.12 C ATOM 0 H MET A 53 -2.043 -5.619 -10.375 1.00 71.53 H new ATOM 0 HA MET A 53 0.379 -7.187 -10.593 1.00 1.13 H new ATOM 0 HB2 MET A 53 -1.230 -6.150 -8.228 1.00 13.10 H new ATOM 0 HB3 MET A 53 0.073 -7.299 -7.998 1.00 13.10 H new ATOM 0 HG2 MET A 53 1.581 -5.624 -9.251 1.00 63.44 H new ATOM 0 HG3 MET A 53 0.269 -4.473 -9.090 1.00 63.44 H new ATOM 0 HE1 MET A 53 -0.090 -3.684 -5.478 1.00 54.12 H new ATOM 0 HE2 MET A 53 -1.025 -4.456 -6.781 1.00 54.12 H new ATOM 0 HE3 MET A 53 -0.425 -5.431 -5.419 1.00 54.12 H new ATOM 917 N ASN A 54 -0.329 -9.526 -10.016 1.00 21.13 N ATOM 918 CA ASN A 54 -0.680 -10.931 -9.754 1.00 61.23 C ATOM 919 C ASN A 54 -0.672 -11.214 -8.238 1.00 2.14 C ATOM 920 O ASN A 54 -0.120 -10.439 -7.453 1.00 73.34 O ATOM 921 CB ASN A 54 0.310 -11.876 -10.469 1.00 22.44 C ATOM 922 CG ASN A 54 0.151 -11.910 -11.987 1.00 42.54 C ATOM 923 OD1 ASN A 54 -0.280 -10.947 -12.616 1.00 21.00 O ATOM 924 ND2 ASN A 54 0.512 -13.031 -12.585 1.00 62.20 N ATOM 0 H ASN A 54 0.644 -9.397 -10.293 1.00 21.13 H new ATOM 0 HA ASN A 54 -1.683 -11.111 -10.141 1.00 61.23 H new ATOM 0 HB2 ASN A 54 1.328 -11.569 -10.228 1.00 22.44 H new ATOM 0 HB3 ASN A 54 0.180 -12.885 -10.078 1.00 22.44 H new ATOM 0 HD21 ASN A 54 0.437 -13.115 -13.599 1.00 62.20 H new ATOM 0 HD22 ASN A 54 0.866 -13.812 -12.033 1.00 62.20 H new ATOM 931 N GLU A 55 -1.236 -12.372 -7.865 1.00 72.12 N ATOM 932 CA GLU A 55 -1.420 -12.805 -6.461 1.00 61.22 C ATOM 933 C GLU A 55 -0.083 -12.845 -5.682 1.00 63.22 C ATOM 934 O GLU A 55 -0.043 -12.585 -4.471 1.00 62.24 O ATOM 935 CB GLU A 55 -2.096 -14.203 -6.436 1.00 74.21 C ATOM 936 CG GLU A 55 -3.517 -14.283 -7.047 1.00 73.52 C ATOM 937 CD GLU A 55 -3.621 -13.979 -8.562 1.00 14.15 C ATOM 938 OE1 GLU A 55 -3.290 -14.865 -9.372 1.00 2.20 O ATOM 939 OE2 GLU A 55 -4.005 -12.839 -8.937 1.00 3.12 O ATOM 0 H GLU A 55 -1.586 -13.052 -8.540 1.00 72.12 H new ATOM 0 HA GLU A 55 -2.058 -12.073 -5.966 1.00 61.22 H new ATOM 0 HB2 GLU A 55 -1.454 -14.904 -6.968 1.00 74.21 H new ATOM 0 HB3 GLU A 55 -2.148 -14.541 -5.401 1.00 74.21 H new ATOM 0 HG2 GLU A 55 -3.912 -15.283 -6.869 1.00 73.52 H new ATOM 0 HG3 GLU A 55 -4.161 -13.586 -6.511 1.00 73.52 H new ATOM 946 N GLU A 56 1.002 -13.139 -6.419 1.00 44.13 N ATOM 947 CA GLU A 56 2.376 -13.209 -5.882 1.00 14.10 C ATOM 948 C GLU A 56 2.854 -11.808 -5.391 1.00 53.21 C ATOM 949 O GLU A 56 3.620 -11.690 -4.432 1.00 15.01 O ATOM 950 CB GLU A 56 3.348 -13.768 -6.970 1.00 3.41 C ATOM 951 CG GLU A 56 2.780 -14.900 -7.873 1.00 21.53 C ATOM 952 CD GLU A 56 2.119 -16.053 -7.092 1.00 2.30 C ATOM 953 OE1 GLU A 56 2.835 -16.796 -6.396 1.00 71.12 O ATOM 954 OE2 GLU A 56 0.881 -16.226 -7.184 1.00 43.40 O ATOM 0 H GLU A 56 0.951 -13.338 -7.418 1.00 44.13 H new ATOM 0 HA GLU A 56 2.378 -13.884 -5.026 1.00 14.10 H new ATOM 0 HB2 GLU A 56 3.660 -12.942 -7.609 1.00 3.41 H new ATOM 0 HB3 GLU A 56 4.243 -14.142 -6.472 1.00 3.41 H new ATOM 0 HG2 GLU A 56 2.048 -14.472 -8.557 1.00 21.53 H new ATOM 0 HG3 GLU A 56 3.588 -15.304 -8.483 1.00 21.53 H new ATOM 961 N GLU A 57 2.443 -10.770 -6.121 1.00 72.34 N ATOM 962 CA GLU A 57 2.704 -9.349 -5.781 1.00 34.21 C ATOM 963 C GLU A 57 1.700 -8.803 -4.710 1.00 34.03 C ATOM 964 O GLU A 57 2.086 -8.048 -3.806 1.00 62.40 O ATOM 965 CB GLU A 57 2.662 -8.524 -7.094 1.00 50.11 C ATOM 966 CG GLU A 57 3.562 -9.105 -8.214 1.00 44.04 C ATOM 967 CD GLU A 57 3.502 -8.319 -9.533 1.00 11.31 C ATOM 968 OE1 GLU A 57 2.511 -8.454 -10.278 1.00 52.51 O ATOM 969 OE2 GLU A 57 4.460 -7.589 -9.844 1.00 53.15 O ATOM 0 H GLU A 57 1.909 -10.883 -6.983 1.00 72.34 H new ATOM 0 HA GLU A 57 3.689 -9.259 -5.324 1.00 34.21 H new ATOM 0 HB2 GLU A 57 1.634 -8.477 -7.452 1.00 50.11 H new ATOM 0 HB3 GLU A 57 2.973 -7.501 -6.882 1.00 50.11 H new ATOM 0 HG2 GLU A 57 4.594 -9.127 -7.863 1.00 44.04 H new ATOM 0 HG3 GLU A 57 3.268 -10.137 -8.404 1.00 44.04 H new ATOM 976 N LEU A 58 0.411 -9.194 -4.845 1.00 41.01 N ATOM 977 CA LEU A 58 -0.700 -8.811 -3.910 1.00 15.15 C ATOM 978 C LEU A 58 -0.436 -9.186 -2.426 1.00 63.32 C ATOM 979 O LEU A 58 -0.850 -8.460 -1.519 1.00 72.51 O ATOM 980 CB LEU A 58 -2.031 -9.486 -4.340 1.00 62.15 C ATOM 981 CG LEU A 58 -2.526 -9.183 -5.779 1.00 44.33 C ATOM 982 CD1 LEU A 58 -3.824 -9.942 -6.083 1.00 63.34 C ATOM 983 CD2 LEU A 58 -2.696 -7.677 -6.019 1.00 22.23 C ATOM 0 H LEU A 58 0.099 -9.791 -5.611 1.00 41.01 H new ATOM 0 HA LEU A 58 -0.762 -7.725 -3.975 1.00 15.15 H new ATOM 0 HB2 LEU A 58 -1.915 -10.565 -4.239 1.00 62.15 H new ATOM 0 HB3 LEU A 58 -2.810 -9.182 -3.640 1.00 62.15 H new ATOM 0 HG LEU A 58 -1.758 -9.534 -6.469 1.00 44.33 H new ATOM 0 HD11 LEU A 58 -4.150 -9.713 -7.097 1.00 63.34 H new ATOM 0 HD12 LEU A 58 -3.649 -11.014 -5.992 1.00 63.34 H new ATOM 0 HD13 LEU A 58 -4.597 -9.639 -5.376 1.00 63.34 H new ATOM 0 HD21 LEU A 58 -3.044 -7.508 -7.038 1.00 22.23 H new ATOM 0 HD22 LEU A 58 -3.426 -7.277 -5.315 1.00 22.23 H new ATOM 0 HD23 LEU A 58 -1.739 -7.175 -5.874 1.00 22.23 H new ATOM 995 N GLU A 59 0.201 -10.346 -2.194 1.00 21.12 N ATOM 996 CA GLU A 59 0.509 -10.838 -0.825 1.00 61.21 C ATOM 997 C GLU A 59 1.546 -9.937 -0.101 1.00 62.02 C ATOM 998 O GLU A 59 1.541 -9.844 1.130 1.00 31.11 O ATOM 999 CB GLU A 59 0.983 -12.312 -0.883 1.00 31.21 C ATOM 1000 CG GLU A 59 2.236 -12.545 -1.743 1.00 53.40 C ATOM 1001 CD GLU A 59 2.547 -14.028 -1.981 1.00 30.33 C ATOM 1002 OE1 GLU A 59 1.859 -14.664 -2.806 1.00 15.51 O ATOM 1003 OE2 GLU A 59 3.475 -14.568 -1.342 1.00 23.31 O ATOM 0 H GLU A 59 0.518 -10.969 -2.937 1.00 21.12 H new ATOM 0 HA GLU A 59 -0.408 -10.790 -0.237 1.00 61.21 H new ATOM 0 HB2 GLU A 59 1.185 -12.656 0.131 1.00 31.21 H new ATOM 0 HB3 GLU A 59 0.171 -12.927 -1.272 1.00 31.21 H new ATOM 0 HG2 GLU A 59 2.104 -12.051 -2.705 1.00 53.40 H new ATOM 0 HG3 GLU A 59 3.092 -12.075 -1.259 1.00 53.40 H new ATOM 1010 N GLU A 60 2.429 -9.277 -0.878 1.00 75.25 N ATOM 1011 CA GLU A 60 3.344 -8.244 -0.350 1.00 20.44 C ATOM 1012 C GLU A 60 2.558 -6.953 0.006 1.00 14.21 C ATOM 1013 O GLU A 60 2.890 -6.256 0.968 1.00 30.03 O ATOM 1014 CB GLU A 60 4.471 -7.930 -1.377 1.00 4.21 C ATOM 1015 CG GLU A 60 5.471 -6.822 -0.955 1.00 45.14 C ATOM 1016 CD GLU A 60 6.398 -7.198 0.225 1.00 61.42 C ATOM 1017 OE1 GLU A 60 5.922 -7.279 1.383 1.00 51.35 O ATOM 1018 OE2 GLU A 60 7.612 -7.407 0.000 1.00 12.52 O ATOM 0 H GLU A 60 2.528 -9.443 -1.880 1.00 75.25 H new ATOM 0 HA GLU A 60 3.807 -8.629 0.559 1.00 20.44 H new ATOM 0 HB2 GLU A 60 5.030 -8.846 -1.567 1.00 4.21 H new ATOM 0 HB3 GLU A 60 4.008 -7.637 -2.319 1.00 4.21 H new ATOM 0 HG2 GLU A 60 6.088 -6.563 -1.815 1.00 45.14 H new ATOM 0 HG3 GLU A 60 4.908 -5.928 -0.686 1.00 45.14 H new ATOM 1025 N TYR A 61 