USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 884 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 22 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 MET CE :methyl -146:sc= -0.349 (180deg=-2.51) USER MOD Set 2.1: A 21 THR OG1 : rot -150:sc= -0.0131 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0895) USER MOD Set 3.1: A 1 MET N :NH3+ -121:sc= 0.0926 (180deg=0) USER MOD Set 3.2: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0121 USER MOD Single : A 15 THR OG1 : rot -70:sc= 0.283 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0797 X(o=-0.08,f=-0.24) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0208 F(o=-0.66,f=-0.021) USER MOD Single : A 38 TYR OH : rot 130:sc= -1.56 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 21:sc= 0.21 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-5.91e-05 X(o=-5.9e-05,f=0) USER MOD Single : A 51 MET CE :methyl -108:sc= -0.667 (180deg=-5.5!) USER MOD Single : A 55 MET CE :methyl 175:sc= 0 (180deg=-0.0122) USER MOD Single : A 56 GLN : amide:sc=-0.00951 K(o=-0.0095,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0807 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.828 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 68 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.227 K(o=-0.23,f=-2) USER MOD Single : A 78 SER OG : rot 9:sc= 0.191 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 150:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.566 (180deg=-1.37) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS :FLIP no HD1:sc= -2.18 F(o=-3.6,f=-2.2) USER MOD Single : A 105 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.62) USER MOD Single : A 107 HIS : no HD1:sc= 0.021 K(o=0.021,f=-0.62) USER MOD Single : A 109 SER OG : rot 180:sc=-0.00606 USER MOD Single : A 111 SER OG : rot 180:sc=0.000785 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -161:sc= -0.172 (180deg=-0.711) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.913 -43.939 20.100 1.00 20.04 N ATOM 2 CA MET A 1 26.243 -43.205 19.033 1.00 44.01 C ATOM 3 C MET A 1 24.898 -43.840 18.698 1.00 54.12 C ATOM 4 O MET A 1 24.557 -44.904 19.214 1.00 30.25 O ATOM 5 CB MET A 1 27.125 -43.162 17.784 1.00 43.24 C ATOM 6 CG MET A 1 28.128 -42.020 17.787 1.00 43.41 C ATOM 7 SD MET A 1 27.343 -40.405 17.619 1.00 61.24 S ATOM 8 CE MET A 1 28.236 -39.464 18.853 1.00 2.03 C ATOM 0 H1 MET A 1 27.087 -43.302 20.903 1.00 20.04 H new ATOM 0 H2 MET A 1 26.311 -44.729 20.409 1.00 20.04 H new ATOM 0 H3 MET A 1 27.819 -44.310 19.750 1.00 20.04 H new ATOM 0 HA MET A 1 26.067 -42.187 19.381 1.00 44.01 H new ATOM 0 HB2 MET A 1 27.662 -44.106 17.696 1.00 43.24 H new ATOM 0 HB3 MET A 1 26.489 -43.074 16.903 1.00 43.24 H new ATOM 0 HG2 MET A 1 28.700 -42.047 18.714 1.00 43.41 H new ATOM 0 HG3 MET A 1 28.837 -42.162 16.971 1.00 43.41 H new ATOM 0 HE1 MET A 1 27.863 -38.440 18.870 1.00 2.03 H new ATOM 0 HE2 MET A 1 28.091 -39.919 19.833 1.00 2.03 H new ATOM 0 HE3 MET A 1 29.298 -39.459 18.609 1.00 2.03 H new ATOM 18 N ASP A 2 24.137 -43.180 17.831 1.00 31.42 N ATOM 19 CA ASP A 2 22.828 -43.681 17.428 1.00 51.35 C ATOM 20 C ASP A 2 22.935 -44.522 16.159 1.00 0.14 C ATOM 21 O ASP A 2 22.238 -45.525 16.006 1.00 24.42 O ATOM 22 CB ASP A 2 21.861 -42.517 17.203 1.00 72.35 C ATOM 23 CG ASP A 2 22.331 -41.577 16.110 1.00 13.23 C ATOM 24 OD1 ASP A 2 23.214 -40.738 16.388 1.00 33.31 O ATOM 25 OD2 ASP A 2 21.816 -41.680 14.977 1.00 0.23 O ATOM 0 H ASP A 2 24.404 -42.298 17.394 1.00 31.42 H new ATOM 0 HA ASP A 2 22.445 -44.313 18.230 1.00 51.35 H new ATOM 0 HB2 ASP A 2 20.878 -42.910 16.942 1.00 72.35 H new ATOM 0 HB3 ASP A 2 21.745 -41.960 18.133 1.00 72.35 H new ATOM 30 N LYS A 3 23.811 -44.105 15.252 1.00 64.53 N ATOM 31 CA LYS A 3 24.010 -44.819 13.996 1.00 64.02 C ATOM 32 C LYS A 3 22.694 -44.967 13.240 1.00 60.04 C ATOM 33 O LYS A 3 22.437 -45.998 12.616 1.00 11.30 O ATOM 34 CB LYS A 3 24.617 -46.199 14.260 1.00 11.01 C ATOM 35 CG LYS A 3 26.108 -46.163 14.545 1.00 64.40 C ATOM 36 CD LYS A 3 26.389 -45.969 16.026 1.00 52.34 C ATOM 37 CE LYS A 3 26.187 -47.259 16.806 1.00 40.25 C ATOM 38 NZ LYS A 3 26.902 -47.235 18.112 1.00 61.15 N ATOM 0 H LYS A 3 24.395 -43.276 15.363 1.00 64.53 H new ATOM 0 HA LYS A 3 24.698 -44.238 13.382 1.00 64.02 H new ATOM 0 HB2 LYS A 3 24.105 -46.656 15.107 1.00 11.01 H new ATOM 0 HB3 LYS A 3 24.436 -46.838 13.395 1.00 11.01 H new ATOM 0 HG2 LYS A 3 26.567 -47.092 14.205 1.00 64.40 H new ATOM 0 HG3 LYS A 3 26.568 -45.354 13.978 1.00 64.40 H new ATOM 0 HD2 LYS A 3 27.412 -45.618 16.160 1.00 52.34 H new ATOM 0 HD3 LYS A 3 25.732 -45.196 16.424 1.00 52.34 H new ATOM 0 HE2 LYS A 3 25.122 -47.417 16.978 1.00 40.25 H new ATOM 0 HE3 LYS A 3 26.542 -48.102 16.213 1.00 40.25 H new ATOM 0 HZ1 LYS A 3 26.740 -48.132 18.613 1.00 61.15 H new ATOM 0 HZ2 LYS A 3 27.921 -47.110 17.948 1.00 61.15 H new ATOM 0 HZ3 LYS A 3 26.545 -46.446 18.689 1.00 61.15 H new ATOM 52 N LEU A 4 21.864 -43.931 13.298 1.00 62.35 N ATOM 53 CA LEU A 4 20.574 -43.946 12.617 1.00 51.30 C ATOM 54 C LEU A 4 20.530 -42.896 11.511 1.00 14.24 C ATOM 55 O LEU A 4 21.092 -41.810 11.650 1.00 5.33 O ATOM 56 CB LEU A 4 19.444 -43.697 13.618 1.00 4.30 C ATOM 57 CG LEU A 4 18.028 -43.978 13.115 1.00 31.35 C ATOM 58 CD1 LEU A 4 17.842 -45.464 12.848 1.00 12.23 C ATOM 59 CD2 LEU A 4 16.997 -43.482 14.119 1.00 4.21 C ATOM 0 H LEU A 4 22.061 -43.071 13.809 1.00 62.35 H new ATOM 0 HA LEU A 4 20.441 -44.929 12.165 1.00 51.30 H new ATOM 0 HB2 LEU A 4 19.624 -44.313 14.499 1.00 4.30 H new ATOM 0 HB3 LEU A 4 19.494 -42.657 13.940 1.00 4.30 H new ATOM 0 HG LEU A 4 17.882 -43.440 12.178 1.00 31.35 H new ATOM 0 HD11 LEU A 4 16.828 -45.645 12.491 1.00 12.23 H new ATOM 0 HD12 LEU A 4 18.557 -45.790 12.093 1.00 12.23 H new ATOM 0 HD13 LEU A 4 18.007 -46.023 13.769 1.00 12.23 H new ATOM 0 HD21 LEU A 4 15.995 -43.690 13.744 1.00 4.21 H new ATOM 0 HD22 LEU A 4 17.142 -43.992 15.071 1.00 4.21 H new ATOM 0 HD23 LEU A 4 17.115 -42.408 14.261 1.00 4.21 H new ATOM 71 N ARG A 5 19.855 -43.227 10.415 1.00 43.40 N ATOM 72 CA ARG A 5 19.737 -42.312 9.286 1.00 70.12 C ATOM 73 C ARG A 5 18.273 -42.095 8.913 1.00 3.44 C ATOM 74 O ARG A 5 17.385 -42.784 9.416 1.00 54.21 O ATOM 75 CB ARG A 5 20.506 -42.855 8.080 1.00 51.22 C ATOM 76 CG ARG A 5 22.003 -42.971 8.314 1.00 22.33 C ATOM 77 CD ARG A 5 22.687 -43.724 7.184 1.00 42.02 C ATOM 78 NE ARG A 5 22.564 -45.171 7.337 1.00 62.13 N ATOM 79 CZ ARG A 5 22.953 -46.043 6.414 1.00 65.45 C ATOM 80 NH1 ARG A 5 23.488 -45.617 5.278 1.00 62.24 N ATOM 81 NH2 ARG A 5 22.809 -47.345 6.626 1.00 33.10 N ATOM 0 H ARG A 5 19.382 -44.121 10.285 1.00 43.40 H new ATOM 0 HA ARG A 5 20.165 -41.354 9.581 1.00 70.12 H new ATOM 0 HB2 ARG A 5 20.110 -43.837 7.820 1.00 51.22 H new ATOM 0 HB3 ARG A 5 20.330 -42.203 7.224 1.00 51.22 H new ATOM 0 HG2 ARG A 5 22.437 -41.975 8.404 1.00 22.33 H new ATOM 0 HG3 ARG A 5 22.186 -43.484 9.258 1.00 22.33 H new ATOM 0 HD2 ARG A 5 22.252 -43.422 6.232 1.00 42.02 H new ATOM 0 HD3 ARG A 5 23.742 -43.451 7.153 1.00 42.02 H new ATOM 0 HE ARG A 5 22.157 -45.532 8.200 1.00 62.13 H new ATOM 0 HH11 ARG A 5 23.602 -44.617 5.111 1.00 62.24 H new ATOM 0 HH12 ARG A 5 23.786 -46.289 4.571 1.00 62.24 H new ATOM 0 HH21 ARG A 5 22.399 -47.677 7.499 1.00 33.10 H new ATOM 0 HH22 ARG A 5 23.108 -48.013 5.916 1.00 33.10 H new ATOM 95 N LEU A 6 18.030 -41.132 8.031 1.00 73.34 N ATOM 96 CA LEU A 6 16.674 -40.823 7.591 1.00 74.14 C ATOM 97 C LEU A 6 16.470 -41.222 6.133 1.00 71.05 C ATOM 98 O LEU A 6 16.996 -40.581 5.223 1.00 64.24 O ATOM 99 CB LEU A 6 16.387 -39.331 7.768 1.00 75.11 C ATOM 100 CG LEU A 6 14.926 -38.954 8.018 1.00 1.35 C ATOM 101 CD1 LEU A 6 14.053 -39.399 6.856 1.00 53.11 C ATOM 102 CD2 LEU A 6 14.434 -39.564 9.322 1.00 33.34 C ATOM 0 H LEU A 6 18.754 -40.552 7.607 1.00 73.34 H new ATOM 0 HA LEU A 6 15.980 -41.396 8.206 1.00 74.14 H new ATOM 0 HB2 LEU A 6 16.984 -38.963 8.602 1.00 75.11 H new ATOM 0 HB3 LEU A 6 16.729 -38.807 6.875 1.00 75.11 H new ATOM 0 HG LEU A 6 14.860 -37.869 8.100 1.00 1.35 H new ATOM 0 HD11 LEU A 6 13.017 -39.122 7.052 1.00 53.11 H new ATOM 0 HD12 LEU A 6 14.391 -38.914 5.940 1.00 53.11 H new ATOM 0 HD13 LEU A 6 14.124 -40.481 6.741 1.00 53.11 H new ATOM 0 HD21 LEU A 6 13.393 -39.285 9.484 1.00 33.34 H new ATOM 0 HD22 LEU A 6 14.515 -40.650 9.269 1.00 33.34 H new ATOM 0 HD23 LEU A 6 15.041 -39.194 10.148 1.00 33.34 H new ATOM 114 N LYS A 7 15.701 -42.284 5.917 1.00 55.30 N ATOM 115 CA LYS A 7 15.424 -42.768 4.570 1.00 62.12 C ATOM 116 C LYS A 7 13.934 -43.034 4.382 1.00 11.31 C ATOM 117 O LYS A 7 13.284 -43.620 5.247 1.00 63.12 O ATOM 118 CB LYS A 7 16.220 -44.046 4.292 1.00 53.52 C ATOM 119 CG LYS A 7 15.779 -45.232 5.132 1.00 54.32 C ATOM 120 CD LYS A 7 16.860 -46.297 5.204 1.00 52.14 C ATOM 121 CE LYS A 7 16.438 -47.460 6.088 1.00 61.31 C ATOM 122 NZ LYS A 7 17.599 -48.305 6.484 1.00 12.14 N ATOM 0 H LYS A 7 15.258 -42.826 6.659 1.00 55.30 H new ATOM 0 HA LYS A 7 15.729 -41.996 3.864 1.00 62.12 H new ATOM 0 HB2 LYS A 7 16.123 -44.302 3.237 1.00 53.52 H new ATOM 0 HB3 LYS A 7 17.277 -43.853 4.477 1.00 53.52 H new ATOM 0 HG2 LYS A 7 15.532 -44.894 6.139 1.00 54.32 H new ATOM 0 HG3 LYS A 7 14.871 -45.662 4.708 1.00 54.32 H new ATOM 0 HD2 LYS A 7 17.080 -46.662 4.201 1.00 52.14 H new ATOM 0 HD3 LYS A 7 17.779 -45.858 5.592 1.00 52.14 H new ATOM 0 HE2 LYS A 7 15.946 -47.077 6.982 1.00 61.31 H new ATOM 0 HE3 LYS A 7 15.707 -48.072 5.559 1.00 61.31 H new ATOM 0 HZ1 LYS A 7 17.270 -49.087 7.086 1.00 12.14 H new ATOM 0 HZ2 LYS A 7 18.054 -48.691 5.632 1.00 12.14 H new ATOM 0 HZ3 LYS A 7 18.285 -47.728 7.011 1.00 12.14 H new ATOM 136 N GLY A 8 13.398 -42.599 3.245 1.00 23.23 N ATOM 137 CA GLY A 8 11.989 -42.802 2.964 1.00 21.01 C ATOM 138 C GLY A 8 11.532 -42.059 1.725 1.00 44.45 C ATOM 139 O GLY A 8 12.341 -41.448 1.025 1.00 55.30 O ATOM 0 H GLY A 8 13.915 -42.110 2.514 1.00 23.23 H new ATOM 0 HA2 GLY A 8 11.797 -43.867 2.836 1.00 21.01 H new ATOM 0 HA3 GLY A 8 11.400 -42.472 3.820 1.00 21.01 H new ATOM 143 N VAL A 9 10.233 -42.111 1.450 1.00 72.10 N ATOM 144 CA VAL A 9 9.669 -41.437 0.286 1.00 24.23 C ATOM 145 C VAL A 9 9.813 -39.924 0.405 1.00 73.02 C ATOM 146 O VAL A 9 9.624 -39.355 1.480 1.00 40.43 O ATOM 147 CB VAL A 9 8.181 -41.788 0.100 1.00 2.04 C ATOM 148 CG1 VAL A 9 7.370 -41.329 1.302 1.00 0.53 C ATOM 149 CG2 VAL A 9 7.645 -41.171 -1.182 1.00 41.05 C ATOM 0 H VAL A 9 9.550 -42.613 2.018 1.00 72.10 H new ATOM 0 HA VAL A 9 10.227 -41.785 -0.583 1.00 24.23 H new ATOM 0 HB VAL A 9 8.088 -42.871 0.021 1.00 2.04 H new ATOM 0 HG11 VAL A 9 6.321 -41.585 1.153 1.00 0.53 H new ATOM 0 HG12 VAL A 9 7.740 -41.823 2.201 1.00 0.53 H new ATOM 0 HG13 VAL A 9 7.467 -40.249 1.415 1.00 0.53 H new ATOM 0 HG21 VAL A 9 6.592 -41.429 -1.298 1.00 41.05 H new ATOM 0 HG22 VAL A 9 7.750 -40.087 -1.136 1.00 41.05 H new ATOM 0 HG23 VAL A 9 8.208 -41.554 -2.033 1.00 41.05 H new ATOM 159 N SER A 10 10.147 -39.278 -0.708 1.00 1.14 N ATOM 160 CA SER A 10 10.318 -37.830 -0.729 1.00 12.24 C ATOM 161 C SER A 10 10.377 -37.310 -2.162 1.00 35.51 C ATOM 162 O SER A 10 11.128 -37.825 -2.990 1.00 73.54 O ATOM 163 CB SER A 10 11.591 -37.434 0.022 1.00 71.22 C ATOM 164 OG SER A 10 11.660 -36.031 0.205 1.00 13.30 O ATOM 0 H SER A 10 10.304 -39.734 -1.606 1.00 1.14 H new ATOM 0 HA SER A 10 9.458 -37.381 -0.233 1.00 12.24 H new ATOM 0 HB2 SER A 10 11.615 -37.932 0.991 1.00 71.22 H new ATOM 0 HB3 SER A 10 12.465 -37.775 -0.533 1.00 71.22 H new ATOM 0 HG SER A 10 12.482 -35.804 0.689 1.00 13.30 H new ATOM 170 N TYR A 11 9.579 -36.287 -2.447 1.00 33.34 N ATOM 171 CA TYR A 11 9.537 -35.699 -3.780 1.00 0.41 C ATOM 172 C TYR A 11 10.769 -34.835 -4.033 1.00 61.20 C ATOM 173 O TYR A 11 11.478 -34.457 -3.101 1.00 1.14 O ATOM 174 CB TYR A 11 8.269 -34.860 -3.951 1.00 21.14 C ATOM 175 CG TYR A 11 7.047 -35.676 -4.307 1.00 41.13 C ATOM 176 CD1 TYR A 11 5.886 -35.592 -3.548 1.00 63.41 C ATOM 177 CD2 TYR A 11 7.053 -36.531 -5.402 1.00 43.24 C ATOM 178 CE1 TYR A 11 4.767 -36.336 -3.870 1.00 24.44 C ATOM 179 CE2 TYR A 11 5.939 -37.277 -5.732 1.00 72.32 C ATOM 180 CZ TYR A 11 4.798 -37.177 -4.963 1.00 5.13 C ATOM 181 OH TYR A 11 3.687 -37.920 -5.287 1.00 54.01 O ATOM 0 H TYR A 11 8.952 -35.848 -1.772 1.00 33.34 H new ATOM 0 HA TYR A 11 9.528 -36.511 -4.507 1.00 0.41 H new ATOM 0 HB2 TYR A 11 8.076 -34.316 -3.026 1.00 21.14 H new ATOM 0 HB3 TYR A 11 8.438 -34.116 -4.729 1.00 21.14 H new ATOM 0 HD1 TYR A 11 5.858 -34.934 -2.692 1.00 63.41 H new ATOM 0 HD2 TYR A 11 7.945 -36.614 -6.006 1.00 43.24 H new ATOM 0 HE1 TYR A 11 3.873 -36.259 -3.269 1.00 24.44 H new ATOM 0 HE2 TYR A 11 5.961 -37.935 -6.588 1.00 72.32 H new ATOM 0 HH TYR A 11 3.875 -38.459 -6.084 1.00 54.01 H new ATOM 191 N SER A 12 11.017 -34.527 -5.302 1.00 0.10 N ATOM 192 CA SER A 12 12.165 -33.711 -5.680 1.00 51.11 C ATOM 193 C SER A 12 11.720 -32.323 -6.131 1.00 72.14 C ATOM 194 O SER A 12 10.526 -32.061 -6.286 1.00 2.54 O ATOM 195 CB SER A 12 12.957 -34.393 -6.797 1.00 74.33 C ATOM 196 OG SER A 12 13.865 -35.345 -6.271 1.00 35.43 O ATOM 0 H SER A 12 10.439 -34.830 -6.086 1.00 0.10 H new ATOM 0 HA SER A 12 12.806 -33.602 -4.805 1.00 51.11 H new ATOM 0 HB2 SER A 12 12.270 -34.884 -7.487 1.00 74.33 H new ATOM 0 HB3 SER A 12 13.503 -33.643 -7.370 1.00 74.33 H new ATOM 0 HG SER A 12 14.357 -35.768 -7.005 1.00 35.43 H new ATOM 202 N LEU A 13 12.688 -31.438 -6.341 1.00 54.25 N ATOM 203 CA LEU A 13 12.397 -30.076 -6.776 1.00 4.32 C ATOM 204 C LEU A 13 12.994 -29.804 -8.153 1.00 25.41 C ATOM 205 O LEU A 13 13.926 -30.486 -8.582 1.00 31.51 O ATOM 206 CB LEU A 13 12.945 -29.069 -5.763 1.00 11.24 C ATOM 207 CG LEU A 13 14.467 -29.011 -5.629 1.00 21.31 C ATOM 208 CD1 LEU A 13 14.914 -27.619 -5.211 1.00 31.15 C ATOM 209 CD2 LEU A 13 14.955 -30.052 -4.632 1.00 35.14 C ATOM 0 H LEU A 13 13.680 -31.639 -6.217 1.00 54.25 H new ATOM 0 HA LEU A 13 11.315 -29.965 -6.842 1.00 4.32 H new ATOM 0 HB2 LEU A 13 12.587 -28.077 -6.037 1.00 11.24 H new ATOM 0 HB3 LEU A 13 12.523 -29.301 -4.785 1.00 11.24 H new ATOM 0 HG LEU A 13 14.906 -29.234 -6.601 1.00 21.31 H new ATOM 0 HD11 LEU A 13 16.000 -27.597 -5.121 1.00 31.15 H new ATOM 0 HD12 LEU A 13 14.598 -26.895 -5.962 1.00 31.15 H new ATOM 0 HD13 LEU A 13 14.465 -27.366 -4.251 1.00 31.15 H new ATOM 0 HD21 LEU A 13 16.040 -29.996 -4.550 1.00 35.14 H new ATOM 0 HD22 LEU A 13 14.507 -29.860 -3.657 1.00 35.14 H new ATOM 0 HD23 LEU A 13 14.668 -31.046 -4.974 1.00 35.14 H new ATOM 221 N CYS A 14 12.454 -28.804 -8.840 1.00 10.05 N ATOM 222 CA CYS A 14 12.935 -28.440 -10.168 1.00 23.24 C ATOM 223 C CYS A 14 13.128 -26.931 -10.282 1.00 35.43 C ATOM 224 O CYS A 14 12.604 -26.164 -9.473 1.00 73.32 O ATOM 225 CB CYS A 14 11.956 -28.924 -11.238 1.00 30.21 C ATOM 226 SG CYS A 14 11.675 -30.710 -11.228 1.00 30.31 S ATOM 0 H CYS A 14 11.682 -28.230 -8.499 1.00 10.05 H new ATOM 0 HA CYS A 14 13.899 -28.924 -10.323 1.00 23.24 H new ATOM 0 HB2 CYS A 14 11.002 -28.416 -11.098 1.00 30.21 H new ATOM 0 HB3 CYS A 14 12.332 -28.632 -12.218 1.00 30.21 H new ATOM 0 HG CYS A 14 10.831 -31.022 -12.167 1.00 30.31 H new ATOM 232 N THR A 15 13.884 -26.511 -11.291 1.00 21.11 N ATOM 233 CA THR A 15 