1.509 -6.647 -0.786 1.00 33.34 N ATOM 1026 CA TYR A 61 0.616 -5.490 -0.524 1.00 62.55 C ATOM 1027 C TYR A 61 -0.170 -5.666 0.799 1.00 33.35 C ATOM 1028 O TYR A 61 -0.424 -4.692 1.520 1.00 11.22 O ATOM 1029 CB TYR A 61 -0.348 -5.260 -1.712 1.00 32.12 C ATOM 1030 CG TYR A 61 -1.199 -3.995 -1.564 1.00 51.24 C ATOM 1031 CD1 TYR A 61 -0.623 -2.732 -1.696 1.00 21.02 C ATOM 1032 CD2 TYR A 61 -2.567 -4.059 -1.280 1.00 35.24 C ATOM 1033 CE1 TYR A 61 -1.367 -1.588 -1.553 1.00 62.52 C ATOM 1034 CE2 TYR A 61 -3.319 -2.911 -1.140 1.00 61.23 C ATOM 1035 CZ TYR A 61 -2.709 -1.676 -1.285 1.00 73.41 C ATOM 1036 OH TYR A 61 -3.440 -0.525 -1.165 1.00 4.51 O ATOM 0 H TYR A 61 1.256 -7.184 -1.615 1.00 33.34 H new ATOM 0 HA TYR A 61 1.245 -4.606 -0.417 1.00 62.55 H new ATOM 0 HB2 TYR A 61 0.231 -5.195 -2.633 1.00 32.12 H new ATOM 0 HB3 TYR A 61 -1.006 -6.123 -1.809 1.00 32.12 H new ATOM 0 HD1 TYR A 61 0.431 -2.653 -1.916 1.00 21.02 H new ATOM 0 HD2 TYR A 61 -3.042 -5.022 -1.169 1.00 35.24 H new ATOM 0 HE1 TYR A 61 -0.897 -0.621 -1.651 1.00 62.52 H new ATOM 0 HE2 TYR A 61 -4.374 -2.975 -0.919 1.00 61.23 H new ATOM 0 HH TYR A 61 -3.084 0.154 -1.776 1.00 4.51 H new ATOM 1046 N ASP A 62 -0.537 -6.921 1.096 1.00 52.12 N ATOM 1047 CA ASP A 62 -1.184 -7.309 2.366 1.00 71.32 C ATOM 1048 C ASP A 62 -0.283 -6.972 3.596 1.00 52.21 C ATOM 1049 O ASP A 62 -0.785 -6.615 4.672 1.00 4.31 O ATOM 1050 CB ASP A 62 -1.531 -8.819 2.304 1.00 42.25 C ATOM 1051 CG ASP A 62 -2.276 -9.315 3.550 1.00 41.13 C ATOM 1052 OD1 ASP A 62 -3.459 -8.961 3.720 1.00 3.43 O ATOM 1053 OD2 ASP A 62 -1.679 -10.037 4.372 1.00 43.44 O ATOM 0 H ASP A 62 -0.394 -7.705 0.459 1.00 52.12 H new ATOM 0 HA ASP A 62 -2.101 -6.735 2.496 1.00 71.32 H new ATOM 0 HB2 ASP A 62 -2.142 -9.010 1.422 1.00 42.25 H new ATOM 0 HB3 ASP A 62 -0.612 -9.393 2.185 1.00 42.25 H new ATOM 1058 N SER A 63 1.050 -7.061 3.401 1.00 33.13 N ATOM 1059 CA SER A 63 2.056 -6.687 4.429 1.00 1.13 C ATOM 1060 C SER A 63 2.018 -5.167 4.744 1.00 41.14 C ATOM 1061 O SER A 63 2.200 -4.761 5.891 1.00 43.15 O ATOM 1062 CB SER A 63 3.478 -7.081 3.959 1.00 61.00 C ATOM 1063 OG SER A 63 3.541 -8.432 3.527 1.00 61.23 O ATOM 0 H SER A 63 1.463 -7.393 2.529 1.00 33.13 H new ATOM 0 HA SER A 63 1.807 -7.231 5.340 1.00 1.13 H new ATOM 0 HB2 SER A 63 3.785 -6.425 3.144 1.00 61.00 H new ATOM 0 HB3 SER A 63 4.185 -6.928 4.775 1.00 61.00 H new ATOM 0 HG SER A 63 4.454 -8.641 3.237 1.00 61.23 H new ATOM 1069 N LEU A 64 1.772 -4.340 3.702 1.00 65.25 N ATOM 1070 CA LEU A 64 1.733 -2.856 3.817 1.00 2.52 C ATOM 1071 C LEU A 64 0.500 -2.367 4.626 1.00 13.23 C ATOM 1072 O LEU A 64 0.550 -1.330 5.292 1.00 32.33 O ATOM 1073 CB LEU A 64 1.737 -2.226 2.396 1.00 2.35 C ATOM 1074 CG LEU A 64 1.890 -0.671 2.319 1.00 52.55 C ATOM 1075 CD1 LEU A 64 3.240 -0.200 2.916 1.00 1.34 C ATOM 1076 CD2 LEU A 64 1.697 -0.153 0.869 1.00 22.30 C ATOM 0 H LEU A 64 1.594 -4.678 2.756 1.00 65.25 H new ATOM 0 HA LEU A 64 2.620 -2.535 4.363 1.00 2.52 H new ATOM 0 HB2 LEU A 64 2.549 -2.677 1.826 1.00 2.35 H new ATOM 0 HB3 LEU A 64 0.807 -2.502 1.899 1.00 2.35 H new ATOM 0 HG LEU A 64 1.098 -0.236 2.929 1.00 52.55 H new ATOM 0 HD11 LEU A 64 3.310 0.885 2.845 1.00 1.34 H new ATOM 0 HD12 LEU A 64 3.299 -0.500 3.962 1.00 1.34 H new ATOM 0 HD13 LEU A 64 4.061 -0.654 2.361 1.00 1.34 H new ATOM 0 HD21 LEU A 64 1.810 0.931 0.852 1.00 22.30 H new ATOM 0 HD22 LEU A 64 2.445 -0.606 0.218 1.00 22.30 H new ATOM 0 HD23 LEU A 64 0.700 -0.420 0.517 1.00 22.30 H new ATOM 1088 N LEU A 65 -0.596 -3.142 4.564 1.00 60.01 N ATOM 1089 CA LEU A 65 -1.857 -2.844 5.296 1.00 51.13 C ATOM 1090 C LEU A 65 -1.681 -2.960 6.835 1.00 21.11 C ATOM 1091 O LEU A 65 -2.418 -2.336 7.606 1.00 65.14 O ATOM 1092 CB LEU A 65 -2.965 -3.812 4.809 1.00 62.44 C ATOM 1093 CG LEU A 65 -3.187 -3.840 3.265 1.00 64.33 C ATOM 1094 CD1 LEU A 65 -4.237 -4.891 2.869 1.00 15.24 C ATOM 1095 CD2 LEU A 65 -3.553 -2.438 2.726 1.00 60.45 C ATOM 0 H LEU A 65 -0.641 -3.995 4.007 1.00 60.01 H new ATOM 0 HA LEU A 65 -2.139 -1.813 5.084 1.00 51.13 H new ATOM 0 HB2 LEU A 65 -2.718 -4.820 5.143 1.00 62.44 H new ATOM 0 HB3 LEU A 65 -3.903 -3.537 5.291 1.00 62.44 H new ATOM 0 HG LEU A 65 -2.245 -4.132 2.800 1.00 64.33 H new ATOM 0 HD11 LEU A 65 -4.368 -4.885 1.787 1.00 15.24 H new ATOM 0 HD12 LEU A 65 -3.902 -5.878 3.188 1.00 15.24 H new ATOM 0 HD13 LEU A 65 -5.186 -4.656 3.351 1.00 15.24 H new ATOM 0 HD21 LEU A 65 -3.701 -2.490 1.647 1.00 60.45 H new ATOM 0 HD22 LEU A 65 -4.471 -2.093 3.202 1.00 60.45 H new ATOM 0 HD23 LEU A 65 -2.745 -1.741 2.948 1.00 60.45 H new ATOM 1107 N ASN A 66 -0.680 -3.764 7.250 1.00 44.10 N ATOM 1108 CA ASN A 66 -0.351 -4.024 8.674 1.00 74.43 C ATOM 1109 C ASN A 66 0.419 -2.842 9.317 1.00 10.34 C ATOM 1110 O ASN A 66 0.505 -2.742 10.549 1.00 14.22 O ATOM 1111 CB ASN A 66 0.510 -5.309 8.767 1.00 11.31 C ATOM 1112 CG ASN A 66 -0.114 -6.507 8.051 1.00 51.31 C ATOM 1113 OD1 ASN A 66 0.708 -7.357 7.473 1.00 62.23 O flip ATOM 1114 ND2 ASN A 66 -1.326 -6.656 7.998 1.00 62.44 N flip ATOM 0 H ASN A 66 -0.068 -4.258 6.601 1.00 44.10 H new ATOM 0 HA ASN A 66 -1.287 -4.146 9.220 1.00 74.43 H new ATOM 0 HB2 ASN A 66 1.493 -5.111 8.340 1.00 11.31 H new ATOM 0 HB3 ASN A 66 0.663 -5.561 9.816 1.00 11.31 H new ATOM 0 HD21 ASN A 66 -1.943 -5.984 8.454 1.00 62.44 H new ATOM 0 HD22 ASN A 66 -1.721 -7.453 7.498 1.00 62.44 H new ATOM 1121 N GLU A 67 0.983 -1.963 8.470 1.00 45.42 N ATOM 1122 CA GLU A 67 1.866 -0.864 8.909 1.00 51.52 C ATOM 1123 C GLU A 67 1.055 0.361 9.389 1.00 62.23 C ATOM 1124 O GLU A 67 -0.121 0.534 9.020 1.00 41.33 O ATOM 1125 CB GLU A 67 2.825 -0.455 7.744 1.00 31.53 C ATOM 1126 CG GLU A 67 3.519 -1.633 7.011 1.00 50.03 C ATOM 1127 CD GLU A 67 4.313 -2.568 7.935 1.00 31.23 C ATOM 1128 OE1 GLU A 67 5.457 -2.227 8.301 1.00 54.43 O ATOM 1129 OE2 GLU A 67 3.810 -3.660 8.286 1.00 11.22 O ATOM 0 H GLU A 67 0.840 -1.993 7.460 1.00 45.42 H new ATOM 0 HA GLU A 67 2.454 -1.222 9.754 1.00 51.52 H new ATOM 0 HB2 GLU A 67 2.257 0.122 7.014 1.00 31.53 H new ATOM 0 HB3 GLU A 67 3.594 0.206 8.144 1.00 31.53 H new ATOM 0 HG2 GLU A 67 2.762 -2.216 6.486 1.00 50.03 H new ATOM 0 HG3 GLU A 67 4.192 -1.230 6.255 1.00 50.03 H new ATOM 1136 N LEU A 68 1.704 1.203 10.214 1.00 15.20 N ATOM 1137 CA LEU A 68 1.132 2.469 10.701 1.00 14.13 C ATOM 1138 C LEU A 68 0.883 3.428 9.501 1.00 12.42 C ATOM 1139 O LEU A 68 1.732 3.534 8.617 1.00 65.22 O ATOM 1140 CB LEU A 68 2.102 3.118 11.752 1.00 33.51 C ATOM 1141 CG LEU A 68 1.462 3.944 12.926 1.00 33.31 C ATOM 1142 CD1 LEU A 68 2.553 4.442 13.907 1.00 73.24 C ATOM 1143 CD2 LEU A 68 0.591 5.127 12.425 1.00 61.23 C ATOM 0 H LEU A 68 2.645 1.022 10.563 1.00 15.20 