14.148 -25.095 -11.510 1.00 3.32 C ATOM 234 C THR A 15 14.318 -24.790 -12.994 1.00 3.13 C ATOM 235 O THR A 15 15.439 -24.681 -13.490 1.00 60.11 O ATOM 236 CB THR A 15 15.410 -24.635 -10.755 1.00 62.41 C ATOM 237 OG1 THR A 15 15.791 -23.325 -11.189 1.00 13.11 O ATOM 238 CG2 THR A 15 16.560 -25.605 -10.984 1.00 2.42 C ATOM 0 H THR A 15 14.324 -27.132 -11.970 1.00 21.11 H new ATOM 0 HA THR A 15 13.285 -24.550 -11.127 1.00 3.32 H new ATOM 0 HB THR A 15 15.181 -24.611 -9.690 1.00 62.41 H new ATOM 0 HG1 THR A 15 16.137 -23.372 -12.105 1.00 13.11 H new ATOM 0 HG21 THR A 15 17.440 -25.260 -10.442 1.00 2.42 H new ATOM 0 HG22 THR A 15 16.278 -26.595 -10.626 1.00 2.42 H new ATOM 0 HG23 THR A 15 16.787 -25.656 -12.049 1.00 2.42 H new ATOM 246 N ALA A 16 13.199 -24.653 -13.697 1.00 10.42 N ATOM 247 CA ALA A 16 13.225 -24.358 -15.124 1.00 52.21 C ATOM 248 C ALA A 16 13.990 -23.069 -15.405 1.00 14.33 C ATOM 249 O ALA A 16 14.409 -22.371 -14.482 1.00 30.34 O ATOM 250 CB ALA A 16 11.807 -24.262 -15.669 1.00 24.11 C ATOM 0 H ALA A 16 12.263 -24.742 -13.302 1.00 10.42 H new ATOM 0 HA ALA A 16 13.742 -25.174 -15.629 1.00 52.21 H new ATOM 0 HB1 ALA A 16 11.841 -24.041 -16.736 1.00 24.11 H new ATOM 0 HB2 ALA A 16 11.292 -25.209 -15.511 1.00 24.11 H new ATOM 0 HB3 ALA A 16 11.271 -23.467 -15.151 1.00 24.11 H new ATOM 256 N ALA A 17 14.168 -22.759 -16.685 1.00 0.34 N ATOM 257 CA ALA A 17 14.882 -21.553 -17.086 1.00 61.12 C ATOM 258 C ALA A 17 14.252 -20.930 -18.327 1.00 45.23 C ATOM 259 O ALA A 17 13.762 -21.636 -19.208 1.00 64.25 O ATOM 260 CB ALA A 17 16.349 -21.868 -17.338 1.00 3.12 C ATOM 0 H ALA A 17 13.828 -23.326 -17.462 1.00 0.34 H new ATOM 0 HA ALA A 17 14.811 -20.831 -16.273 1.00 61.12 H new ATOM 0 HB1 ALA A 17 16.870 -20.959 -17.637 1.00 3.12 H new ATOM 0 HB2 ALA A 17 16.799 -22.261 -16.426 1.00 3.12 H new ATOM 0 HB3 ALA A 17 16.431 -22.610 -18.132 1.00 3.12 H new ATOM 266 N PHE A 18 14.268 -19.602 -18.390 1.00 63.40 N ATOM 267 CA PHE A 18 13.697 -18.884 -19.523 1.00 14.32 C ATOM 268 C PHE A 18 14.768 -18.082 -20.255 1.00 45.21 C ATOM 269 O PHE A 18 15.819 -17.769 -19.694 1.00 21.12 O ATOM 270 CB PHE A 18 12.579 -17.951 -19.051 1.00 22.12 C ATOM 271 CG PHE A 18 11.584 -18.618 -18.144 1.00 65.14 C ATOM 272 CD1 PHE A 18 11.661 -18.455 -16.771 1.00 13.23 C ATOM 273 CD2 PHE A 18 10.573 -19.409 -18.666 1.00 44.13 C ATOM 274 CE1 PHE A 18 10.747 -19.067 -15.934 1.00 14.12 C ATOM 275 CE2 PHE A 18 9.656 -20.023 -17.834 1.00 64.05 C ATOM 276 CZ PHE A 18 9.744 -19.853 -16.467 1.00 12.15 C ATOM 0 H PHE A 18 14.670 -19.002 -17.670 1.00 63.40 H new ATOM 0 HA PHE A 18 13.282 -19.618 -20.214 1.00 14.32 H new ATOM 0 HB2 PHE A 18 13.021 -17.102 -18.530 1.00 22.12 H new ATOM 0 HB3 PHE A 18 12.056 -17.554 -19.921 1.00 22.12 H new ATOM 0 HD1 PHE A 18 12.444 -17.843 -16.349 1.00 13.23 H new ATOM 0 HD2 PHE A 18 10.501 -19.547 -19.735 1.00 44.13 H new ATOM 0 HE1 PHE A 18 10.817 -18.931 -14.865 1.00 14.12 H new ATOM 0 HE2 PHE A 18 8.871 -20.635 -18.253 1.00 64.05 H new ATOM 0 HZ PHE A 18 9.030 -20.334 -15.815 1.00 12.15 H new ATOM 286 N THR A 19 14.496 -17.752 -21.514 1.00 13.22 N ATOM 287 CA THR A 19 15.436 -16.989 -22.325 1.00 22.21 C ATOM 288 C THR A 19 14.716 -16.231 -23.434 1.00 45.41 C ATOM 289 O THR A 19 13.597 -16.576 -23.811 1.00 35.52 O ATOM 290 CB THR A 19 16.505 -17.903 -22.953 1.00 44.25 C ATOM 291 OG1 THR A 19 16.750 -19.028 -22.102 1.00 41.04 O ATOM 292 CG2 THR A 19 17.802 -17.141 -23.181 1.00 3.11 C ATOM 0 H THR A 19 13.631 -18.002 -21.994 1.00 13.22 H new ATOM 0 HA THR A 19 15.923 -16.276 -21.659 1.00 22.21 H new ATOM 0 HB THR A 19 16.133 -18.252 -23.916 1.00 44.25 H new ATOM 0 HG1 THR A 19 17.430 -19.605 -22.510 1.00 41.04 H new ATOM 0 HG21 THR A 19 18.542 -17.807 -23.625 1.00 3.11 H new ATOM 0 HG22 THR A 19 17.618 -16.303 -23.853 1.00 3.11 H new ATOM 0 HG23 THR A 19 18.176 -16.767 -22.228 1.00 3.11 H new ATOM 300 N PHE A 20 15.367 -15.195 -23.954 1.00 54.05 N ATOM 301 CA PHE A 20 14.788 -14.387 -25.022 1.00 11.04 C ATOM 302 C PHE A 20 14.940 -15.080 -26.372 1.00 61.33 C ATOM 303 O PHE A 20 16.018 -15.566 -26.717 1.00 21.24 O ATOM 304 CB PHE A 20 15.453 -13.010 -25.065 1.00 12.40 C ATOM 305 CG PHE A 20 14.988 -12.085 -23.976 1.00 62.12 C ATOM 306 CD1 PHE A 20 13.636 -11.875 -23.758 1.00 42.51 C ATOM 307 CD2 PHE A 20 15.903 -11.426 -23.171 1.00 65.22 C ATOM 308 CE1 PHE A 20 13.205 -11.025 -22.757 1.00 2.33 C ATOM 309 CE2 PHE A 20 15.478 -10.576 -22.168 1.00 44.32 C ATOM 310 CZ PHE A 20 14.128 -10.374 -21.962 1.00 13.35 C ATOM 0 H PHE A 20 16.295 -14.895 -23.654 1.00 54.05 H new ATOM 0 HA PHE A 20 13.725 -14.264 -24.815 1.00 11.04 H new ATOM 0 HB2 PHE A 20 16.533 -13.135 -24.988 1.00 12.40 H new ATOM 0 HB3 PHE A 20 15.253 -12.549 -26.032 1.00 12.40 H new ATOM 0 HD1 PHE A 20 12.910 -12.381 -24.377 1.00 42.51 H new ATOM 0 HD2 PHE A 20 16.960 -11.578 -23.329 1.00 65.22 H new ATOM 0 HE1 PHE A 20 12.148 -10.870 -22.597 1.00 2.33 H new ATOM 0 HE2 PHE A 20 16.201 -10.070 -21.546 1.00 44.32 H new ATOM 0 HZ PHE A 20 13.794 -9.708 -21.180 1.00 13.35 H new ATOM 320 N THR A 21 13.852 -15.123 -27.135 1.00 32.22 N ATOM 321 CA THR A 21 13.862 -15.759 -28.446 1.00 72.30 C ATOM 322 C THR A 21 13.509 -14.762 -29.544 1.00 31.04 C ATOM 323 O THR A 21 14.069 -14.804 -30.639 1.00 63.21 O ATOM 324 CB THR A 21 12.875 -16.941 -28.505 1.00 1.41 C ATOM 325 OG1 THR A 21 11.529 -16.454 -28.528 1.00 13.33 O ATOM 326 CG2 THR A 21 13.065 -17.865 -27.311 1.00 44.45 C ATOM 0 H THR A 21 12.952 -14.724 -26.867 1.00 32.22 H new ATOM 0 HA THR A 21 14.874 -16.131 -28.608 1.00 72.30 H new ATOM 0 HB THR A 21 13.072 -17.506 -29.416 1.00 1.41 H new ATOM 0 HG1 THR A 21 10.937 -17.108 -28.101 1.00 13.33 H new ATOM 0 HG21 THR A 21 12.357 -18.692 -27.374 1.00 44.45 H new ATOM 0 HG22 THR A 21 14.082 -18.257 -27.312 1.00 44.45 H new ATOM 0 HG23 THR A 21 12.892 -17.309 -26.390 1.00 44.45 H new ATOM 334 N LYS A 22 12.577 -13.864 -29.243 1.00 74.23 N ATOM 335 CA LYS A 22 12.150 -12.853 -30.203 1.00 72.34 C ATOM 336 C LYS A 22 12.483 -11.452 -29.702 1.00 52.31 C ATOM 337 O LYS A 22 11.824 -10.932 -28.801 1.00 32.10 O ATOM 338 CB LYS A 22 10.646 -12.970 -30.463 1.00 41.41 C ATOM 339 CG LYS A 22 10.226 -12.475 -31.837 1.00 30.55 C ATOM 340 CD LYS A 22 8.980 -13.192 -32.330 1.00 22.01 C ATOM 341 CE LYS A 22 8.833 -13.079 -33.840 1.00 24.24 C ATOM 342 NZ LYS A 22 8.073 -14.225 -34.410 1.00 71.32 N ATOM 0 H LYS A 22 12.103 -13.816 -28.341 1.00 74.23 H new ATOM 0 HA LYS A 22 12.688 -13.023 -31.136 1.00 72.34 H new ATOM 0 HB2 LYS A 22 10.347 -14.013 -30.355 1.00 41.41 H new ATOM 0 HB3 LYS A 22 10.109 -12.404 -29.702 1.00 41.41 H new ATOM 0 HG2 LYS A 22 10.038 -11.402 -31.797 1.00 30.55 H new ATOM 0 HG3 LYS A 22 11.040 -12.629 -32.545 1.00 30.55 H new ATOM 0 HD2 LYS A 22 9.027 -14.243 -32.046 1.00 22.01 H new ATOM 0 HD3 LYS A 22 8.100 -12.770 -31.845 1.00 22.01 H new ATOM 0 HE2 LYS A 22 8.324 -12.147 -34.087 1.00 24.24 H new ATOM 0 HE3 LYS A 22 9.821 -13.034 -34.299 1.00 24.24 H new ATOM 0 HZ1 LYS A 22 7.818 -14.016 -35.396 1.00 71.32 H new ATOM 0 HZ2 LYS A 22 8.661 -15.082 -34.378 1.00 71.32 H new ATOM 0 HZ3 LYS A 22 7.208 -14.379 -33.854 1.00 71.32 H new ATOM 356 N ILE A 23 13.507 -10.845 -30.292 1.00 23.20 N ATOM 357 CA ILE A 23 13.925 -9.503 -29.906 1.00 61.20 C ATOM 358 C ILE A 23 12.770 -8.514 -30.017 1.00 74.43 C ATOM 359 O ILE A 23 12.047 -8.475 -31.014 1.00 3.05 O ATOM 360 CB ILE A 23 15.096 -9.007 -30.774 1.00 43.42 C ATOM 361 CG1 ILE A 23 16.269 -9.986 -30.696 1.00 31.31 C ATOM 362 CG2 ILE A 23 15.530 -7.617 -30.334 1.00 0.53 C ATOM 363 CD1 ILE A 23 17.442 -9.595 -31.567 1.00 23.14 C ATOM 0 H ILE A 23 14.063 -11.261 -31.039 1.00 23.20 H new ATOM 0 HA ILE A 23 14.252 -9.561 -28.868 1.00 61.20 H new ATOM 0 HB ILE A 23 14.762 -8.952 -31.810 1.00 43.42 H new ATOM 0 HG12 ILE A 23 16.603 -10.058 -29.661 1.00 31.31 H new ATOM 0 HG13 ILE A 23 15.924 -10.978 -30.989 1.00 31.31 H new ATOM 0 HG21 ILE A 23 16.359 -7.280 -30.957 1.00 0.53 H new ATOM 0 HG22 ILE A 23 14.694 -6.925 -30.437 1.00 0.53 H new ATOM 0 HG23 ILE A 23 15.849 -7.648 -29.292 1.00 0.53 H new ATOM 0 HD11 ILE A 23 18.236 -10.334 -31.461 1.00 23.14 H new ATOM 0 HD12 ILE A 23 17.123 -9.551 -32.608 1.00 23.14 H new ATOM 0 HD13 ILE A 23 17.813 -8.617 -31.260 1.00 23.14 H new ATOM 375 N PRO A 24 12.590 -7.694 -28.971 1.00 70.13 N ATOM 376 CA PRO A 24 11.524 -6.689 -28.927 1.00 74.23 C ATOM 377 C PRO A 24 11.763 -5.546 -29.908 1.00 23.23 C ATOM 378 O PRO A 24 12.903 -5.258 -30.273 1.00 14.23 O ATOM 379 CB PRO A 24 11.578 -6.177 -27.486 1.00 33.53 C ATOM 380 CG PRO A 24 12.979 -6.429 -27.047 1.00 31.12 C ATOM 381 CD PRO A 24 13.415 -7.684 -27.751 1.00 75.13 C ATOM 0 HA PRO A 24 10.558 -7.108 -29.209 1.00 74.23 H new ATOM 0 HB2 PRO A 24 11.331 -5.117 -27.433 1.00 33.53 H new ATOM 0 HB3 PRO A 24 10.864 -6.703 -26.852 1.00 33.53 H new ATOM 0 HG2 PRO A 24 13.626 -5.591 -27.307 1.00 31.12 H new ATOM 0 HG3 PRO A 24 13.033 -6.550 -25.965 1.00 31.12 H new ATOM 0 HD2 PRO A 24 14.479 -7.664 -27.986 1.00 75.13 H new ATOM 0 HD3 PRO A 24 13.240 -8.569 -27.140 1.00 75.13 H new ATOM 389 N ALA A 25 10.682 -4.898 -30.330 1.00 65.40 N ATOM 390 CA ALA A 25 10.776 -3.786 -31.268 1.00 20.34 C ATOM 391 C ALA A 25 9.421 -3.113 -31.458 1.00 1.04 C ATOM 392 O ALA A 25 8.436 -3.767 -31.799 1.00 10.51 O ATOM 393 CB ALA A 25 11.320 -4.267 -32.604 1.00 65.54 C ATOM 0 H ALA A 25 9.731 -5.124 -30.037 1.00 65.40 H new ATOM 0 HA ALA A 25 11.464 -3.049 -30.852 1.00 20.34 H new ATOM 0 HB1 ALA A 25 11.385 -3.426 -33.295 1.00 65.54 H new ATOM 0 HB2 ALA A 25 12.312 -4.695 -32.460 1.00 65.54 H new ATOM 0 HB3 ALA A 25 10.654 -5.025 -33.017 1.00 65.54 H new ATOM 399 N GLU A 26 9.380 -1.803 -31.233 1.00 74.25 N ATOM 400 CA GLU A 26 8.144 -1.042 -31.381 1.00 24.51 C ATOM 401 C GLU A 26 7.727 -0.961 -32.847 1.00 22.15 C ATOM 402 O GLU A 26 8.568 -0.986 -33.746 1.00 72.32 O ATOM 403 CB GLU A 26 8.316 0.366 -30.809 1.00 53.41 C ATOM 404 CG GLU A 26 7.028 0.963 -30.266 1.00 5.35 C ATOM 405 CD GLU A 26 7.171 2.430 -29.909 1.00 53.31 C ATOM 406 OE1 GLU A 26 8.113 3.075 -30.416 1.00 72.31 O ATOM 407 OE2 GLU A 26 6.341 2.934 -29.124 1.00 32.24 O ATOM 0 H GLU A 26 10.187 -1.247 -30.948 1.00 74.25 H new ATOM 0 HA GLU A 26 7.360 -1.558 -30.827 1.00 24.51 H new ATOM 0 HB2 GLU A 26 9.058 0.337 -30.011 1.00 53.41 H new ATOM 0 HB3 GLU A 26 8.710 1.020 -31.587 1.00 53.41 H new ATOM 0 HG2 GLU A 26 6.238 0.849 -31.008 1.00 5.35 H new ATOM 0 HG3 GLU A 26 6.718 0.406 -29.382 1.00 5.35 H new ATOM 414 N THR A 27 6.422 -0.864 -33.080 1.00 11.12 N ATOM 415 CA THR A 27 5.892 -0.779 -34.435 1.00 32.43 C ATOM 416 C THR A 27 5.078 0.495 -34.628 1.00 40.02 C ATOM 417 O THR A 27 5.021 1.348 -33.742 1.00 2.24 O ATOM 418 CB THR A 27 5.007 -1.995 -34.769 1.00 23.42 C ATOM 419 OG1 THR A 27 3.842 -1.997 -33.937 1.00 55.53 O ATOM 420 CG2 THR A 27 5.776 -3.294 -34.574 1.00 43.45 C ATOM 0 H THR A 27 5.712 -0.842 -32.348 1.00 11.12 H new ATOM 0 HA THR A 27 6.748 -0.766 -35.109 1.00 32.43 H new ATOM 0 HB THR A 27 4.707 -1.921 -35.814 1.00 23.42 H new ATOM 0 HG1 THR A 27 3.284 -2.772 -34.157 1.00 55.53 H new ATOM 0 HG21 THR A 27 5.131 -4.139 -34.816 1.00 43.45 H new ATOM 0 HG22 THR A 27 6.647 -3.303 -35.230 1.00 43.45 H new ATOM 0 HG23 THR A 27 6.102 -3.372 -33.537 1.00 43.45 H new ATOM 428 N LEU A 28 4.449 0.618 -35.791 1.00 54.45 N ATOM 429 CA LEU A 28 3.637 1.791 -36.102 1.00 25.51 C ATOM 430 C LEU A 28 2.590 2.030 -35.019 1.00 71.04 C ATOM 431 O LEU A 28 2.248 3.173 -34.713 1.00 71.25 O ATOM 432 CB LEU A 28 2.954 1.617 -37.459 1.00 42.35 C ATOM 433 CG LEU A 28 1.846 0.566 -37.524 1.00 31.33 C ATOM 434 CD1 LEU A 28 0.500 1.187 -37.185 1.00 51.44 C ATOM 435 CD2 LEU A 28 1.805 -0.083 -38.900 1.00 2.22 C ATOM 0 H LEU A 28 4.485 -0.079 -36.535 1.00 54.45 H new ATOM 0 HA LEU A 28 4.295 2.659 -36.143 1.00 25.51 H new ATOM 0 HB2 LEU A 28 2.534 2.577 -37.757 1.00 42.35 H new ATOM 0 HB3 LEU A 28 3.715 1.359 -38.196 1.00 42.35 H new ATOM 0 HG LEU A 28 2.062 -0.207 -36.787 1.00 31.33 H new ATOM 0 HD11 LEU A 28 -0.276 0.424 -37.237 1.00 51.44 H new ATOM 0 HD12 LEU A 28 0.534 1.602 -36.178 1.00 51.44 H new ATOM 0 HD13 LEU A 28 0.276 1.981 -37.897 1.00 51.44 H new ATOM 0 HD21 LEU A 28 1.010 -0.828 -38.927 1.00 2.22 H new ATOM 0 HD22 LEU A 28 1.614 0.679 -39.656 1.00 2.22 H new ATOM 0 HD23 LEU A 28 2.761 -0.565 -39.104 1.00 2.22 H new ATOM 447 N HIS A 29 2.085 0.945 -34.441 1.00 61.32 N ATOM 448 CA HIS A 29 1.078 1.037 -33.390 1.00 74.24 C ATOM 449 C HIS A 29 1.679 1.606 -32.109 1.00 43.33 C ATOM 450 O HIS A 29 0.988 2.248 -31.319 1.00 44.11 O ATOM 451 CB HIS A 29 0.471 -0.339 -33.115 1.00 35.22 C ATOM 452 CG HIS A 29 -0.937 -0.282 -32.607 1.00 12.13 C ATOM 453 ND1 HIS A 29 -1.929 0.455 -33.219 1.00 1.10 N ATOM 454 CD2 HIS A 29 -1.518 -0.877 -31.539 1.00 2.04 C ATOM 455 CE1 HIS A 29 -3.058 0.312 -32.548 1.00 51.34 C ATOM 456 NE2 HIS A 29 -2.836 -0.492 -31.524 1.00 42.33 N ATOM 0 H HIS A 29 2.357 -0.008 -34.683 1.00 61.32 H new ATOM 0 HA HIS A 29 0.293 1.711 -33.732 1.00 74.24 H new ATOM 0 HB2 HIS A 29 0.494 -0.927 -34.032 1.00 35.22 H new ATOM 0 HB3 HIS A 29 1.091 -0.861 -32.386 1.00 35.22 H new ATOM 0 HD2 HIS A 29 -1.035 -1.533 -30.830 1.00 2.04 H new ATOM 0 HE1 HIS A 29 -4.002 0.774 -32.795 1.00 51.34 H new ATOM 0 HE2 HIS A 29 -3.530 -0.780 -30.834 1.00 42.33 H new ATOM 464 N GLY A 30 2.972 1.366 -31.910 1.00 72.11 N ATOM 465 CA GLY A 30 3.644 1.859 -30.722 1.00 54.31 C ATOM 466 C GLY A 30 3.617 0.859 -29.583 1.00 52.14 C ATOM 467 O GLY A 30 3.557 1.239 -28.413 1.00 43.35 O ATOM 0 H GLY A 30 3.566 0.839 -32.550 1.00 72.11 H new ATOM 0 HA2 GLY A 30 4.679 2.098 -30.967 1.00 54.31 H new ATOM 0 HA3 GLY A 30 3.170 2.786 -30.399 1.00 54.31 H new ATOM 471 N THR A 31 3.659 -0.425 -29.924 1.00 61.25 N ATOM 472 CA THR A 31 3.637 -1.483 -28.922 1.00 64.24 C ATOM 473 C THR A 31 4.798 -2.452 -29.120 1.00 52.33 C ATOM 474 O THR A 31 5.202 -2.730 -30.249 1.00 73.14 O ATOM 475 CB THR A 31 2.314 -2.270 -28.965 1.00 31.11 C ATOM 476 OG1 THR A 31 2.108 -2.812 -30.274 1.00 52.23 O ATOM 477 CG2 THR A 31 1.141 -1.377 -28.590 1.00 20.04 C ATOM 0 H THR A 31 3.708 -0.757 -30.887 1.00 61.25 H new ATOM 0 HA THR A 31 3.732 -0.999 -27.950 1.00 64.24 H new ATOM 0 HB THR A 31 2.377 -3.083 -28.242 1.00 31.11 H new ATOM 0 HG1 THR A 31 1.266 -3.312 -30.292 1.00 52.23 H new ATOM 0 HG21 THR A 31 0.217 -1.955 -28.627 1.00 20.04 H new ATOM 0 HG22 THR A 31 1.286 -0.990 -27.581 1.00 20.04 H new ATOM 0 HG23 THR A 31 1.078 -0.546 -29.292 1.00 20.04 H new ATOM 485 N VAL A 32 5.331 -2.963 -28.015 1.00 74.41 N ATOM 486 CA VAL A 32 6.443 -3.904 -28.068 1.00 22.25 C ATOM 487 C VAL A 32 6.040 -5.264 -27.509 1.00 73.22 C ATOM 488 O VAL A 32 5.367 -5.352 -26.481 1.00 51.34 O ATOM 489 CB VAL A 32 7.660 -3.379 -27.282 1.00 35.22 C ATOM 490 CG1 VAL A 32 7.367 -3.369 -25.789 1.00 63.31 C ATOM 491 CG2 VAL A 32 8.892 -4.217 -27.587 1.00 21.15 C ATOM 0 H VAL A 32 5.011 -2.741 -27.072 1.00 74.41 H new ATOM 0 HA VAL A 32 6.716 -4.012 -29.118 1.00 22.25 H new ATOM 0 HB VAL A 32 7.859 -2.354 -27.595 1.00 35.22 H new ATOM 0 HG11 VAL A 32 8.238 -2.995 -25.250 1.00 63.31 H new ATOM 0 HG12 VAL A 32 6.512 -2.723 -25.590 1.00 63.31 