H new ATOM 0 HA LEU A 68 0.177 2.278 11.190 1.00 14.13 H new ATOM 0 HB2 LEU A 68 2.702 2.321 12.191 1.00 33.51 H new ATOM 0 HB3 LEU A 68 2.787 3.774 11.215 1.00 33.51 H new ATOM 0 HG LEU A 68 0.793 3.266 13.457 1.00 33.31 H new ATOM 0 HD11 LEU A 68 2.087 5.011 14.711 1.00 73.24 H new ATOM 0 HD12 LEU A 68 3.082 3.587 14.327 1.00 73.24 H new ATOM 0 HD13 LEU A 68 3.259 5.079 13.374 1.00 73.24 H new ATOM 0 HD21 LEU A 68 0.176 5.661 13.280 1.00 61.23 H new ATOM 0 HD22 LEU A 68 1.206 5.808 11.836 1.00 61.23 H new ATOM 0 HD23 LEU A 68 -0.221 4.745 11.806 1.00 61.23 H new ATOM 1155 N ASP A 69 -0.297 4.075 9.486 1.00 73.53 N ATOM 1156 CA ASP A 69 -0.712 5.063 8.443 1.00 53.24 C ATOM 1157 C ASP A 69 0.410 6.081 8.131 1.00 2.25 C ATOM 1158 O ASP A 69 0.834 6.224 6.976 1.00 72.43 O ATOM 1159 CB ASP A 69 -1.973 5.834 8.917 1.00 54.02 C ATOM 1160 CG ASP A 69 -2.970 4.931 9.635 1.00 52.40 C ATOM 1161 OD1 ASP A 69 -3.536 4.040 8.992 1.00 64.32 O ATOM 1162 OD2 ASP A 69 -3.163 5.085 10.857 1.00 73.43 O ATOM 0 H ASP A 69 -1.008 3.932 10.204 1.00 73.53 H new ATOM 0 HA ASP A 69 -0.928 4.502 7.534 1.00 53.24 H new ATOM 0 HB2 ASP A 69 -1.672 6.642 9.584 1.00 54.02 H new ATOM 0 HB3 ASP A 69 -2.458 6.295 8.057 1.00 54.02 H new ATOM 1167 N TRP A 70 0.891 6.755 9.196 1.00 63.54 N ATOM 1168 CA TRP A 70 2.009 7.718 9.120 1.00 3.32 C ATOM 1169 C TRP A 70 3.266 7.096 8.475 1.00 74.21 C ATOM 1170 O TRP A 70 3.846 7.687 7.567 1.00 42.41 O ATOM 1171 CB TRP A 70 2.343 8.268 10.533 1.00 72.11 C ATOM 1172 CG TRP A 70 1.295 9.224 11.065 1.00 74.54 C ATOM 1173 CD1 TRP A 70 0.428 9.029 12.110 1.00 41.22 C ATOM 1174 CD2 TRP A 70 1.003 10.528 10.543 1.00 42.34 C ATOM 1175 NE1 TRP A 70 -0.370 10.135 12.270 1.00 52.22 N ATOM 1176 CE2 TRP A 70 -0.040 11.064 11.315 1.00 13.33 C ATOM 1177 CE3 TRP A 70 1.528 11.293 9.490 1.00 3.31 C ATOM 1178 CZ2 TRP A 70 -0.568 12.332 11.068 1.00 21.12 C ATOM 1179 CZ3 TRP A 70 1.000 12.542 9.243 1.00 71.25 C ATOM 1180 CH2 TRP A 70 -0.039 13.050 10.027 1.00 2.14 C ATOM 0 H TRP A 70 0.513 6.646 10.137 1.00 63.54 H new ATOM 0 HA TRP A 70 1.689 8.541 8.481 1.00 3.32 H new ATOM 0 HB2 TRP A 70 2.448 7.433 11.225 1.00 72.11 H new ATOM 0 HB3 TRP A 70 3.306 8.777 10.499 1.00 72.11 H new ATOM 0 HD1 TRP A 70 0.380 8.137 12.717 1.00 41.22 H new ATOM 0 HE1 TRP A 70 -1.091 10.248 12.983 1.00 52.22 H new ATOM 0 HE3 TRP A 70 2.334 10.909 8.882 1.00 3.31 H new ATOM 0 HZ2 TRP A 70 -1.365 12.734 11.676 1.00 21.12 H new ATOM 0 HZ3 TRP A 70 1.395 13.136 8.432 1.00 71.25 H new ATOM 0 HH2 TRP A 70 -0.434 14.031 9.808 1.00 2.14 H new ATOM 1191 N ASP A 71 3.640 5.883 8.917 1.00 10.44 N ATOM 1192 CA ASP A 71 4.830 5.160 8.407 1.00 3.14 C ATOM 1193 C ASP A 71 4.728 4.864 6.890 1.00 5.10 C ATOM 1194 O ASP A 71 5.666 5.150 6.151 1.00 43.14 O ATOM 1195 CB ASP A 71 5.033 3.860 9.228 1.00 32.55 C ATOM 1196 CG ASP A 71 5.645 4.126 10.612 1.00 22.11 C ATOM 1197 OD1 ASP A 71 5.022 4.863 11.414 1.00 32.25 O ATOM 1198 OD2 ASP A 71 6.760 3.631 10.897 1.00 52.14 O ATOM 0 H ASP A 71 3.130 5.372 9.637 1.00 10.44 H new ATOM 0 HA ASP A 71 5.703 5.801 8.532 1.00 3.14 H new ATOM 0 HB2 ASP A 71 4.073 3.358 9.349 1.00 32.55 H new ATOM 0 HB3 ASP A 71 5.680 3.181 8.673 1.00 32.55 H new ATOM 1203 N ILE A 72 3.572 4.330 6.441 1.00 65.42 N ATOM 1204 CA ILE A 72 3.281 4.089 4.997 1.00 51.34 C ATOM 1205 C ILE A 72 3.512 5.379 4.167 1.00 54.30 C ATOM 1206 O ILE A 72 4.193 5.364 3.138 1.00 73.54 O ATOM 1207 CB ILE A 72 1.788 3.616 4.791 1.00 3.41 C ATOM 1208 CG1 ILE A 72 1.488 2.320 5.608 1.00 34.53 C ATOM 1209 CG2 ILE A 72 1.449 3.418 3.286 1.00 3.54 C ATOM 1210 CD1 ILE A 72 0.025 1.889 5.604 1.00 72.21 C ATOM 0 H ILE A 72 2.811 4.052 7.061 1.00 65.42 H new ATOM 0 HA ILE A 72 3.959 3.307 4.656 1.00 51.34 H new ATOM 0 HB ILE A 72 1.143 4.409 5.169 1.00 3.41 H new ATOM 0 HG12 ILE A 72 2.093 1.506 5.208 1.00 34.53 H new ATOM 0 HG13 ILE A 72 1.804 2.476 6.639 1.00 34.53 H new ATOM 0 HG21 ILE A 72 0.414 3.093 3.186 1.00 3.54 H new ATOM 0 HG22 ILE A 72 1.586 4.360 2.755 1.00 3.54 H new ATOM 0 HG23 ILE A 72 2.109 2.662 2.861 1.00 3.54 H new ATOM 0 HD11 ILE A 72 -0.088 0.981 6.196 1.00 72.21 H new ATOM 0 HD12 ILE A 72 -0.589 2.681 6.033 1.00 72.21 H new ATOM 0 HD13 ILE A 72 -0.295 1.697 4.580 1.00 72.21 H new ATOM 1222 N TYR A 73 2.970 6.492 4.685 1.00 65.32 N ATOM 1223 CA TYR A 73 3.018 7.813 4.035 1.00 72.43 C ATOM 1224 C TYR A 73 4.463 8.387 3.998 1.00 24.14 C ATOM 1225 O TYR A 73 4.871 8.983 3.000 1.00 63.34 O ATOM 1226 CB TYR A 73 2.059 8.776 4.786 1.00 4.55 C ATOM 1227 CG TYR A 73 1.861 10.147 4.123 1.00 73.22 C ATOM 1228 CD1 TYR A 73 1.022 10.295 3.012 1.00 72.25 C ATOM 1229 CD2 TYR A 73 2.511 11.293 4.603 1.00 60.31 C ATOM 1230 CE1 TYR A 73 0.844 11.530 2.407 1.00 43.14 C ATOM 1231 CE2 TYR A 73 2.333 12.526 3.999 1.00 12.10 C ATOM 1232 CZ TYR A 73 1.498 12.641 2.905 1.00 73.13 C ATOM 1233 OH TYR A 73 1.326 13.872 2.301 1.00 3.21 O ATOM 0 H TYR A 73 2.479 6.501 5.579 1.00 65.32 H new ATOM 0 HA TYR A 73 2.697 7.707 2.999 1.00 72.43 H new ATOM 0 HB2 TYR A 73 1.087 8.293 4.883 1.00 4.55 H new ATOM 0 HB3 TYR A 73 2.441 8.930 5.795 1.00 4.55 H new ATOM 0 HD1 TYR A 73 0.504 9.432 2.619 1.00 72.25 H new ATOM 0 HD2 TYR A 73 3.163 11.212 5.460 1.00 60.31 H new ATOM 0 HE1 TYR A 73 0.196 11.623 1.548 1.00 43.14 H new ATOM 0 HE2 TYR A 73 2.846 13.396 4.382 1.00 12.10 H new ATOM 0 HH TYR A 73 1.855 14.546 2.776 1.00 3.21 H new ATOM 1243 N TYR A 74 5.228 8.193 5.092 1.00 54.54 N ATOM 1244 CA TYR A 74 6.594 8.762 5.236 1.00 54.13 C ATOM 1245 C TYR A 74 7.647 7.991 4.415 1.00 62.34 C ATOM 1246 O TYR A 74 8.512 8.609 3.803 1.00 60.02 O ATOM 1247 CB TYR A 74 7.018 8.834 6.727 1.00 3.11 C ATOM 1248 CG TYR A 74 6.321 9.939 7.539 1.00 34.34 C ATOM 1249 CD1 TYR A 74 6.245 11.249 7.059 1.00 13.13 C ATOM 1250 CD2 TYR A 74 5.769 9.683 8.795 1.00 32.14 C ATOM 1251 CE1 TYR A 74 5.641 12.251 7.799 1.00 24.41 C ATOM 1252 CE2 TYR A 74 5.163 10.676 9.534 1.00 1.21 C ATOM 1253 CZ TYR A 74 5.101 11.958 9.035 1.00 51.50 C ATOM 1254 OH TYR A 74 4.506 12.952 9.780 1.00 41.53 O ATOM 0 H TYR A 74 4.925 7.644 5.896 1.00 54.54 H new ATOM 0 HA TYR A 74 6.549 9.774 4.835 1.00 54.13 H new ATOM 0 HB2 TYR A 74 6.812 7.872 7.196 1.00 3.11 H new ATOM 0 HB3 TYR A 74 8.096 8.989 6.777 1.00 3.11 H new ATOM 0 HD1 TYR A 74 6.665 11.484 6.092 1.00 13.13 H new ATOM 0 HD2 TYR A 74 5.818 8.682 9.198 1.00 32.14 H new ATOM 0 HE1 TYR A 74 5.593 13.258 7.411 1.00 24.41 H new ATOM 0 HE2 TYR A 74 4.738 10.450 10.501 1.00 1.21 H new ATOM 0 HH TYR A 74 3.539 12.796 9.820 1.00 41.53 H new ATOM 1264 N TRP A 75 7.580 6.647 4.412 1.00 43.34 N ATOM 1265 CA TRP A 75 8.473 5.808 3.571 1.00 32.41 C ATOM 1266 C TRP