H new ATOM 0 HG13 VAL A 32 7.141 -4.382 -25.456 1.00 63.31 H new ATOM 0 HG21 VAL A 32 9.742 -3.832 -27.024 1.00 21.15 H new ATOM 0 HG22 VAL A 32 8.707 -5.253 -27.303 1.00 21.15 H new ATOM 0 HG23 VAL A 32 9.111 -4.167 -28.654 1.00 21.15 H new ATOM 501 N THR A 33 6.456 -6.326 -28.193 1.00 54.32 N ATOM 502 CA THR A 33 6.137 -7.682 -27.767 1.00 31.41 C ATOM 503 C THR A 33 7.386 -8.419 -27.297 1.00 1.33 C ATOM 504 O THR A 33 8.473 -8.229 -27.842 1.00 62.14 O ATOM 505 CB THR A 33 5.477 -8.488 -28.902 1.00 41.43 C ATOM 506 OG1 THR A 33 6.456 -8.838 -29.887 1.00 32.41 O ATOM 507 CG2 THR A 33 4.359 -7.688 -29.554 1.00 11.03 C ATOM 0 H THR A 33 7.015 -6.272 -29.045 1.00 54.32 H new ATOM 0 HA THR A 33 5.435 -7.595 -26.938 1.00 31.41 H new ATOM 0 HB THR A 33 5.052 -9.396 -28.474 1.00 41.43 H new ATOM 0 HG1 THR A 33 6.029 -9.352 -30.604 1.00 32.41 H new ATOM 0 HG21 THR A 33 3.908 -8.277 -30.352 1.00 11.03 H new ATOM 0 HG22 THR A 33 3.601 -7.447 -28.808 1.00 11.03 H new ATOM 0 HG23 THR A 33 4.766 -6.766 -29.969 1.00 11.03 H new ATOM 515 N VAL A 34 7.224 -9.261 -26.281 1.00 0.43 N ATOM 516 CA VAL A 34 8.339 -10.029 -25.739 1.00 75.15 C ATOM 517 C VAL A 34 8.029 -11.522 -25.741 1.00 51.21 C ATOM 518 O VAL A 34 7.036 -11.960 -25.161 1.00 2.13 O ATOM 519 CB VAL A 34 8.679 -9.588 -24.304 1.00 25.24 C ATOM 520 CG1 VAL A 34 7.453 -9.688 -23.409 1.00 4.21 C ATOM 521 CG2 VAL A 34 9.824 -10.422 -23.748 1.00 60.22 C ATOM 0 H VAL A 34 6.331 -9.429 -25.817 1.00 0.43 H new ATOM 0 HA VAL A 34 9.198 -9.838 -26.382 1.00 75.15 H new ATOM 0 HB VAL A 34 8.997 -8.546 -24.329 1.00 25.24 H new ATOM 0 HG11 VAL A 34 7.713 -9.372 -22.399 1.00 4.21 H new ATOM 0 HG12 VAL A 34 6.665 -9.044 -23.799 1.00 4.21 H new ATOM 0 HG13 VAL A 34 7.102 -10.720 -23.387 1.00 4.21 H new ATOM 0 HG21 VAL A 34 10.051 -10.097 -22.733 1.00 60.22 H new ATOM 0 HG22 VAL A 34 9.536 -11.473 -23.737 1.00 60.22 H new ATOM 0 HG23 VAL A 34 10.706 -10.294 -24.376 1.00 60.22 H new ATOM 531 N GLU A 35 8.886 -12.298 -26.397 1.00 41.21 N ATOM 532 CA GLU A 35 8.703 -13.743 -26.474 1.00 3.54 C ATOM 533 C GLU A 35 9.839 -14.473 -25.762 1.00 53.02 C ATOM 534 O GLU A 35 10.986 -14.028 -25.781 1.00 3.33 O ATOM 535 CB GLU A 35 8.629 -14.193 -27.934 1.00 55.20 C ATOM 536 CG GLU A 35 7.717 -15.388 -28.157 1.00 12.24 C ATOM 537 CD GLU A 35 7.733 -15.874 -29.593 1.00 35.12 C ATOM 538 OE1 GLU A 35 6.707 -15.709 -30.286 1.00 14.44 O ATOM 539 OE2 GLU A 35 8.770 -16.420 -30.024 1.00 14.13 O ATOM 0 H GLU A 35 9.713 -11.951 -26.882 1.00 41.21 H new ATOM 0 HA GLU A 35 7.765 -13.992 -25.977 1.00 3.54 H new ATOM 0 HB2 GLU A 35 8.279 -13.361 -28.545 1.00 55.20 H new ATOM 0 HB3 GLU A 35 9.632 -14.443 -28.280 1.00 55.20 H new ATOM 0 HG2 GLU A 35 8.022 -16.201 -27.499 1.00 12.24 H new ATOM 0 HG3 GLU A 35 6.698 -15.119 -27.880 1.00 12.24 H new ATOM 546 N VAL A 36 9.509 -15.598 -25.135 1.00 5.32 N ATOM 547 CA VAL A 36 10.500 -16.391 -24.417 1.00 42.02 C ATOM 548 C VAL A 36 10.244 -17.883 -24.597 1.00 24.12 C ATOM 549 O VAL A 36 9.168 -18.289 -25.034 1.00 63.52 O ATOM 550 CB VAL A 36 10.502 -16.059 -22.913 1.00 65.01 C ATOM 551 CG1 VAL A 36 11.057 -14.663 -22.675 1.00 52.31 C ATOM 552 CG2 VAL A 36 9.101 -16.191 -22.337 1.00 12.51 C ATOM 0 H VAL A 36 8.564 -15.980 -25.110 1.00 5.32 H new ATOM 0 HA VAL A 36 11.473 -16.139 -24.838 1.00 42.02 H new ATOM 0 HB VAL A 36 11.148 -16.772 -22.402 1.00 65.01 H new ATOM 0 HG11 VAL A 36 11.051 -14.446 -21.607 1.00 52.31 H new ATOM 0 HG12 VAL A 36 12.079 -14.609 -23.050 1.00 52.31 H new ATOM 0 HG13 VAL A 36 10.440 -13.932 -23.197 1.00 52.31 H new ATOM 0 HG21 VAL A 36 9.121 -15.953 -21.274 1.00 12.51 H new ATOM 0 HG22 VAL A 36 8.430 -15.502 -22.851 1.00 12.51 H new ATOM 0 HG23 VAL A 36 8.746 -17.213 -22.473 1.00 12.51 H new ATOM 562 N GLN A 37 11.241 -18.694 -24.256 1.00 13.04 N ATOM 563 CA GLN A 37 11.123 -20.142 -24.380 1.00 43.03 C ATOM 564 C GLN A 37 10.771 -20.777 -23.039 1.00 65.12 C ATOM 565 O GLN A 37 11.529 -20.674 -22.074 1.00 64.03 O ATOM 566 CB GLN A 37 12.428 -20.737 -24.913 1.00 41.41 C ATOM 567 CG GLN A 37 12.230 -22.002 -25.732 1.00 23.12 C ATOM 568 CD GLN A 37 13.402 -22.293 -26.649 1.00 20.03 C ATOM 569 OE1 GLN A 37 13.774 -21.313 -27.464 1.00 52.03 O flip ATOM 570 NE2 GLN A 37 13.967 -23.387 -26.625 1.00 1.25 N flip ATOM 0 H GLN A 37 12.138 -18.373 -23.892 1.00 13.04 H new ATOM 0 HA GLN A 37 10.319 -20.357 -25.084 1.00 43.03 H new ATOM 0 HB2 GLN A 37 12.933 -19.992 -25.527 1.00 41.41 H new ATOM 0 HB3 GLN A 37 13.087 -20.957 -24.073 1.00 41.41 H new ATOM 0 HG2 GLN A 37 12.082 -22.847 -25.059 1.00 23.12 H new ATOM 0 HG3 GLN A 37 11.322 -21.906 -26.328 1.00 23.12 H new ATOM 0 HE21 GLN A 37 13.648 -24.112 -25.982 1.00 1.25 H new ATOM 0 HE22 GLN A 37 14.754 -23.568 -27.248 1.00 1.25 H new ATOM 579 N TYR A 38 9.618 -21.433 -22.986 1.00 32.34 N ATOM 580 CA TYR A 38 9.164 -22.083 -21.762 1.00 1.24 C ATOM 581 C TYR A 38 9.570 -23.553 -21.743 1.00 32.44 C ATOM 582 O TYR A 38 9.009 -24.373 -22.470 1.00 2.14 O ATOM 583 CB TYR A 38 7.645 -21.959 -21.627 1.00 24.53 C ATOM 584 CG TYR A 38 7.124 -20.568 -21.907 1.00 34.30 C ATOM 585 CD1 TYR A 38 7.325 -19.534 -21.001 1.00 65.02 C ATOM 586 CD2 TYR A 38 6.428 -20.288 -23.077 1.00 21.24 C ATOM 587 CE1 TYR A 38 6.850 -18.262 -21.253 1.00 0.55 C ATOM 588 CE2 TYR A 38 5.950 -19.018 -23.337 1.00 24.51 C ATOM 589 CZ TYR A 38 6.164 -18.009 -22.422 1.00 14.41 C ATOM 590 OH TYR A 38 5.688 -16.743 -22.677 1.00 1.21 O ATOM 0 H TYR A 38 8.980 -21.529 -23.776 1.00 32.34 H new ATOM 0 HA TYR A 38 9.639 -21.583 -20.918 1.00 1.24 H new ATOM 0 HB2 TYR A 38 7.169 -22.661 -22.312 1.00 24.53 H new ATOM 0 HB3 TYR A 38 7.353 -22.251 -20.618 1.00 24.53 H new ATOM 0 HD1 TYR A 38 7.862 -19.728 -20.084 1.00 65.02 H new ATOM 0 HD2 TYR A 38 6.258 -21.077 -23.795 1.00 21.24 H new ATOM 0 HE1 TYR A 38 7.015 -17.469 -20.538 1.00 0.55 H new ATOM 0 HE2 TYR A 38 5.412 -18.817 -24.252 1.00 24.51 H new ATOM 0 HH TYR A 38 5.962 -16.466 -23.576 1.00 1.21 H new ATOM 600 N ALA A 39 10.548 -23.880 -20.905 1.00 3.34 N ATOM 601 CA ALA A 39 11.028 -25.251 -20.788 1.00 4.04 C ATOM 602 C ALA A 39 10.867 -25.769 -19.363 1.00 20.44 C ATOM 603 O ALA A 39 11.827 -25.811 -18.594 1.00 70.24 O ATOM 604 CB ALA A 39 12.484 -25.339 -21.222 1.00 30.42 C ATOM 0 H ALA A 39 11.024 -23.213 -20.297 1.00 3.34 H new ATOM 0 HA ALA A 39 10.426 -25.878 -21.445 1.00 4.04 H new ATOM 0 HB1 ALA A 39 12.830 -26.369 -21.130 1.00 30.42 H new ATOM 0 HB2 ALA A 39 12.574 -25.018 -22.260 1.00 30.42 H new ATOM 0 HB3 ALA A 39 13.092 -24.694 -20.588 1.00 30.42 H new ATOM 610 N GLY A 40 9.645 -26.163 -19.016 1.00 23.23 N ATOM 611 CA GLY A 40 9.380 -26.671 -17.682 1.00 63.44 C ATOM 612 C GLY A 40 8.406 -27.833 -17.688 1.00 2.34 C ATOM 613 O GLY A 40 8.795 -28.979 -17.916 1.00 10.14 O ATOM 0 H GLY A 40 8.834 -26.139 -19.635 1.00 23.23 H new ATOM 0 HA2 GLY A 40 10.317 -26.988 -17.224 1.00 63.44 H new ATOM 0 HA3 GLY A 40 8.979 -25.868 -17.063 1.00 63.44 H new ATOM 617 N THR A 41 7.135 -27.538 -17.434 1.00 31.13 N ATOM 618 CA THR A 41 6.103 -28.567 -17.406 1.00 53.41 C ATOM 619 C THR A 41 5.080 -28.349 -18.515 1.00 60.24 C ATOM 620 O THR A 41 3.890 -28.608 -18.335 1.00 11.52 O ATOM 621 CB THR A 41 5.374 -28.595 -16.050 1.00 13.45 C ATOM 622 OG1 THR A 41 6.303 -28.345 -14.989 1.00 32.42 O ATOM 623 CG2 THR A 41 4.692 -29.937 -15.829 1.00 4.31 C ATOM 0 H THR A 41 6.796 -26.595 -17.245 1.00 31.13 H new ATOM 0 HA THR A 41 6.605 -29.522 -17.560 1.00 53.41 H new ATOM 0 HB THR A 41 4.612 -27.816 -16.056 1.00 13.45 H new ATOM 0 HG1 THR A 41 5.831 -28.363 -14.130 1.00 32.42 H new ATOM 0 HG21 THR A 41 4.184 -29.932 -14.865 1.00 4.31 H new ATOM 0 HG22 THR A 41 3.964 -30.110 -16.622 1.00 4.31 H new ATOM 0 HG23 THR A 41 5.439 -30.731 -15.842 1.00 4.31 H new ATOM 631 N ASP A 42 5.551 -27.874 -19.663 1.00 0.31 N ATOM 632 CA ASP A 42 4.677 -27.623 -20.803 1.00 12.21 C ATOM 633 C ASP A 42 3.371 -26.975 -20.354 1.00 11.40 C ATOM 634 O ASP A 42 2.299 -27.297 -20.864 1.00 33.24 O ATOM 635 CB ASP A 42 4.384 -28.928 -21.545 1.00 43.42 C ATOM 636 CG ASP A 42 3.541 -29.884 -20.725 1.00 1.12 C ATOM 637 OD1 ASP A 42 4.118 -30.638 -19.914 1.00 24.23 O ATOM 638 OD2 ASP A 42 2.304 -29.878 -20.893 1.00 50.43 O ATOM 0 H ASP A 42 6.533 -27.655 -19.829 1.00 0.31 H new ATOM 0 HA ASP A 42 5.189 -26.937 -21.478 1.00 12.21 H new ATOM 0 HB2 ASP A 42 3.869 -28.704 -22.479 1.00 43.42 H new ATOM 0 HB3 ASP A 42 5.325 -29.412 -21.808 1.00 43.42 H new ATOM 643 N GLY A 43 3.469 -26.059 -19.395 1.00 45.31 N ATOM 644 CA GLY A 43 2.289 -25.381 -18.893 1.00 12.42 C ATOM 645 C GLY A 43 1.203 -26.348 -18.464 1.00 2.42 C ATOM 646 O GLY A 43 1.402 -27.562 -18.430 1.00 21.14 O ATOM 0 H GLY A 43 4.345 -25.775 -18.957 1.00 45.31 H new ATOM 0 HA2 GLY A 43 2.567 -24.753 -18.047 1.00 12.42 H new ATOM 0 HA3 GLY A 43 1.898 -24.719 -19.666 1.00 12.42 H new ATOM 650 N PRO A 44 0.024 -25.807 -18.125 1.00 14.42 N ATOM 651 CA PRO A 44 -0.225 -24.362 -18.162 1.00 23.33 C ATOM 652 C PRO A 44 0.541 -23.614 -17.076 1.00 23.52 C ATOM 653 O PRO A 44 0.564 -24.034 -15.918 1.00 61.11 O ATOM 654 CB PRO A 44 -1.733 -24.255 -17.922 1.00 62.53 C ATOM 655 CG PRO A 44 -2.086 -25.493 -17.172 1.00 60.44 C ATOM 656 CD PRO A 44 -1.158 -26.563 -17.679 1.00 34.12 C ATOM 0 HA PRO A 44 0.104 -23.916 -19.101 1.00 23.33 H new ATOM 0 HB2 PRO A 44 -1.980 -23.361 -17.349 1.00 62.53 H new ATOM 0 HB3 PRO A 44 -2.280 -24.192 -18.863 1.00 62.53 H new ATOM 0 HG2 PRO A 44 -1.964 -25.347 -16.099 1.00 60.44 H new ATOM 0 HG3 PRO A 44 -3.127 -25.768 -17.340 1.00 60.44 H new ATOM 0 HD2 PRO A 44 -0.905 -27.279 -16.897 1.00 34.12 H new ATOM 0 HD3 PRO A 44 -1.605 -27.128 -18.497 1.00 34.12 H new ATOM 664 N CYS A 45 1.166 -22.506 -17.456 1.00 45.02 N ATOM 665 CA CYS A 45 1.933 -21.699 -16.514 1.00 1.34 C ATOM 666 C CYS A 45 1.833 -20.217 -16.860 1.00 15.33 C ATOM 667 O CYS A 45 1.610 -19.851 -18.014 1.00 62.02 O ATOM 668 CB CYS A 45 3.399 -22.136 -16.510 1.00 53.31 C ATOM 669 SG CYS A 45 3.726 -23.613 -15.521 1.00 30.34 S ATOM 0 H CYS A 45 1.157 -22.145 -18.410 1.00 45.02 H new ATOM 0 HA CYS A 45 1.514 -21.851 -15.519 1.00 1.34 H new ATOM 0 HB2 CYS A 45 3.714 -22.322 -17.537 1.00 53.31 H new ATOM 0 HB3 CYS A 45 4.010 -21.316 -16.132 1.00 53.31 H new ATOM 0 HG CYS A 45 2.622 -24.280 -15.359 1.00 30.34 H new ATOM 675 N LYS A 46 1.996 -19.367 -15.852 1.00 1.33 N ATOM 676 CA LYS A 46 1.924 -17.924 -16.048 1.00 2.33 C ATOM 677 C LYS A 46 3.238 -17.384 -16.604 1.00 22.04 C ATOM 678 O LYS A 46 4.312 -17.908 -16.305 1.00 53.34 O ATOM 679 CB LYS A 46 1.591 -17.225 -14.727 1.00 45.15 C ATOM 680 CG LYS A 46 2.644 -17.425 -13.651 1.00 43.01 C ATOM 681 CD LYS A 46 2.135 -16.995 -12.286 1.00 12.32 C ATOM 682 CE LYS A 46 2.293 -15.496 -12.079 1.00 23.35 C ATOM 683 NZ LYS A 46 2.217 -15.124 -10.639 1.00 24.44 N ATOM 0 H LYS A 46 2.179 -19.653 -14.890 1.00 1.33 H new ATOM 0 HA LYS A 46 1.133 -17.720 -16.770 1.00 2.33 H new ATOM 0 HB2 LYS A 46 1.470 -16.158 -14.911 1.00 45.15 H new ATOM 0 HB3 LYS A 46 0.634 -17.596 -14.360 1.00 45.15 H new ATOM 0 HG2 LYS A 46 2.936 -18.475 -13.617 1.00 43.01 H new ATOM 0 HG3 LYS A 46 3.537 -16.853 -13.904 1.00 43.01 H new ATOM 0 HD2 LYS A 46 1.085 -17.269 -12.185 1.00 12.32 H new ATOM 0 HD3 LYS A 46 2.680 -17.530 -11.508 1.00 12.32 H new ATOM 0 HE2 LYS A 46 3.250 -15.172 -12.488 1.00 23.35 H new ATOM 0 HE3 LYS A 46 1.515 -14.969 -12.632 1.00 23.35 H new ATOM 0 HZ1 LYS A 46 2.329 -14.095 -10.540 1.00 24.44 H new ATOM 0 HZ2 LYS A 46 1.294 -15.410 -10.255 1.00 24.44 H new ATOM 0 HZ3 LYS A 46 2.975 -15.607 -10.115 1.00 24.44 H new ATOM 697 N VAL A 47 3.146 -16.333 -17.412 1.00 42.02 N ATOM 698 CA VAL A 47 4.328 -15.721 -18.008 1.00 11.01 C ATOM 699 C VAL A 47 4.531 -14.301 -17.492 1.00 13.12 C ATOM 700 O VAL A 47 3.996 -13.334 -18.035 1.00 35.12 O ATOM 701 CB VAL A 47 4.229 -15.688 -19.545 1.00 14.34 C ATOM 702 CG1 VAL A 47 5.484 -15.077 -20.148 1.00 2.11 C ATOM 703 CG2 VAL A 47 3.990 -17.086 -20.093 1.00 33.40 C ATOM 0 H VAL A 47 2.265 -15.887 -17.669 1.00 42.02 H new ATOM 0 HA VAL A 47 5.181 -16.335 -17.720 1.00 11.01 H new ATOM 0 HB VAL A 47 3.380 -15.063 -19.824 1.00 14.34 H new ATOM 0 HG11 VAL A 47 5.396 -15.062 -21.234 1.00 2.11 H new ATOM 0 HG12 VAL A 47 5.606 -14.058 -19.780 1.00 2.11 H new ATOM 0 HG13 VAL A 47 6.352 -15.672 -19.863 1.00 2.11 H new ATOM 0 HG21 VAL A 47 3.923 -17.044 -21.180 1.00 33.40 H new ATOM 0 HG22 VAL A 47 4.817 -17.736 -19.805 1.00 33.40 H new ATOM 0 HG23 VAL A 47 3.059 -17.482 -19.687 1.00 33.40 H new ATOM 713 N PRO A 48 5.323 -14.169 -16.417 1.00 73.24 N ATOM 714 CA PRO A 48 5.615 -12.870 -15.804 1.00 23.41 C ATOM 715 C PRO A 48 6.502 -11.999 -16.686 1.00 64.15 C ATOM 716 O PRO A 48 7.431 -12.491 -17.327 1.00 52.13 O ATOM 717 CB PRO A 48 6.348 -13.245 -14.513 1.00 51.21 C ATOM 718 CG PRO A 48 6.950 -14.579 -14.792 1.00 53.33 C ATOM 719 CD PRO A 48 5.994 -15.278 -15.719 1.00 22.20 C ATOM 0 HA PRO A 48 4.711 -12.283 -15.643 1.00 23.41 H new ATOM 0 HB2 PRO A 48 7.113 -12.510 -14.265 1.00 51.21 H new ATOM 0 HB3 PRO A 48 5.662 -13.289 -13.667 1.00 51.21 H new ATOM 0 HG2 PRO A 48 7.933 -14.475 -15.251 1.00 53.33 H new ATOM 0 HG3 PRO A 48 7.086 -15.146 -13.871 1.00 53.33 H new ATOM 0 HD2 PRO A 48 6.517 -15.934 -16.416 1.00 22.20 H new ATOM 0 HD3 PRO A 48 5.283 -15.897 -15.171 1.00 22.20 H new ATOM 727 N ALA A 49 6.211 -10.703 -16.715 1.00 13.25 N ATOM 728 CA ALA A 49 6.984 -9.763 -17.516 1.00 5.22 C ATOM 729 C ALA A 49 6.846 -8.341 -16.981 1.00 74.42 C ATOM 730 O ALA A 49 5.772 -7.941 -16.532 1.00 4.52 O ATOM 731 CB ALA A 49 6.548 -9.826 -18.972 1.00 33.11 C ATOM 0 H ALA A 49 5.444 -10.280 -16.192 1.00 13.25 H new ATOM 0 HA ALA A 49 8.034 -10.047 -17.450 1.00 5.22 H new ATOM 0 HB1 ALA A 49 7.134 -9.118 -19.558 1.00 33.11 H new ATOM 0 HB2 ALA A 49 6.706 -10.834 -19.356 1.00 33.11 H new ATOM 0 HB3 ALA A 49 5.491 -9.571 -19.047 1.00 33.11 H new ATOM 737 N GLN A 50 7.937 -7.585 -17.033 1.00 25.43 N ATOM 738 CA GLN A 50 7.937 -6.209 -16.551 1.00 34.33 C ATOM 739 C GLN A 50 9.273 -5.532 -16.836 1.00 12.31 C ATOM 740 O GLN A 50 10.298 -6.197 -16.982 1.00 1.45 O ATOM 741 CB GLN A 50 7.643 -6.172 -15.050 1.00 33.41 C ATOM 742 CG GLN A 50 6.969 -4.889 -14.593 1.00 40.53 C ATOM 743 CD GLN A 50 7.052 -4.688 -13.093 1.00 1.40 C ATOM 744 OE1 GLN A 50 6.053 -4.807 -12.383 1.00 23.33 O ATOM 745 NE2 GLN A 50 8.247 -4.380 -12.602 1.00 31.42 N ATOM 0 H GLN A 50 8.833 -7.902 -17.404 1.00 25.43 H new ATOM 0 HA GLN A 50 7.155 -5.665 -17.081 1.00 34.33 H new ATOM 0 HB2 GLN A 50 7.007 -7.019 -14.792 1.00 33.41 H new ATOM 0 HB3 GLN A 50 8.577 -6.297 -14.502 1.00 33.41 H new ATOM 0 HG2 GLN A 50 7.433 -4.040 -15.096 1.00 40.53 H new ATOM 0 HG3 GLN A 50 5.922 -4.905 -14.896 1.00 40.53 H new ATOM 0 HE21 GLN A 50 9.048 -4.292 -13.227 1.00 31.42 H new ATOM 0 HE22 GLN A 50 8.364 -4.232 -11.600 1.00 31.42 H new ATOM 754 N MET A 51 9.253 -4.205 -16.915 1.00 21.23 N ATOM 755 CA MET A 51 10.464 -3.438 -17.181 1.00 43.22 C ATOM 756 C MET A 51 10.997 -2.801 -15.902 1.00 12.25 C ATOM 757 O MET A 51 10.304 -2.755 -14.885 1.00 41.45 O ATOM 758 CB MET A 51 10.188 -2.356 -18.227 1.00 3.32 C ATOM 759 CG MET A 51 10.459 -2.806 -19.653 1.00 51.22 C ATOM 760 SD MET A 