A 75 8.229 6.101 2.071 1.00 50.34 C ATOM 1267 O TRP A 75 9.164 6.123 1.264 1.00 33.32 O ATOM 1268 CB TRP A 75 8.249 4.298 3.836 1.00 13.24 C ATOM 1269 CG TRP A 75 8.387 3.848 5.274 1.00 45.45 C ATOM 1270 CD1 TRP A 75 9.208 4.357 6.245 1.00 60.32 C ATOM 1271 CD2 TRP A 75 7.682 2.758 5.881 1.00 61.35 C ATOM 1272 NE1 TRP A 75 9.034 3.662 7.415 1.00 41.12 N ATOM 1273 CE2 TRP A 75 8.106 2.677 7.214 1.00 45.12 C ATOM 1274 CE3 TRP A 75 6.723 1.850 5.418 1.00 35.11 C ATOM 1275 CZ2 TRP A 75 7.606 1.728 8.095 1.00 71.01 C ATOM 1276 CZ3 TRP A 75 6.228 0.906 6.292 1.00 4.32 C ATOM 1277 CH2 TRP A 75 6.671 0.850 7.621 1.00 23.13 C ATOM 0 H TRP A 75 6.921 6.114 4.979 1.00 43.34 H new ATOM 0 HA TRP A 75 9.500 6.059 3.835 1.00 32.41 H new ATOM 0 HB2 TRP A 75 7.251 4.033 3.488 1.00 13.24 H new ATOM 0 HB3 TRP A 75 8.958 3.734 3.230 1.00 13.24 H new ATOM 0 HD1 TRP A 75 9.891 5.183 6.110 1.00 60.32 H new ATOM 0 HE1 TRP A 75 9.518 3.849 8.293 1.00 41.12 H new ATOM 0 HE3 TRP A 75 6.377 1.888 4.396 1.00 35.11 H new ATOM 0 HZ2 TRP A 75 7.944 1.685 9.120 1.00 71.01 H new ATOM 0 HZ3 TRP A 75 5.488 0.199 5.948 1.00 4.32 H new ATOM 0 HH2 TRP A 75 6.266 0.099 8.283 1.00 23.13 H new ATOM 1288 N ALA A 76 6.946 6.331 1.736 1.00 31.41 N ATOM 1289 CA ALA A 76 6.494 6.705 0.381 1.00 0.05 C ATOM 1290 C ALA A 76 7.060 8.073 -0.071 1.00 45.21 C ATOM 1291 O ALA A 76 7.562 8.219 -1.189 1.00 3.24 O ATOM 1292 CB ALA A 76 4.968 6.738 0.361 1.00 62.12 C ATOM 0 H ALA A 76 6.182 6.261 2.408 1.00 31.41 H new ATOM 0 HA ALA A 76 6.869 5.959 -0.320 1.00 0.05 H new ATOM 0 HB1 ALA A 76 4.623 7.013 -0.636 1.00 62.12 H new ATOM 0 HB2 ALA A 76 4.579 5.753 0.620 1.00 62.12 H new ATOM 0 HB3 ALA A 76 4.610 7.471 1.084 1.00 62.12 H new ATOM 1298 N THR A 77 6.962 9.077 0.823 1.00 43.12 N ATOM 1299 CA THR A 77 7.506 10.447 0.587 1.00 73.30 C ATOM 1300 C THR A 77 9.027 10.528 0.884 1.00 73.41 C ATOM 1301 O THR A 77 9.629 11.610 0.783 1.00 4.52 O ATOM 1302 CB THR A 77 6.751 11.519 1.448 1.00 62.52 C ATOM 1303 OG1 THR A 77 6.880 11.219 2.854 1.00 4.31 O ATOM 1304 CG2 THR A 77 5.257 11.611 1.069 1.00 2.21 C ATOM 0 H THR A 77 6.506 8.971 1.729 1.00 43.12 H new ATOM 0 HA THR A 77 7.348 10.661 -0.470 1.00 73.30 H new ATOM 0 HB THR A 77 7.212 12.485 1.239 1.00 62.52 H new ATOM 0 HG1 THR A 77 7.387 10.388 2.966 1.00 4.31 H new ATOM 0 HG21 THR A 77 4.770 12.365 1.688 1.00 2.21 H new ATOM 0 HG22 THR A 77 5.164 11.889 0.019 1.00 2.21 H new ATOM 0 HG23 THR A 77 4.780 10.644 1.232 1.00 2.21 H new ATOM 1312 N LYS A 78 9.613 9.374 1.292 1.00 10.31 N ATOM 1313 CA LYS A 78 11.076 9.169 1.482 1.00 34.02 C ATOM 1314 C LYS A 78 11.613 9.865 2.775 1.00 4.53 C ATOM 1315 O LYS A 78 12.824 9.983 2.970 1.00 51.55 O ATOM 1316 CB LYS A 78 11.885 9.601 0.200 1.00 15.15 C ATOM 1317 CG LYS A 78 13.022 8.636 -0.219 1.00 12.11 C ATOM 1318 CD LYS A 78 13.863 9.198 -1.395 1.00 54.32 C ATOM 1319 CE LYS A 78 14.856 8.175 -1.973 1.00 30.22 C ATOM 1320 NZ LYS A 78 14.157 7.046 -2.640 1.00 60.41 N ATOM 0 H LYS A 78 9.069 8.537 1.504 1.00 10.31 H new ATOM 0 HA LYS A 78 11.233 8.100 1.624 1.00 34.02 H new ATOM 0 HB2 LYS A 78 11.189 9.700 -0.633 1.00 15.15 H new ATOM 0 HB3 LYS A 78 12.314 10.587 0.376 1.00 15.15 H new ATOM 0 HG2 LYS A 78 13.673 8.451 0.635 1.00 12.11 H new ATOM 0 HG3 LYS A 78 12.594 7.676 -0.507 1.00 12.11 H new ATOM 0 HD2 LYS A 78 13.192 9.531 -2.187 1.00 54.32 H new ATOM 0 HD3 LYS A 78 14.413 10.075 -1.054 1.00 54.32 H new ATOM 0 HE2 LYS A 78 15.513 8.670 -2.688 1.00 30.22 H new ATOM 0 HE3 LYS A 78 15.488 7.790 -1.173 1.00 30.22 H new ATOM 0 HZ1 LYS A 78 14.843 6.298 -2.866 1.00 60.41 H new ATOM 0 HZ2 LYS A 78 13.427 6.666 -2.004 1.00 60.41 H new ATOM 0 HZ3 LYS A 78 13.711 7.383 -3.517 1.00 60.41 H new ATOM 1334 N ASN A 79 10.691 10.307 3.654 1.00 31.22 N ATOM 1335 CA ASN A 79 11.023 10.906 4.967 1.00 62.20 C ATOM 1336 C ASN A 79 11.188 9.796 6.042 1.00 3.21 C ATOM 1337 O ASN A 79 10.237 9.434 6.745 1.00 41.20 O ATOM 1338 CB ASN A 79 9.927 11.940 5.370 1.00 65.15 C ATOM 1339 CG ASN A 79 10.203 12.659 6.699 1.00 41.42 C ATOM 1340 OD1 ASN A 79 11.343 12.832 7.103 1.00 51.31 O ATOM 1341 ND2 ASN A 79 9.159 13.093 7.378 1.00 2.14 N ATOM 0 H ASN A 79 9.688 10.259 3.474 1.00 31.22 H new ATOM 0 HA ASN A 79 11.974 11.434 4.893 1.00 62.20 H new ATOM 0 HB2 ASN A 79 9.836 12.684 4.579 1.00 65.15 H new ATOM 0 HB3 ASN A 79 8.967 11.428 5.438 1.00 65.15 H new ATOM 0 HD21 ASN A 79 9.294 13.585 8.261 1.00 2.14 H new ATOM 0 HD22 ASN A 79 8.217 12.936 7.020 1.00 2.14 H new ATOM 1348 N PHE A 80 12.409 9.249 6.140 1.00 30.23 N ATOM 1349 CA PHE A 80 12.742 8.150 7.085 1.00 23.11 C ATOM 1350 C PHE A 80 13.204 8.668 8.477 1.00 32.00 C ATOM 1351 O PHE A 80 13.594 7.867 9.340 1.00 20.30 O ATOM 1352 CB PHE A 80 13.839 7.240 6.468 1.00 40.44 C ATOM 1353 CG PHE A 80 13.449 6.603 5.133 1.00 2.32 C ATOM 1354 CD1 PHE A 80 12.482 5.600 5.080 1.00 61.44 C ATOM 1355 CD2 PHE A 80 14.043 7.003 3.933 1.00 24.54 C ATOM 1356 CE1 PHE A 80 12.127 5.017 3.877 1.00 44.01 C ATOM 1357 CE2 PHE A 80 13.685 6.418 2.732 1.00 34.12 C ATOM 1358 CZ PHE A 80 12.725 5.427 2.703 1.00 35.43 C ATOM 0 H PHE A 80 13.200 9.550 5.570 1.00 30.23 H new ATOM 0 HA PHE A 80 11.827 7.580 7.247 1.00 23.11 H new ATOM 0 HB2 PHE A 80 14.745 7.828 6.326 1.00 40.44 H new ATOM 0 HB3 PHE A 80 14.081 6.449 7.178 1.00 40.44 H new ATOM 0 HD1 PHE A 80 12.003 5.274 5.991 1.00 61.44 H new ATOM 0 HD2 PHE A 80 14.793 7.780 3.944 1.00 24.54 H new ATOM 0 HE1 PHE A 80 11.379 4.238 3.856 1.00 44.01 H new ATOM 0 HE2 PHE A 80 14.158 6.737 1.815 1.00 34.12 H new ATOM 0 HZ PHE A 80 12.443 4.974 1.764 1.00 35.43 H new ATOM 1368 N LYS A 81 13.153 10.002 8.686 1.00 41.31 N ATOM 1369 CA LYS A 81 13.608 10.648 9.948 1.00 32.31 C ATOM 1370 C LYS A 81 12.744 10.208 11.167 1.00 13.43 C ATOM 1371 O LYS A 81 13.254 9.641 12.141 1.00 42.44 O ATOM 1372 CB LYS A 81 13.543 12.193 9.823 1.00 2.23 C ATOM 1373 CG LYS A 81 14.224 12.797 8.578 1.00 13.41 C ATOM 1374 CD LYS A 81 14.034 14.334 8.513 1.00 2.23 C ATOM 1375 CE LYS A 81 14.540 14.956 7.198 1.00 2.44 C ATOM 1376 NZ LYS A 81 14.383 16.432 7.194 1.00 13.12 N ATOM 0 H LYS A 81 12.799 10.662 7.993 1.00 41.31 H new ATOM 0 HA LYS A 81 14.637 10.329 10.114 1.00 32.31 H new ATOM 0 HB2 LYS A 81 12.496 12.494 9.823 1.00 2.23 H new ATOM 0 HB3 LYS A 81 14.000 12.630 10.711 1.00 2.23 H new ATOM 0 HG2 LYS A 81 15.288 12.562 8.595 1.00 13.41 H new ATOM 0 HG3 LYS A 81 13.811 12.340 7.679 1.00 13.41 H new ATOM 0 HD2 LYS A 81 12.976 14.568 8.634 1.00 2.23 H new ATOM 0 HD3 LYS A 81 14.560 14.794 9.350 1.00 2.23 H new ATOM 0 HE2 LYS A 81 15.590 14.701 7.055 1.00 2.44 H new ATOM 0 HE3 LYS A 81 13.991 14.529 6.358 1.00 2.44 H new ATOM 0 HZ1 LYS A 81 14.734 16.816 6.293 1.00 13.12 H new ATOM 0 HZ2 LYS A 81 13.378 16.674 7.305 1.00 13.12 H new ATOM 0 HZ3 LYS A 81 14.927 16.841 7.980 1.00 13.12 H new ATOM 1390 N THR A 82 11.428 10.495 11.088 1.00 74.22 N ATOM 1391 CA THR A 82 10.441 10.172 12.159 1.00 10.54 C ATOM 1392 C THR A 82 9.988 8.691 12.099 1.00 12.34 C ATOM 1393 O THR A 82 9.814 8.040 13.136 1.00 74.21 O ATOM 1394 CB THR A 82 9.187 11.120 12.084 1.00 22.30 C ATOM 1395 OG1 THR A 82 8.198 10.738 13.061 1.00 65.20 O ATOM 1396 CG2 THR A 82 8.559 11.149 10.672 1.00 11.43 C ATOM 0 H THR A 82 11.011 10.958 10.281 1.00 74.22 H new ATOM 0 HA THR A 82 10.947 10.334 13.111 1.00 10.54 H new ATOM 0 HB THR A 82 9.538 12.128 12.307 1.00 22.30 H new ATOM 0 HG1 THR A 82 7.427 11.340 12.999 1.00 65.20 H new ATOM 0 HG21 THR A 82 7.697 11.817 10.671 1.00 11.43 H new ATOM 0 HG22 THR A 82 9.296 11.507 9.953 1.00 11.43 H new ATOM 0 HG23 THR A 82 8.240 10.144 10.395 1.00 11.43 H new ATOM 1404 N SER A 83 9.822 8.170 10.872 1.00 32.53 N ATOM 1405 CA SER A 83 9.392 6.773 10.620 1.00 22.12 C ATOM 1406 C SER A 83 10.524 5.984 9.920 1.00 14.21 C ATOM 1407 O SER A 83 10.690 6.087 8.701 1.00 63.33 O ATOM 1408 CB SER A 83 8.093 6.755 9.774 1.00 24.40 C ATOM 1409 OG SER A 83 6.995 7.263 10.515 1.00 72.34 O ATOM 0 H SER A 83 9.982 8.704 10.018 1.00 32.53 H new ATOM 0 HA SER A 83 9.181 6.289 11.574 1.00 22.12 H new ATOM 0 HB2 SER A 83 8.234 7.351 8.872 1.00 24.40 H new ATOM 0 HB3 SER A 83 7.879 5.736 9.452 1.00 24.40 H new ATOM 0 HG SER A 83 6.663 6.570 11.124 1.00 72.34 H new ATOM 1415 N PRO A 84 11.358 5.211 10.698 1.00 54.52 N ATOM 1416 CA PRO A 84 12.477 4.411 10.134 1.00 1.12 C ATOM 1417 C PRO A 84 11.975 3.201 9.305 1.00 54.32 C ATOM 1418 O PRO A 84 10.909 2.641 9.587 1.00 54.33 O ATOM 1419 CB PRO A 84 13.279 3.950 11.393 1.00 4.35 C ATOM 1420 CG PRO A 84 12.723 4.758 12.534 1.00 21.34 C ATOM 1421 CD PRO A 84 11.284 5.044 12.171 1.00 53.44 C ATOM 0 HA PRO A 84 13.082 4.988 9.435 1.00 1.12 H new ATOM 0 HB2 PRO A 84 13.154 2.882 11.570 1.00 4.35 H new ATOM 0 HB3 PRO A 84 14.347 4.130 11.267 1.00 4.35 H new ATOM 0 HG2 PRO A 84 12.788 4.207 13.472 1.00 21.34 H new ATOM 0 HG3 PRO A 84 13.284 5.683 12.668 1.00 21.34 H new ATOM 0 HD2 PRO A 84 10.622 4.226 12.455 1.00 53.44 H new ATOM 0 HD3 PRO A 84 10.911 5.942 12.664 1.00 53.44 H new ATOM 1429 N LEU A 85 12.759 2.804 8.291 1.00 64.34 N ATOM 1430 CA LEU A 85 12.395 1.716 7.368 1.00 31.45 C ATOM 1431 C LEU A 85 12.744 0.314 7.959 1.00 13.41 C ATOM 1432 O LEU A 85 13.904 0.075 8.328 1.00 13.30 O ATOM 1433 CB LEU A 85 13.123 1.917 6.011 1.00 42.22 C ATOM 1434 CG LEU A 85 12.581 1.051 4.838 1.00 25.31 C ATOM 1435 CD1 LEU A 85 11.119 1.437 4.510 1.00 70.24 C ATOM 1436 CD2 LEU A 85 13.484 1.152 3.592 1.00 53.04 C ATOM 0 H LEU A 85 13.664 3.228 8.087 1.00 64.34 H new ATOM 0 HA LEU A 85 11.316 1.750 7.217 1.00 31.45 H new ATOM 0 HB2 LEU A 85 13.051 2.968 5.730 1.00 42.22 H new ATOM 0 HB3 LEU A 85 14.181 1.695 6.148 1.00 42.22 H new ATOM 0 HG LEU A 85 12.594 0.008 5.156 1.00 25.31 H new ATOM 0 HD11 LEU A 85 10.756 0.821 3.687 1.00 70.24 H new ATOM 0 HD12 LEU A 85 10.494 1.274 5.388 1.00 70.24 H new ATOM 0 HD13 LEU A 85 11.076 2.488 4.223 1.00 70.24 H new ATOM 0 HD21 LEU A 85 13.073 0.534 2.794 1.00 53.04 H new ATOM 0 HD22 LEU A 85 13.531 2.189 3.260 1.00 53.04 H new ATOM 0 HD23 LEU A 85 14.487 0.805 3.840 1.00 53.04 H new ATOM 1448 N PRO A 86 11.743 -0.622 8.076 1.00 21.45 N ATOM 1449 CA PRO A 86 11.988 -2.049 8.418 1.00 14.23 C ATOM 1450 C PRO A 86 12.743 -2.816 7.298 1.00 65.42 C ATOM 1451 O PRO A 86 12.700 -2.432 6.118 1.00 3.14 O ATOM 1452 CB PRO A 86 10.555 -2.636 8.630 1.00 32.25 C ATOM 1453 CG PRO A 86 9.683 -1.434 8.817 1.00 74.53 C ATOM 1454 CD PRO A 86 10.297 -0.367 7.939 1.00 3.32 C ATOM 0 HA PRO A 86 12.628 -2.146 9.295 1.00 14.23 H new ATOM 0 HB2 PRO A 86 10.237 -3.228 7.771 1.00 32.25 H new ATOM 0 HB3 PRO A 86 10.519 -3.292 9.500 1.00 32.25 H new ATOM 0 HG2 PRO A 86 8.654 -1.643 8.524 1.00 74.53 H new ATOM 0 HG3 PRO A 86 9.660 -1.121 9.861 1.00 74.53 H new ATOM 0 HD2 PRO A 86 9.967 -0.456 6.904 1.00 3.32 H new ATOM 0 HD3 PRO A 86 10.030 0.635 8.274 1.00 3.32 H new ATOM 1462 N ASP A 87 13.403 -3.922 7.693 1.00 35.35 N ATOM 1463 CA ASP A 87 14.253 -4.751 6.797 1.00 41.21 C ATOM 1464 C ASP A 87 13.451 -5.396 5.635 1.00 74.21 C ATOM 1465 O ASP A 87 13.965 -5.531 4.520 1.00 41.10 O ATOM 1466 CB ASP A 87 14.963 -5.847 7.628 1.00 14.42 C ATOM 1467 CG ASP A 87 15.860 -5.261 8.729 1.00 42.54 C ATOM 1468 OD1 ASP A 87 15.340 -4.930 9.818 1.00 3.33 O ATOM 1469 OD2 ASP A 87 17.079 -5.102 8.501 1.00 63.14 O ATOM 0 H ASP A 87 13.365 -4.273 8.650 1.00 35.35 H new ATOM 0 HA ASP A 87 14.989 -4.089 6.340 1.00 41.21 H new ATOM 0 HB2 ASP A 87 14.215 -6.497 8.081 1.00 14.42 H new ATOM 0 HB3 ASP A 87 15.565 -6.468 6.965 1.00 14.42 H new ATOM 1474 N LYS A 88 12.196 -5.795 5.925 1.00 24.02 N ATOM 1475 CA LYS A 88 11.255 -6.356 4.914 1.00 25.24 C ATOM 1476 C LYS A 88 10.954 -5.362 3.756 1.00 54.34 C ATOM 1477 O LYS A 88 10.638 -5.784 2.639 1.00 1.51 O ATOM 1478 CB LYS A 88 9.937 -6.789 5.611 1.00 63.24 C ATOM 1479 CG LYS A 88 9.173 -5.640 6.312 1.00 11.32 C ATOM 1480 CD LYS A 88 7.920 -6.127 7.075 1.00 55.11 C ATOM 1481 CE LYS A 88 7.220 -4.983 7.823 1.00 15.24 C ATOM 1482 NZ LYS A 88 6.046 -5.444 8.597 1.00 54.10 N ATOM 0 H LYS A 88 11.799 -5.741 6.863 1.00 24.02 H new ATOM 0 HA LYS A 88 11.739 -7.223 4.464 1.00 25.24 H new ATOM 0 HB2 LYS A 88 9.281 -7.244 4.869 1.00 63.24 H new ATOM 0 HB3 LYS A 88 10.167 -7.558 6.348 1.00 63.24 H new ATOM 0 HG2 LYS A 88 9.843 -5.137 7.009 1.00 11.32 H new ATOM 0 HG3 LYS A 88 8.875 -4.902 5.568 1.00 11.32 H new ATOM 0 HD2 LYS A 88 7.222 -6.581 6.372 1.00 55.11 H new ATOM 0 HD3 LYS A 88 8.207 -6.902 7.785 1.00 55.11 H new ATOM 0 HE2 LYS A 88 7.931 -4.506 8.498 1.00 15.24 H new ATOM 0 HE3 LYS A 88 6.903 -4.225 7.106 1.00 15.24 H new ATOM 0 HZ1 LYS A 88 5.227 -4.842 8.378 1.00 54.10 H new ATOM 0 HZ2 LYS A 88 5.829 -6.429 8.344 1.00 54.10 H new ATOM 0 HZ3 LYS A 88 6.256 -5.386 9.614 1.00 54.10 H new ATOM 1496 N TRP A 89 11.052 -4.046 4.030 1.00 14.13 N ATOM 1497 CA TRP A 89 10.809 -2.994 3.011 1.00 23.25 C ATOM 1498 C TRP A 89 12.121 -2.504 2.358 1.00 52.03 C ATOM 1499 O TRP A 89 12.076 -1.835 1.320 1.00 74.01 O ATOM 1500 CB TRP A 89 10.024 -1.812 3.623 1.00 3.30 C ATOM 1501 CG TRP A 89 8.658 -2.189 4.159 1.00 61.53 C ATOM 1502 CD1 TRP A 89 8.193 -2.008 5.429 1.00 34.11 C ATOM 1503 CD2 TRP A 89 7.589 -2.824 3.435 1.00 70.43 C ATOM 1504 NE1 TRP A 89 6.916 -2.476 5.541 1.00 25.21 N ATOM 1505 CE2 TRP A 89 6.521 -2.988 4.335 1.00 5.41 C ATOM 1506 CE3 TRP A 89 7.430 -3.267 