51 9.367 -2.014 -20.850 1.00 63.33 S ATOM 761 CE MET A 51 10.562 -1.302 -21.979 1.00 21.12 C ATOM 0 H MET A 51 8.412 -3.639 -16.799 1.00 21.23 H new ATOM 0 HA MET A 51 11.220 -4.122 -17.567 1.00 43.22 H new ATOM 0 HB2 MET A 51 9.148 -2.041 -18.146 1.00 3.32 H new ATOM 0 HB3 MET A 51 10.804 -1.484 -18.007 1.00 3.32 H new ATOM 0 HG2 MET A 51 11.495 -2.584 -19.909 1.00 51.22 H new ATOM 0 HG3 MET A 51 10.339 -3.887 -19.718 1.00 51.22 H new ATOM 0 HE1 MET A 51 10.581 -0.219 -21.853 1.00 21.12 H new ATOM 0 HE2 MET A 51 11.551 -1.709 -21.767 1.00 21.12 H new ATOM 0 HE3 MET A 51 10.282 -1.543 -23.005 1.00 21.12 H new ATOM 771 N ALA A 52 12.231 -2.311 -15.959 1.00 21.53 N ATOM 772 CA ALA A 52 12.856 -1.677 -14.805 1.00 34.15 C ATOM 773 C ALA A 52 14.213 -1.086 -15.170 1.00 53.24 C ATOM 774 O ALA A 52 14.945 -1.645 -15.987 1.00 51.22 O ATOM 775 CB ALA A 52 13.003 -2.678 -13.668 1.00 13.43 C ATOM 0 H ALA A 52 12.818 -2.341 -16.793 1.00 21.53 H new ATOM 0 HA ALA A 52 12.211 -0.862 -14.477 1.00 34.15 H new ATOM 0 HB1 ALA A 52 13.471 -2.191 -12.813 1.00 13.43 H new ATOM 0 HB2 ALA A 52 12.019 -3.049 -13.381 1.00 13.43 H new ATOM 0 HB3 ALA A 52 13.624 -3.512 -13.995 1.00 13.43 H new ATOM 781 N VAL A 53 14.543 0.049 -14.561 1.00 75.24 N ATOM 782 CA VAL A 53 15.812 0.716 -14.823 1.00 24.42 C ATOM 783 C VAL A 53 16.812 0.453 -13.702 1.00 12.42 C ATOM 784 O VAL A 53 18.009 0.304 -13.946 1.00 42.00 O ATOM 785 CB VAL A 53 15.625 2.236 -14.984 1.00 3.05 C ATOM 786 CG1 VAL A 53 16.938 2.897 -15.374 1.00 41.45 C ATOM 787 CG2 VAL A 53 14.543 2.534 -16.010 1.00 34.42 C ATOM 0 H VAL A 53 13.948 0.525 -13.883 1.00 75.24 H new ATOM 0 HA VAL A 53 16.199 0.305 -15.755 1.00 24.42 H new ATOM 0 HB VAL A 53 15.308 2.649 -14.026 1.00 3.05 H new ATOM 0 HG11 VAL A 53 16.786 3.971 -15.483 1.00 41.45 H new ATOM 0 HG12 VAL A 53 17.682 2.713 -14.599 1.00 41.45 H new ATOM 0 HG13 VAL A 53 17.288 2.482 -16.319 1.00 41.45 H new ATOM 0 HG21 VAL A 53 14.424 3.613 -16.111 1.00 34.42 H new ATOM 0 HG22 VAL A 53 14.827 2.109 -16.973 1.00 34.42 H new ATOM 0 HG23 VAL A 53 13.601 2.094 -15.683 1.00 34.42 H new ATOM 797 N ASP A 54 16.312 0.398 -12.472 1.00 40.02 N ATOM 798 CA ASP A 54 17.161 0.151 -11.312 1.00 73.13 C ATOM 799 C ASP A 54 16.808 -1.180 -10.655 1.00 5.10 C ATOM 800 O ASP A 54 15.762 -1.764 -10.935 1.00 63.14 O ATOM 801 CB ASP A 54 17.019 1.288 -10.299 1.00 24.32 C ATOM 802 CG ASP A 54 17.500 2.616 -10.848 1.00 41.34 C ATOM 803 OD1 ASP A 54 18.114 2.622 -11.936 1.00 62.30 O ATOM 804 OD2 ASP A 54 17.261 3.651 -10.191 1.00 64.14 O ATOM 0 H ASP A 54 15.323 0.521 -12.253 1.00 40.02 H new ATOM 0 HA ASP A 54 18.196 0.105 -11.652 1.00 73.13 H new ATOM 0 HB2 ASP A 54 15.974 1.378 -10.002 1.00 24.32 H new ATOM 0 HB3 ASP A 54 17.585 1.043 -9.401 1.00 24.32 H new ATOM 809 N MET A 55 17.690 -1.653 -9.780 1.00 72.41 N ATOM 810 CA MET A 55 17.470 -2.915 -9.082 1.00 4.44 C ATOM 811 C MET A 55 17.085 -2.670 -7.626 1.00 61.10 C ATOM 812 O MET A 55 16.265 -3.394 -7.062 1.00 63.43 O ATOM 813 CB MET A 55 18.727 -3.785 -9.149 1.00 72.04 C ATOM 814 CG MET A 55 19.942 -3.150 -8.494 1.00 3.20 C ATOM 815 SD MET A 55 20.253 -3.791 -6.838 1.00 22.32 S ATOM 816 CE MET A 55 20.973 -5.386 -7.222 1.00 50.20 C ATOM 0 H MET A 55 18.562 -1.183 -9.538 1.00 72.41 H new ATOM 0 HA MET A 55 16.649 -3.436 -9.575 1.00 4.44 H new ATOM 0 HB2 MET A 55 18.523 -4.741 -8.667 1.00 72.04 H new ATOM 0 HB3 MET A 55 18.957 -3.997 -10.193 1.00 72.04 H new ATOM 0 HG2 MET A 55 20.819 -3.325 -9.118 1.00 3.20 H new ATOM 0 HG3 MET A 55 19.799 -2.071 -8.441 1.00 3.20 H new ATOM 0 HE1 MET A 55 21.301 -5.868 -6.301 1.00 50.20 H new ATOM 0 HE2 MET A 55 20.229 -6.012 -7.714 1.00 50.20 H new ATOM 0 HE3 MET A 55 21.828 -5.249 -7.885 1.00 50.20 H new ATOM 826 N GLN A 56 17.682 -1.646 -7.025 1.00 30.15 N ATOM 827 CA GLN A 56 17.402 -1.309 -5.634 1.00 11.11 C ATOM 828 C GLN A 56 15.927 -0.970 -5.442 1.00 44.44 C ATOM 829 O GLN A 56 15.331 -1.299 -4.416 1.00 60.15 O ATOM 830 CB GLN A 56 18.270 -0.131 -5.188 1.00 25.53 C ATOM 831 CG GLN A 56 19.757 -0.349 -5.421 1.00 32.45 C ATOM 832 CD GLN A 56 20.615 0.683 -4.716 1.00 63.41 C ATOM 833 OE1 GLN A 56 20.105 1.559 -4.017 1.00 63.22 O ATOM 834 NE2 GLN A 56 21.927 0.584 -4.896 1.00 43.22 N ATOM 0 H GLN A 56 18.362 -1.036 -7.479 1.00 30.15 H new ATOM 0 HA GLN A 56 17.639 -2.179 -5.021 1.00 11.11 H new ATOM 0 HB2 GLN A 56 17.954 0.765 -5.722 1.00 25.53 H new ATOM 0 HB3 GLN A 56 18.100 0.054 -4.127 1.00 25.53 H new ATOM 0 HG2 GLN A 56 20.033 -1.344 -5.073 1.00 32.45 H new ATOM 0 HG3 GLN A 56 19.962 -0.317 -6.491 1.00 32.45 H new ATOM 0 HE21 GLN A 56 22.307 -0.158 -5.484 1.00 43.22 H new ATOM 0 HE22 GLN A 56 22.555 1.250 -4.446 1.00 43.22 H new ATOM 843 N THR A 57 15.343 -0.308 -6.437 1.00 23.12 N ATOM 844 CA THR A 57 13.939 0.079 -6.377 1.00 24.52 C ATOM 845 C THR A 57 13.100 -0.749 -7.343 1.00 54.34 C ATOM 846 O THR A 57 12.045 -1.268 -6.977 1.00 75.43 O ATOM 847 CB THR A 57 13.754 1.573 -6.702 1.00 73.44 C ATOM 848 OG1 THR A 57 14.248 1.853 -8.017 1.00 22.33 O ATOM 849 CG2 THR A 57 14.479 2.442 -5.686 1.00 72.03 C ATOM 0 H THR A 57 15.821 -0.029 -7.294 1.00 23.12 H new ATOM 0 HA THR A 57 13.602 -0.107 -5.357 1.00 24.52 H new ATOM 0 HB THR A 57 12.689 1.803 -6.658 1.00 73.44 H new ATOM 0 HG1 THR A 57 14.125 2.805 -8.217 1.00 22.33 H new ATOM 0 HG21 THR A 57 14.334 3.493 -5.937 1.00 72.03 H new ATOM 0 HG22 THR A 57 14.080 2.248 -4.690 1.00 72.03 H new ATOM 0 HG23 THR A 57 15.544 2.209 -5.702 1.00 72.03 H new ATOM 857 N LEU A 58 13.574 -0.868 -8.579 1.00 34.04 N ATOM 858 CA LEU A 58 12.866 -1.634 -9.599 1.00 10.20 C ATOM 859 C LEU A 58 11.423 -1.159 -9.733 1.00 34.12 C ATOM 860 O LEU A 58 10.514 -1.957 -9.965 1.00 54.11 O ATOM 861 CB LEU A 58 12.895 -3.125 -9.257 1.00 40.45 C ATOM 862 CG LEU A 58 12.868 -4.086 -10.446 1.00 61.12 C ATOM 863 CD1 LEU A 58 14.281 -4.481 -10.845 1.00 44.14 C ATOM 864 CD2 LEU A 58 12.041 -5.320 -10.116 1.00 10.15 C ATOM 0 H LEU A 58 14.445 -0.444 -8.899 1.00 34.04 H new ATOM 0 HA LEU A 58 13.371 -1.476 -10.552 1.00 10.20 H new ATOM 0 HB2 LEU A 58 13.793 -3.326 -8.673 1.00 40.45 H new ATOM 0 HB3 LEU A 58 12.042 -3.347 -8.616 1.00 40.45 H new ATOM 0 HG LEU A 58 12.403 -3.576 -11.290 1.00 61.12 H new ATOM 0 HD11 LEU A 58 14.242 -5.165 -11.693 1.00 44.14 H new ATOM 0 HD12 LEU A 58 14.843 -3.590 -11.124 1.00 44.14 H new ATOM 0 HD13 LEU A 58 14.772 -4.972 -10.005 1.00 44.14 H new ATOM 0 HD21 LEU A 58 12.033 -5.993 -10.974 1.00 10.15 H new ATOM 0 HD22 LEU A 58 12.477 -5.831 -9.258 1.00 10.15 H new ATOM 0 HD23 LEU A 58 11.020 -5.021 -9.880 1.00 10.15 H new ATOM 876 N THR A 59 11.218 0.146 -9.587 1.00 3.53 N ATOM 877 CA THR A 59 9.886 0.728 -9.692 1.00 42.12 C ATOM 878 C THR A 59 9.193 0.286 -10.976 1.00 63.00 C ATOM 879 O THR A 59 9.823 0.101 -12.018 1.00 11.12 O ATOM 880 CB THR A 59 9.941 2.267 -9.656 1.00 13.15 C ATOM 881 OG1 THR A 59 8.686 2.812 -10.079 1.00 31.13 O ATOM 882 CG2 THR A 59 11.054 2.791 -10.550 1.00 61.41 C ATOM 0 H THR A 59 11.959 0.821 -9.395 1.00 3.53 H new ATOM 0 HA THR A 59 9.317 0.372 -8.833 1.00 42.12 H new ATOM 0 HB THR A 59 10.145 2.577 -8.631 1.00 13.15 H new ATOM 0 HG1 THR A 59 8.729 3.791 -10.052 1.00 31.13 H new ATOM 0 HG21 THR A 59 11.072 3.880 -10.508 1.00 61.41 H new ATOM 0 HG22 THR A 59 12.011 2.398 -10.207 1.00 61.41 H new ATOM 0 HG23 THR A 59 10.877 2.471 -11.577 1.00 61.41 H new ATOM 890 N PRO A 60 7.865 0.112 -10.903 1.00 3.30 N ATOM 891 CA PRO A 60 7.058 -0.309 -12.052 1.00 13.33 C ATOM 892 C PRO A 60 6.956 0.777 -13.118 1.00 33.14 C ATOM 893 O PRO A 60 6.529 1.897 -12.838 1.00 44.51 O