2.115 1.00 33.23 C ATOM 1507 CZ2 TRP A 89 5.318 -3.581 3.960 1.00 62.13 C ATOM 1508 CZ3 TRP A 89 6.238 -3.853 1.746 1.00 30.05 C ATOM 1509 CH2 TRP A 89 5.194 -4.005 2.663 1.00 71.32 C ATOM 0 H TRP A 89 11.298 -3.681 4.950 1.00 14.13 H new ATOM 0 HA TRP A 89 10.205 -3.441 2.221 1.00 23.25 H new ATOM 0 HB2 TRP A 89 10.613 -1.378 4.431 1.00 3.30 H new ATOM 0 HB3 TRP A 89 9.904 -1.038 2.865 1.00 3.30 H new ATOM 0 HD1 TRP A 89 8.756 -1.558 6.233 1.00 34.11 H new ATOM 0 HE1 TRP A 89 6.347 -2.449 6.387 1.00 25.21 H new ATOM 0 HE3 TRP A 89 8.229 -3.151 1.398 1.00 33.23 H new ATOM 0 HZ2 TRP A 89 4.511 -3.702 4.667 1.00 62.13 H new ATOM 0 HZ3 TRP A 89 6.109 -4.200 0.732 1.00 30.05 H new ATOM 0 HH2 TRP A 89 4.271 -4.466 2.343 1.00 71.32 H new ATOM 1520 N ALA A 90 13.281 -2.835 2.967 1.00 55.12 N ATOM 1521 CA ALA A 90 14.612 -2.509 2.395 1.00 12.34 C ATOM 1522 C ALA A 90 14.784 -3.148 0.986 1.00 73.42 C ATOM 1523 O ALA A 90 14.956 -4.373 0.869 1.00 2.23 O ATOM 1524 CB ALA A 90 15.727 -2.962 3.359 1.00 21.02 C ATOM 0 H ALA A 90 13.325 -3.330 3.858 1.00 55.12 H new ATOM 0 HA ALA A 90 14.685 -1.428 2.272 1.00 12.34 H new ATOM 0 HB1 ALA A 90 16.699 -2.719 2.931 1.00 21.02 H new ATOM 0 HB2 ALA A 90 15.613 -2.449 4.314 1.00 21.02 H new ATOM 0 HB3 ALA A 90 15.658 -4.039 3.515 1.00 21.02 H new ATOM 1530 N ASN A 91 14.642 -2.297 -0.065 1.00 25.44 N ATOM 1531 CA ASN A 91 14.755 -2.685 -1.504 1.00 75.45 C ATOM 1532 C ASN A 91 13.586 -3.599 -1.989 1.00 42.41 C ATOM 1533 O ASN A 91 13.687 -4.250 -3.041 1.00 21.44 O ATOM 1534 CB ASN A 91 16.146 -3.325 -1.814 1.00 54.20 C ATOM 1535 CG ASN A 91 17.310 -2.373 -1.505 1.00 13.12 C ATOM 1536 OD1 ASN A 91 17.191 -1.157 -1.647 1.00 71.12 O ATOM 1537 ND2 ASN A 91 18.437 -2.906 -1.082 1.00 15.41 N ATOM 0 H ASN A 91 14.442 -1.305 0.062 1.00 25.44 H new ATOM 0 HA ASN A 91 14.672 -1.760 -2.075 1.00 75.45 H new ATOM 0 HB2 ASN A 91 16.261 -4.238 -1.229 1.00 54.20 H new ATOM 0 HB3 ASN A 91 16.185 -3.613 -2.865 1.00 54.20 H new ATOM 0 HD21 ASN A 91 19.234 -2.308 -0.865 1.00 15.41 H new ATOM 0 HD22 ASN A 91 18.513 -3.917 -0.972 1.00 15.41 H new ATOM 1544 N SER A 92 12.479 -3.622 -1.218 1.00 20.14 N ATOM 1545 CA SER A 92 11.222 -4.323 -1.613 1.00 35.51 C ATOM 1546 C SER A 92 10.571 -3.641 -2.833 1.00 51.11 C ATOM 1547 O SER A 92 10.503 -2.405 -2.878 1.00 12.35 O ATOM 1548 CB SER A 92 10.215 -4.338 -0.436 1.00 12.31 C ATOM 1549 OG SER A 92 8.950 -4.870 -0.818 1.00 52.41 O ATOM 0 H SER A 92 12.423 -3.161 -0.310 1.00 20.14 H new ATOM 0 HA SER A 92 11.483 -5.348 -1.878 1.00 35.51 H new ATOM 0 HB2 SER A 92 10.624 -4.930 0.383 1.00 12.31 H new ATOM 0 HB3 SER A 92 10.082 -3.323 -0.060 1.00 12.31 H new ATOM 0 HG SER A 92 8.800 -5.721 -0.356 1.00 52.41 H new ATOM 1555 N LYS A 93 10.075 -4.455 -3.802 1.00 62.21 N ATOM 1556 CA LYS A 93 9.438 -3.942 -5.047 1.00 2.30 C ATOM 1557 C LYS A 93 8.274 -2.979 -4.724 1.00 41.45 C ATOM 1558 O LYS A 93 8.219 -1.874 -5.255 1.00 52.33 O ATOM 1559 CB LYS A 93 8.888 -5.102 -5.931 1.00 44.51 C ATOM 1560 CG LYS A 93 8.220 -4.620 -7.250 1.00 75.12 C ATOM 1561 CD LYS A 93 7.297 -5.667 -7.904 1.00 33.14 C ATOM 1562 CE LYS A 93 6.601 -5.111 -9.162 1.00 73.33 C ATOM 1563 NZ LYS A 93 7.559 -4.757 -10.243 1.00 65.25 N ATOM 0 H LYS A 93 10.104 -5.473 -3.745 1.00 62.21 H new ATOM 0 HA LYS A 93 10.216 -3.409 -5.594 1.00 2.30 H new ATOM 0 HB2 LYS A 93 9.706 -5.780 -6.175 1.00 44.51 H new ATOM 0 HB3 LYS A 93 8.161 -5.674 -5.354 1.00 44.51 H new ATOM 0 HG2 LYS A 93 7.642 -3.719 -7.044 1.00 75.12 H new ATOM 0 HG3 LYS A 93 8.999 -4.344 -7.960 1.00 75.12 H new ATOM 0 HD2 LYS A 93 7.879 -6.549 -8.171 1.00 33.14 H new ATOM 0 HD3 LYS A 93 6.544 -5.988 -7.184 1.00 33.14 H new ATOM 0 HE2 LYS A 93 5.894 -5.851 -9.537 1.00 73.33 H new ATOM 0 HE3 LYS A 93 6.023 -4.227 -8.891 1.00 73.33 H new ATOM 0 HZ1 LYS A 93 7.033 -4.453 -11.087 1.00 65.25 H new ATOM 0 HZ2 LYS A 93 8.175 -3.983 -9.921 1.00 65.25 H new ATOM 0 HZ3 LYS A 93 8.140 -5.587 -10.477 1.00 65.25 H new ATOM 1577 N LEU A 94 7.369 -3.423 -3.829 1.00 72.14 N ATOM 1578 CA LEU A 94 6.151 -2.666 -3.453 1.00 5.31 C ATOM 1579 C LEU A 94 6.481 -1.253 -2.915 1.00 2.32 C ATOM 1580 O LEU A 94 5.800 -0.278 -3.255 1.00 25.04 O ATOM 1581 CB LEU A 94 5.353 -3.436 -2.377 1.00 43.53 C ATOM 1582 CG LEU A 94 3.974 -2.805 -1.989 1.00 31.15 C ATOM 1583 CD1 LEU A 94 2.926 -2.989 -3.109 1.00 62.21 C ATOM 1584 CD2 LEU A 94 3.469 -3.348 -0.643 1.00 24.33 C ATOM 0 H LEU A 94 7.459 -4.316 -3.345 1.00 72.14 H new ATOM 0 HA LEU A 94 5.556 -2.556 -4.360 1.00 5.31 H new ATOM 0 HB2 LEU A 94 5.182 -4.452 -2.733 1.00 43.53 H new ATOM 0 HB3 LEU A 94 5.965 -3.511 -1.478 1.00 43.53 H new ATOM 0 HG LEU A 94 4.128 -1.733 -1.870 1.00 31.15 H new ATOM 0 HD11 LEU A 94 1.982 -2.538 -2.802 1.00 62.21 H new ATOM 0 HD12 LEU A 94 3.279 -2.507 -4.021 1.00 62.21 H new ATOM 0 HD13 LEU A 94 2.776 -4.052 -3.296 1.00 62.21 H new ATOM 0 HD21 LEU A 94 2.510 -2.890 -0.403 1.00 24.33 H new ATOM 0 HD22 LEU A 94 3.348 -4.429 -0.709 1.00 24.33 H new ATOM 0 HD23 LEU A 94 4.190 -3.111 0.139 1.00 24.33 H new ATOM 1596 N LEU A 95 7.528 -1.166 -2.067 1.00 62.41 N ATOM 1597 CA LEU A 95 7.984 0.118 -1.497 1.00 2.13 C ATOM 1598 C LEU A 95 8.494 1.073 -2.603 1.00 3.44 C ATOM 1599 O LEU A 95 8.191 2.266 -2.590 1.00 25.42 O ATOM 1600 CB LEU A 95 9.104 -0.091 -0.450 1.00 51.54 C ATOM 1601 CG LEU A 95 9.570 1.227 0.256 1.00 65.23 C ATOM 1602 CD1 LEU A 95 8.495 1.758 1.228 1.00 22.15 C ATOM 1603 CD2 LEU A 95 10.936 1.062 0.939 1.00 31.21 C ATOM 0 H LEU A 95 8.074 -1.972 -1.762 1.00 62.41 H new ATOM 0 HA LEU A 95 7.121 0.567 -1.006 1.00 2.13 H new ATOM 0 HB2 LEU A 95 8.753 -0.792 0.307 1.00 51.54 H new ATOM 0 HB3 LEU A 95 9.962 -0.552 -0.938 1.00 51.54 H new ATOM 0 HG LEU A 95 9.701 1.981 -0.521 1.00 65.23 H new ATOM 0 HD11 LEU A 95 8.852 2.673 1.700 1.00 22.15 H new ATOM 0 HD12 LEU A 95 7.578 1.967 0.677 1.00 22.15 H new ATOM 0 HD13 LEU A 95 8.295 1.009 1.994 1.00 22.15 H new ATOM 0 HD21 LEU A 95 11.220 2.000 1.416 1.00 31.21 H new ATOM 0 HD22 LEU A 95 10.874 0.277 1.692 1.00 31.21 H new ATOM 0 HD23 LEU A 95 11.685 0.792 0.194 1.00 31.21 H new ATOM 1615 N LYS A 96 9.280 0.519 -3.546 1.00 15.44 N ATOM 1616 CA LYS A 96 9.802 1.270 -4.712 1.00 33.13 C ATOM 1617 C LYS A 96 8.645 1.828 -5.570 1.00 2.23 C ATOM 1618 O LYS A 96 8.636 3.002 -5.913 1.00 55.32 O ATOM 1619 CB LYS A 96 10.723 0.357 -5.556 1.00 1.04 C ATOM 1620 CG LYS A 96 11.953 -0.169 -4.786 1.00 23.02 C ATOM 1621 CD LYS A 96 12.832 -1.108 -5.635 1.00 30.43 C ATOM 1622 CE LYS A 96 13.472 -0.407 -6.853 1.00 71.30 C ATOM 1623 NZ LYS A 96 14.311 -1.333 -7.655 1.00 61.43 N ATOM 0 H LYS A 96 9.572 -0.458 -3.525 1.00 15.44 H new ATOM 0 HA LYS A 96 10.385 2.117 -4.350 1.00 33.13 H new ATOM 0 HB2 LYS A 96 10.143 -0.491 -5.920 1.00 1.04 H new ATOM 0 HB3 LYS A 96 11.063 0.910 -6.432 1.00 1.04 H new ATOM 0 HG2 LYS A 96 12.553 0.676 -4.448 1.00 23.02 H new ATOM 0 HG3 LYS A 96 11.618 -0.699 -3.894 1.00 23.02 H new ATOM 0 HD2 LYS A 96 13.621 -1.523 -5.007 1.00 30.43 H new ATOM 0 HD3 LYS A 96 12.227 -1.946 -5.983 1.00 30.43 H new ATOM 0 HE2 LYS A 96 12.687 0.009 -7.485 1.00 71.30 H new ATOM 0 HE3 LYS A 96 14.082 0.429 -6.510 1.00 71.30 H new ATOM 0 HZ1 LYS A 96 14.720 -0.820 -8.462 1.00 61.43 H new ATOM 0 HZ2 LYS A 96 15.076 -1.711 -7.061 1.00 61.43 H new ATOM 0 HZ3 LYS A 96 13.725 -2.118 -8.005 1.00 61.43 H new ATOM 1637 N GLN A 97 7.647 0.968 -5.841 1.00 2.22 N ATOM 1638 CA GLN A 97 6.420 1.327 -6.591 1.00 1.11 C ATOM 1639 C GLN A 97 5.614 2.439 -5.869 1.00 33.14 C ATOM 1640 O GLN A 97 5.040 3.322 -6.513 1.00 0.14 O ATOM 1641 CB GLN A 97 5.535 0.061 -6.774 1.00 62.15 C ATOM 1642 CG GLN A 97 6.180 -1.085 -7.584 1.00 43.14 C ATOM 1643 CD GLN A 97 6.501 -0.707 -9.033 1.00 21.23 C ATOM 1644 OE1 GLN A 97 7.579 -0.205 -9.338 1.00 40.54 O ATOM 1645 NE2 GLN A 97 5.582 -0.970 -9.938 1.00 50.14 N ATOM 0 H GLN A 97 7.666 -0.008 -5.544 1.00 2.22 H new ATOM 0 HA GLN A 97 6.717 1.714 -7.565 1.00 1.11 H new ATOM 0 HB2 GLN A 97 5.266 -0.320 -5.789 1.00 62.15 H new ATOM 0 HB3 GLN A 97 4.608 0.354 -7.266 1.00 62.15 H new ATOM 0 HG2 GLN A 97 7.098 -1.398 -7.087 1.00 43.14 H new ATOM 0 HG3 GLN A 97 5.508 -1.943 -7.582 1.00 43.14 H new ATOM 0 HE21 GLN A 97 4.695 -1.387 -9.657 1.00 50.14 H new ATOM 0 HE22 GLN A 97 5.757 -0.756 -10.920 1.00 50.14 H new ATOM 1654 N LEU A 98 5.586 2.363 -4.523 1.00 73.42 N ATOM 1655 CA LEU A 98 4.886 3.342 -3.656 1.00 13.44 C ATOM 1656 C LEU A 98 5.594 4.724 -3.682 1.00 51.42 C ATOM 1657 O LEU A 98 4.933 5.761 -3.775 1.00 13.40 O ATOM 1658 CB LEU A 98 4.795 2.779 -2.205 1.00 4.34 C ATOM 1659 CG LEU A 98 3.934 3.593 -1.184 1.00 62.02 C ATOM 1660 CD1 LEU A 98 2.454 3.685 -1.624 1.00 13.33 C ATOM 1661 CD2 LEU A 98 4.060 3.007 0.245 1.00 63.40 C ATOM 0 H LEU A 98 6.049 1.619 -4.001 1.00 73.42 H new ATOM 0 HA LEU A 98 3.877 3.494 -4.038 1.00 13.44 H new ATOM 0 HB2 LEU A 98 4.392 1.767 -2.258 1.00 4.34 H new ATOM 0 HB3 LEU A 98 5.807 2.699 -1.808 1.00 4.34 H new ATOM 0 HG LEU A 98 4.328 4.609 -1.166 1.00 62.02 H new ATOM 0 HD11 LEU A 98 1.891 4.258 -0.888 1.00 13.33 H new ATOM 0 HD12 LEU A 98 2.393 4.180 -2.593 1.00 13.33 H new ATOM 0 HD13 LEU A 98 2.034 2.682 -1.701 1.00 13.33 H new ATOM 0 HD21 LEU A 98 3.451 3.593 0.933 1.00 63.40 H new ATOM 0 HD22 LEU A 98 3.716 1.973 0.246 1.00 63.40 H new ATOM 0 HD23 LEU A 98 5.102 3.043 0.562 1.00 63.40 H new ATOM 1673 N GLN A 99 6.942 4.713 -3.629 1.00 54.21 N ATOM 1674 CA GLN A 99 7.778 5.941 -3.690 1.00 73.01 C ATOM 1675 C GLN A 99 7.664 6.639 -5.065 1.00 32.11 C ATOM 1676 O GLN A 99 7.513 7.864 -5.133 1.00 20.20 O ATOM 1677 CB GLN A 99 9.260 5.605 -3.353 1.00 11.12 C ATOM 1678 CG GLN A 99 9.495 5.264 -1.865 1.00 61.34 C ATOM 1679 CD GLN A 99 10.959 4.988 -1.492 1.00 34.04 C ATOM 1680 OE1 GLN A 99 11.890 5.468 -2.131 1.00 35.12 O ATOM 1681 NE2 GLN A 99 11.172 4.262 -0.410 1.00 3.24 N ATOM 0 H GLN A 99 7.486 3.855 -3.543 1.00 54.21 H new ATOM 0 HA GLN A 99 7.404 6.640 -2.942 1.00 73.01 H new ATOM 0 HB2 GLN A 99 9.581 4.762 -3.965 1.00 11.12 H new ATOM 0 HB3 GLN A 99 9.887 6.454 -3.626 1.00 11.12 H new ATOM 0 HG2 GLN A 99 9.129 6.090 -1.255 1.00 61.34 H new ATOM 0 HG3 GLN A 99 8.898 4.389 -1.608 1.00 61.34 H new ATOM 0 HE21 GLN A 99 10.383 3.872 0.106 1.00 3.24 H new ATOM 0 HE22 GLN A 99 12.125 4.091 -0.090 1.00 3.24 H new ATOM 1690 N GLU A 100 7.706 5.839 -6.147 1.00 63.44 N ATOM 1691 CA GLU A 100 7.508 6.334 -7.529 1.00 21.14 C ATOM 1692 C GLU A 100 6.085 6.912 -7.712 1.00 31.33 C ATOM 1693 O GLU A 100 5.900 7.921 -8.386 1.00 64.14 O ATOM 1694 CB GLU A 100 7.758 5.197 -8.560 1.00 61.50 C ATOM 1695 CG GLU A 100 9.177 4.584 -8.537 1.00 10.00 C ATOM 1696 CD GLU A 100 10.292 5.550 -8.981 1.00 11.42 C ATOM 1697 OE1 GLU A 100 10.589 5.605 -10.197 1.00 42.01 O ATOM 1698 OE2 GLU A 100 10.886 6.246 -8.126 1.00 52.25 O ATOM 0 H GLU A 100 7.877 4.835 -6.092 1.00 63.44 H new ATOM 0 HA GLU A 100 8.230 7.132 -7.704 1.00 21.14 H new ATOM 0 HB2 GLU A 100 7.034 4.402 -8.382 1.00 61.50 H new ATOM 0 HB3 GLU A 100 7.565 5.586 -9.560 1.00 61.50 H new ATOM 0 HG2 GLU A 100 9.394 4.237 -7.527 1.00 10.00 H new ATOM 0 HG3 GLU A 100 9.192 3.708 -9.185 1.00 10.00 H new ATOM 1705 N PHE A 101 5.081 6.274 -7.077 1.00 11.44 N ATOM 1706 CA PHE A 101 3.676 6.709 -7.188 1.00 44.14 C ATOM 1707 C PHE A 101 3.428 8.042 -6.442 1.00 64.22 C ATOM 1708 O PHE A 101 2.756 8.925 -6.966 1.00 0.22 O ATOM 1709 CB PHE A 101 2.728 5.607 -6.654 1.00 72.43 C ATOM 1710 CG PHE A 101 1.268 5.819 -7.035 1.00 75.54 C ATOM 1711 CD1 PHE A 101 0.890 5.820 -8.377 1.00 75.41 C ATOM 1712 CD2 PHE A 101 0.275 6.022 -6.074 1.00 74.11 C ATOM 1713 CE1 PHE A 101 -0.420 6.019 -8.744 1.00 13.33 C ATOM 1714 CE2 PHE A 101 -1.039 6.222 -6.450 1.00 73.43 C ATOM 1715 CZ PHE A 101 -1.385 6.215 -7.787 1.00 22.51 C ATOM 0 H PHE A 101 5.218 5.456 -6.483 1.00 11.44 H new ATOM 0 HA PHE A 101 3.465 6.879 -8.244 1.00 44.14 H new ATOM 0 HB2 PHE A 101 3.057 4.640 -7.035 1.00 72.43 H new ATOM 0 HB3 PHE A 101 2.809 5.565 -5.568 1.00 72.43 H new ATOM 0 HD1 PHE A 101 1.638 5.662 -9.140 1.00 75.41 H new ATOM 0 HD2 PHE A 101 0.537 6.023 -5.026 1.00 74.11 H new ATOM 0 HE1 PHE A 101 -0.691 6.021 -9.789 1.00 13.33 H new ATOM 0 HE2 PHE A 101 -1.797 6.384 -5.698 1.00 73.43 H new ATOM 0 HZ PHE A 101 -2.414 6.364 -8.080 1.00 22.51 H new ATOM 1725 N SER A 102 3.997 8.168 -5.226 1.00 34.23 N ATOM 1726 CA SER A 102 3.767 9.338 -4.330 1.00 15.20 C ATOM 1727 C SER A 102 4.256 10.671 -4.935 1.00 54.43 C ATOM 1728 O SER A 102 3.629 11.716 -4.734 1.00 52.54 O ATOM 1729 CB SER A 102 4.443 9.111 -2.968 1.00 2.02 C ATOM 1730 OG SER A 102 3.909 7.975 -2.333 1.00 73.50 O ATOM 0 H SER A 102 4.627 7.470 -4.832 1.00 34.23 H new ATOM 0 HA SER A 102 2.687 9.419 -4.203 1.00 15.20 H new ATOM 0 HB2 SER A 102 5.517 8.986 -3.105 1.00 2.02 H new ATOM 0 HB3 SER A 102 4.302 9.988 -2.336 1.00 2.02 H new ATOM 0 HG SER A 102 4.226 7.167 -2.788 1.00 73.50 H new ATOM 1736 N GLU A 103 5.394 10.636 -5.640 1.00 30.54 N ATOM 1737 CA GLU A 103 5.945 11.826 -6.335 1.00 71.02 C ATOM 1738 C GLU A 103 5.266 12.068 -7.711 1.00 72.01 C ATOM 1739 O GLU A 103 5.180 13.213 -8.171 1.00 74.55 O ATOM 1740 CB GLU A 103 7.483 11.693 -6.474 1.00 70.11 C ATOM 1741 CG GLU A 103 7.956 10.417 -7.192 1.00 71.32 C ATOM 1742 CD GLU A 103 9.484 10.277 -7.220 1.00 21.10 C ATOM 1743 OE1 GLU A 103 10.067 9.794 -6.221 1.00 55.53 O ATOM 1744 OE2 GLU A 103 10.112 10.670 -8.229 1.00 44.12 O ATOM 0 H GLU A 103 5.960 9.795 -5.750 1.00 30.54 H new ATOM 0 HA GLU A 103 5.725 12.703 -5.727 1.00 71.02 H new ATOM 0 HB2 GLU A 103 7.861 12.560 -7.016 1.00 70.11 H new ATOM 0 HB3 GLU A 103 7.928 11.720 -5.479 1.00 70.11 H new ATOM 0 HG2 GLU A 103 7.526 9.547 -6.696 1.00 71.32 H new ATOM 0 HG3 GLU A 103 7.578 10.420 -8.214 1.00 71.32 H new ATOM 1751 N ASN A 104 4.769 10.992 -8.355 1.00 41.21 N ATOM 1752 CA ASN A 104 4.114 11.066 -9.691 1.00 41.52 C ATOM 1753 C ASN A 104 2.570 10.820 -9.591 1.00 22.12 C ATOM 1754 O ASN A 104 1.966 10.209 -10.478 1.00 40.34 O ATOM 1755 CB ASN A 104 4.797 10.048 -10.659 1.00 14.31 C ATOM 1756 CG ASN A 104 6.285 10.366 -10.921 1.00 61.31 C ATOM 1757 OD1 ASN A 104 6.615 11.238 -11.711 1.00 43.32 O ATOM 1758 ND2 ASN A 104 7.192 9.639 -10.309 1.00 5.22 N ATOM 0 H ASN A 104 4.807 10.048 -7.971 1.00 41.21 H new ATOM 0 HA ASN A 104 4.241 12.072 -10.091 1.00 41.52 H new ATOM 0 HB2 ASN A 104 4.714 9.045 -10.240 1.00 14.31 H new ATOM 0 HB3 ASN A 104 4.260 10.042 -11.608 1.00 14.31 H new ATOM 0 HD21 ASN A 104 8.183 9.800 -10.491 1.00 5.22 H new ATOM 0 HD22 ASN A 104 6.906 8.914 -9.651 1.00 5.22 H new ATOM 1765 N LYS A 105 1.944 11.345 -8.510 1.00 60.54 N ATOM 1766 CA LYS A 105 0.473 11.232 -8.252 1.00 44.30 C ATOM 1767 C LYS A 105 -0.374 12.002 -9.300 1.00 72.23 C ATOM 1768 O LYS A 105 -1.183 11.416 -10.029 1.00 60.30 O ATOM 1769 CB LYS A 105 0.136 11.785 -6.825 1.00 34.41 C ATOM 1770 CG LYS A 105 0.650 10.931 -5.644 1.00 53.04 C ATOM 1771 CD LYS A 105 -0.192 9.655 -5.378 1.00 43.32 C ATOM 1772 CE LYS A 105 -1.515 9.957 -4.651 1.00 14.52 C ATOM 1773 NZ LYS A 105 -2.423 8.784 -4.612 1.00 23.41 N ATOM 0 H LYS A 105 2.440 11.863 -7.785 1.00 60.54 H new ATOM 0 HA LYS A 105 0.220 10.174 -8.324 1.00 44.30 H new ATOM 0 HB2 LYS A 105 0.554 12.788 -6.735 1.00 34.41 H new ATOM 0 HB3 LYS A 105 -0.946 11.881 -6.738 1.00 34.41 H new ATOM 0 HG2 LYS A 105 1.682 10.639 -5.841 1.00 53.04 H new ATOM 0 HG3 LYS A 105 0.659 11.543 -4.742 1.00 53.04 H new ATOM 0 HD2 LYS A 105 -0.407 9.163 -6.326 1.00 43.32 H new ATOM 0 HD3 LYS A 105 0.394 8.956 -4.782 1.00 43.32 H new ATOM 0 HE2 LYS A 105 -1.300 10.280 -3.632 1.00 14.52 H new ATOM 0 HE3 LYS A 105 -2.018 10.786 -5.149 1.00 14.52 H new ATOM 0 HZ1 LYS A 105 -3.152 8.933 -3.886 1.00 23.41 H new ATOM 0 HZ2 LYS A 105 -2.878 8.666 -5.540 1.00 23.41 H new ATOM 0 HZ3 LYS A 105 -1.876 7.929 -4.383 1.00 23.41 H new ATOM 1787 N GLU A 106 -0.177 13.331 -9.345 1.00 61.41 N ATOM 1788 CA GLU A 106 -1.059 14.273 -10.082 1.00 35.24 C ATOM 1789 C GLU A 106 -0.275 15.106 -11.131 1.00 75.23 C ATOM 1790 O GLU A 106 -0.738 16.170 -11.551 1.00 52.24 O ATOM 1791 CB GLU A 106 -1.750 15.210 -9.043 1.00 23.15 C ATOM 1792 CG GLU A 106 -2.604 14.474 -7.987 1.00 0.41 C ATOM 1793 CD GLU A 106 -3.049 15.377 -6.829 1.00 1.12 C ATOM 1794 OE1 GLU A 106 -2.257 15.568 -5.879 1.00 74.14 O ATOM 1795 OE2 GLU A 106 -4.181 15.904 -6.860 1.00 52.32 O ATOM 0 H GLU A 106 0.600 13.791 -8.871 1.00 61.41 H new ATOM 0 HA GLU A 106 -1.804 13.701 -10.634 1.00 35.24 H new ATOM 0 HB2 GLU A 106 -0.984 15.792 -8.531 1.00 23.15 H new ATOM 0 HB3 GLU A 106 -2.385 15.918 -9.576 1.00 23.15 H new ATOM 0 HG2 GLU A 106 -3.486 14.055 -8.471 1.00 0.41 H new ATOM 0 HG3 GLU A 106 -2.032 13.637 -7.587 1.00 0.41 H new ATOM 1802 N LYS A 107 0.887 14.579 -11.590 1.00 21.22 N ATOM 1803 CA LYS A 107 1.779 15.288 -12.557 1.00 42.14 C ATOM 1804 C LYS A 107 1.171 15.392 -13.982 1.00 71.42 C ATOM 1805 O LYS A 107 1.722 16.070 -14.857 1.00 21.34 O ATOM 1806 CB LYS A 107 3.162 14.598 -12.638 1.00 43.34 C ATOM 1807 CG LYS A 107 3.155 13.192 -13.290 1.00 35.42 C ATOM 1808 CD LYS A 107 4.581 12.718 -13.630 1.00 3.42 C ATOM 1809 CE LYS A 107 4.620 11.341 -14.318 1.00 24.31 C ATOM 1810 NZ LYS A 107 6.015 10.900 -14.584 1.00 60.42 N ATOM 0 H LYS A 107 1.234 13.662 -11.308 1.00 21.22 H new ATOM 0 HA LYS A 107 1.892 16.302 -12.173 1.00 42.14 H new ATOM 0 HB2 LYS A 107 3.839 15.240 -13.201 1.00 43.34 H new ATOM 0 HB3 LYS A 107 3.568 14.513 -11.630 1.00 43.34 H new ATOM 0 HG2 LYS A 107 2.685 12.479 -12.613 1.00 35.42 H new ATOM 0 HG3 LYS A 107 2.552 13.214 -14.198 1.00 35.42 H new ATOM 0 HD2 LYS A 107 5.055 13.454 -14.279 1.00 3.42 H new ATOM 0 HD3 LYS A 107 5.170 12.675 -12.714 1.00 3.42 H new ATOM 0 HE2 LYS A 107 4.119 10.605 -13.689 1.00 24.31 H new ATOM 0 HE3 LYS A 107 4.067 11.387 -15.256 1.00 24.31 H new ATOM 0 HZ1 LYS A 107 6.005 9.941 -14.986 1.00 60.42 H new ATOM 0 HZ2 LYS A 107 6.463 11.553 -15.258 1.00 60.42 H new ATOM 0 HZ3 LYS A 107 6.554 10.897 -13.694 1.00 60.42 H new ATOM 1824 N GLU A 108 0.052 14.697 -14.195 1.00 12.33 N ATOM 1825 CA GLU A 108 -0.674 14.690 -15.476 1.00 51.35 C ATOM 1826 C GLU A 108 -1.370 16.051 -15.742 1.00 21.13 C ATOM 1827 O GLU A 108 -1.721 16.786 -14.807 1.00 12.44 O ATOM 1828 CB GLU A 108 -1.729 13.554 -15.474 1.00 64.44 C ATOM 1829 CG GLU A 108 -2.864 13.736 -14.438 1.00 60.35 C ATOM 1830 CD GLU A 108 -3.932 12.639 -14.507 1.00 23.20 C ATOM 1831 OE1 GLU A 108 -4.722 12.626 -15.477 1.00 72.03 O ATOM 1832 OE2 GLU A 108 -3.980 11.772 -13.606 1.00 10.54 O ATOM 0 H GLU A 108 -0.384 14.116 -13.479 1.00 12.33 H new ATOM 0 HA GLU A 108 0.050 14.520 -16.273 1.00 51.35 H new ATOM 0 HB2 GLU A 108 -2.170 13.482 -16.468 1.00 64.44 H new ATOM 0 HB3 GLU A 108 -1.225 12.607 -15.280 1.00 64.44 H new ATOM 0 HG2 GLU A 108 -2.433 13.751 -13.437 1.00 60.35 H new ATOM 0 HG3 GLU A 108 -3.338 14.705 -14.596 1.00 60.35 H new ATOM 1839 N ILE A 109 -1.570 16.364 -17.027 1.00 72.22 N ATOM 1840 CA ILE A 109 -2.297 17.579 -17.473 1.00 63.21 C ATOM 1841 C ILE A 109 -3.731 17.218 -17.922 1.00 54.45 C ATOM 1842 O ILE A 109 -4.628 18.063 -17.937 1.00 2.53 O ATOM 1843 CB ILE A 109 -1.529 18.311 -18.639 1.00 65.32 C ATOM 1844 CG1 ILE A 109 -1.316 17.350 -19.862 1.00 63.22 C ATOM 1845 CG2 ILE A 109 -0.183 18.892 -18.127 1.00 33.11 C ATOM 1846 CD1 ILE A 109 -0.633 17.978 -21.071 1.00 4.15 C ATOM 0 H ILE A 109 -1.235 15.786 -17.797 1.00 72.22 H new ATOM 0 HA ILE A 109 -2.354 18.262 -16.625 1.00 63.21 H new ATOM 0 HB ILE A 109 -2.141 19.145 -18.984 1.00 65.32 H new ATOM 0 HG12 ILE A 109 -0.724 16.496 -19.533 1.00 63.22 H new ATOM 0 HG13 ILE A 109 -2.287 16.964 -20.173 1.00 63.22 H new ATOM 0 HG21 ILE A 109 0.332 19.393 -18.946 1.00 33.11 H new ATOM 0 HG22 ILE A 109 -0.376 19.608 -17.328 1.00 33.11 H new ATOM 0 HG23 ILE A 109 0.441 18.083 -17.747 1.00 33.11 H new ATOM 0 HD11 ILE A 109 -0.533 17.233 -21.860 1.00 4.15 H new ATOM 0 HD12 ILE A 109 -1.232 18.813 -21.434 1.00 4.15 H new ATOM 0 HD13 ILE A 109 0.355 18.338 -20.784 1.00 4.15 H new TER 1858 ILE A 109