ATOM 894 CB PRO A 60 5.683 -0.585 -11.437 1.00 24.12 C ATOM 895 CG PRO A 60 5.639 0.262 -10.212 1.00 22.42 C ATOM 896 CD PRO A 60 7.050 0.314 -9.694 1.00 12.14 C ATOM 0 HA PRO A 60 7.493 -1.168 -12.563 1.00 13.33 H new ATOM 0 HB2 PRO A 60 4.881 -0.324 -12.128 1.00 24.12 H new ATOM 0 HB3 PRO A 60 5.563 -1.641 -11.193 1.00 24.12 H new ATOM 0 HG2 PRO A 60 5.270 1.262 -10.442 1.00 22.42 H new ATOM 0 HG3 PRO A 60 4.965 -0.163 -9.468 1.00 22.42 H new ATOM 0 HD2 PRO A 60 7.268 1.270 -9.217 1.00 12.14 H new ATOM 0 HD3 PRO A 60 7.234 -0.462 -8.951 1.00 12.14 H new ATOM 904 N VAL A 61 7.349 0.437 -14.341 1.00 42.41 N ATOM 905 CA VAL A 61 7.300 1.383 -15.450 1.00 32.20 C ATOM 906 C VAL A 61 6.299 0.936 -16.509 1.00 73.52 C ATOM 907 O VAL A 61 6.008 -0.253 -16.641 1.00 50.53 O ATOM 908 CB VAL A 61 8.683 1.552 -16.106 1.00 22.24 C ATOM 909 CG1 VAL A 61 9.600 2.375 -15.214 1.00 51.40 C ATOM 910 CG2 VAL A 61 9.299 0.194 -16.407 1.00 73.34 C ATOM 0 H VAL A 61 7.705 -0.486 -14.589 1.00 42.41 H new ATOM 0 HA VAL A 61 6.984 2.340 -15.035 1.00 32.20 H new ATOM 0 HB VAL A 61 8.556 2.086 -17.048 1.00 22.24 H new ATOM 0 HG11 VAL A 61 10.573 2.484 -15.694 1.00 51.40 H new ATOM 0 HG12 VAL A 61 9.163 3.360 -15.053 1.00 51.40 H new ATOM 0 HG13 VAL A 61 9.723 1.871 -14.255 1.00 51.40 H new ATOM 0 HG21 VAL A 61 10.276 0.332 -16.870 1.00 73.34 H new ATOM 0 HG22 VAL A 61 9.413 -0.367 -15.480 1.00 73.34 H new ATOM 0 HG23 VAL A 61 8.650 -0.357 -17.087 1.00 73.34 H new ATOM 920 N GLY A 62 5.774 1.897 -17.263 1.00 70.24 N ATOM 921 CA GLY A 62 4.812 1.582 -18.303 1.00 34.11 C ATOM 922 C GLY A 62 3.532 0.989 -17.748 1.00 14.32 C ATOM 923 O GLY A 62 3.447 0.680 -16.559 1.00 43.21 O ATOM 0 H GLY A 62 5.998 2.888 -17.172 1.00 70.24 H new ATOM 0 HA2 GLY A 62 4.577 2.487 -18.862 1.00 34.11 H new ATOM 0 HA3 GLY A 62 5.259 0.880 -19.007 1.00 34.11 H new ATOM 927 N ARG A 63 2.532 0.832 -18.609 1.00 70.23 N ATOM 928 CA ARG A 63 1.249 0.274 -18.198 1.00 2.54 C ATOM 929 C ARG A 63 1.030 -1.102 -18.819 1.00 10.12 C ATOM 930 O ARG A 63 1.480 -1.371 -19.933 1.00 44.12 O ATOM 931 CB ARG A 63 0.109 1.213 -18.597 1.00 4.41 C ATOM 932 CG ARG A 63 -1.214 0.886 -17.924 1.00 25.21 C ATOM 933 CD ARG A 63 -1.246 1.384 -16.487 1.00 71.34 C ATOM 934 NE ARG A 63 -2.605 1.428 -15.954 1.00 51.13 N ATOM 935 CZ ARG A 63 -2.884 1.507 -14.658 1.00 23.01 C ATOM 936 NH1 ARG A 63 -1.903 1.550 -13.767 1.00 44.30 N ATOM 937 NH2 ARG A 63 -4.146 1.543 -14.250 1.00 41.23 N ATOM 0 H ARG A 63 2.585 1.083 -19.596 1.00 70.23 H new ATOM 0 HA ARG A 63 1.259 0.166 -17.113 1.00 2.54 H new ATOM 0 HB2 ARG A 63 0.389 2.237 -18.349 1.00 4.41 H new ATOM 0 HB3 ARG A 63 -0.023 1.171 -19.678 1.00 4.41 H new ATOM 0 HG2 ARG A 63 -2.031 1.339 -18.486 1.00 25.21 H new ATOM 0 HG3 ARG A 63 -1.375 -0.192 -17.940 1.00 25.21 H new ATOM 0 HD2 ARG A 63 -0.633 0.733 -15.864 1.00 71.34 H new ATOM 0 HD3 ARG A 63 -0.805 2.380 -16.438 1.00 71.34 H new ATOM 0 HE ARG A 63 -3.383 1.396 -16.613 1.00 51.13 H new ATOM 0 HH11 ARG A 63 -0.931 1.522 -14.076 1.00 44.30 H new ATOM 0 HH12 ARG A 63 -2.120 1.611 -12.772 1.00 44.30 H new ATOM 0 HH21 ARG A 63 -4.904 1.510 -14.932 1.00 41.23 H new ATOM 0 HH22 ARG A 63 -4.359 1.604 -13.254 1.00 41.23 H new ATOM 951 N LEU A 64 0.336 -1.970 -18.091 1.00 2.12 N ATOM 952 CA LEU A 64 0.056 -3.319 -18.570 1.00 54.24 C ATOM 953 C LEU A 64 -1.132 -3.320 -19.528 1.00 30.45 C ATOM 954 O LEU A 64 -2.134 -2.646 -19.289 1.00 53.14 O ATOM 955 CB LEU A 64 -0.224 -4.253 -17.391 1.00 44.45 C ATOM 956 CG LEU A 64 -1.514 -3.987 -16.615 1.00 40.45 C ATOM 957 CD1 LEU A 64 -2.670 -4.770 -17.218 1.00 12.41 C ATOM 958 CD2 LEU A 64 -1.336 -4.341 -15.146 1.00 45.03 C ATOM 0 H LEU A 64 -0.043 -1.764 -17.167 1.00 2.12 H new ATOM 0 HA LEU A 64 0.934 -3.677 -19.108 1.00 54.24 H new ATOM 0 HB2 LEU A 64 -0.252 -5.277 -17.764 1.00 44.45 H new ATOM 0 HB3 LEU A 64 0.614 -4.190 -16.696 1.00 44.45 H new ATOM 0 HG LEU A 64 -1.746 -2.924 -16.686 1.00 40.45 H new ATOM 0 HD11 LEU A 64 -3.580 -4.568 -16.653 1.00 12.41 H new ATOM 0 HD12 LEU A 64 -2.813 -4.467 -18.255 1.00 12.41 H new ATOM 0 HD13 LEU A 64 -2.447 -5.836 -17.179 1.00 12.41 H new ATOM 0 HD21 LEU A 64 -2.264 -4.145 -14.609 1.00 45.03 H new ATOM 0 HD22 LEU A 64 -1.080 -5.397 -15.055 1.00 45.03 H new ATOM 0 HD23 LEU A 64 -0.536 -3.735 -14.720 1.00 45.03 H new ATOM 970 N ILE A 65 -1.013 -4.084 -20.609 1.00 0.34 N ATOM 971 CA ILE A 65 -2.078 -4.175 -21.600 1.00 1.13 C ATOM 972 C ILE A 65 -2.756 -5.540 -21.553 1.00 54.24 C ATOM 973 O ILE A 65 -3.975 -5.645 -21.694 1.00 34.24 O ATOM 974 CB ILE A 65 -1.545 -3.927 -23.023 1.00 62.22 C ATOM 975 CG1 ILE A 65 -0.886 -2.549 -23.112 1.00 22.12 C ATOM 976 CG2 ILE A 65 -2.671 -4.048 -24.039 1.00 21.20 C ATOM 977 CD1 ILE A 65 0.581 -2.556 -22.743 1.00 1.14 C ATOM 0 H ILE A 65 -0.190 -4.648 -20.821 1.00 0.34 H new ATOM 0 HA ILE A 65 -2.806 -3.402 -21.354 1.00 1.13 H new ATOM 0 HB ILE A 65 -0.794 -4.683 -23.250 1.00 62.22 H new ATOM 0 HG12 ILE A 65 -0.995 -2.168 -24.127 1.00 22.12 H new ATOM 0 HG13 ILE A 65 -1.415 -1.859 -22.454 1.00 22.12 H new ATOM 0 HG21 ILE A 65 -2.278 -3.870 -25.040 1.00 21.20 H new ATOM 0 HG22 ILE A 65 -3.099 -5.049 -23.990 1.00 21.20 H new ATOM 0 HG23 ILE A 65 -3.443 -3.312 -23.816 1.00 21.20 H new ATOM 0 HD11 ILE A 65 0.983 -1.546 -22.829 1.00 1.14 H new ATOM 0 HD12 ILE A 65 0.697 -2.907 -21.717 1.00 1.14 H new ATOM 0 HD13 ILE A 65 1.122 -3.220 -23.417 1.00 1.14 H new ATOM 989 N THR A 66 -1.959 -6.585 -21.354 1.00 0.31 N ATOM 990 CA THR A 66 -2.482 -7.943 -21.287 1.00 62.54 C ATOM 991 C THR A 66 -3.196 -8.194 -19.964 1.00 42.30 C ATOM 992 O THR A 66 -2.981 -7.477 -18.987 1.00 54.11 O ATOM 993 CB THR A 66 -1.361 -8.986 -21.458 1.00 4.20 C ATOM 994 OG1 THR A 66 -0.169 -8.350 -21.935 1.00 33.31 O ATOM 995 CG2 THR A 66 -1.781 -10.079 -22.428 1.00 73.32 C ATOM 0 H THR A 66 -0.948 -6.516 -21.236 1.00 0.31 H new ATOM 0 HA THR A 66 -3.194 -8.047 -22.106 1.00 62.54 H new ATOM 0 HB THR A 66 -1.167 -9.440 -20.486 1.00 4.20 H new ATOM 0 HG1 THR A 66 0.539 -9.019 -22.040 1.00 33.31 H new ATOM 0 HG21 THR A 66 -0.973 -10.803 -22.532 1.00 73.32 H new ATOM 0 HG22 THR A 66 -2.671 -10.580 -22.048 1.00 73.32 H new ATOM 0 HG23 THR A 66 -2.000 -9.638 -23.400 1.00 73.32 H new ATOM 1003 N ALA A 67 -4.045 -9.216 -19.939 1.00 41.22 N ATOM 1004 CA ALA A 67 -4.787 -9.563 -18.734 1.00 33.02 C ATOM 1005 C ALA A 67 -4.067 -10.646 -17.938 1.00 4.11 C ATOM 1006 O ALA A 67 -3.729 -10.451 -16.771 1.00 54.21 O ATOM 1007 CB ALA A 67 -6.194 -10.017 -19.093 1.00 72.41 C ATOM 0 H ALA A 67 -4.236 -9.818 -20.740 1.00 41.22 H new ATOM 0 HA ALA A 67 -4.852 -8.672 -18.109 1.00 33.02 H new ATOM 0 HB1 ALA A 67 -6.737 -10.273 -18.183 1.00 72.41 H new ATOM 0 HB2 ALA A 67 -6.715 -9.212 -19.612 1.00 72.41 H new ATOM 0 HB3 ALA A 67 -6.140 -10.891 -19.741 1.00 72.41 H new ATOM 1013 N ASN A 68 -3.834 -11.788 -18.577 1.00 54.10 N ATOM 1014 CA ASN A 68 -3.155 -12.903 -17.927 1.00 53.01 C ATOM 1015 C ASN A 68 -2.931 -14.049 -18.908 1.00 65.44 C ATOM 1016 O ASN A 68 -3.586 -15.090 -18.847 1.00 0.23 O ATOM 1017 CB ASN A 68 -3.970 -13.395 -16.729 1.00 3.32 C ATOM 1018 CG ASN A 68 -3.364 -14.627 -16.084 1.00 42.54 C ATOM 1019 OD1 ASN A 68 -2.193 -14.630 -15.705 1.00 44.11 O ATOM 1020 ND2 ASN A 68 -4.161 -15.681 -15.958 1.00 13.20 N ATOM 0 H ASN A 68 -4.105 -11.965 -19.544 1.00 54.10 H new ATOM 0 HA ASN A 68 -2.184 -12.551 -17.578 1.00 53.01 H new ATOM 0 HB2 ASN A 68 -4.040 -12.598 -15.989 1.00 3.32 H new ATOM 0 HB3 ASN A 68 -4.986 -13.620 -17.052 1.00 3.32 H new ATOM 0 HD21 ASN A 68 -3.809 -16.539 -15.533 1.00 13.20 H new ATOM 0 HD22 ASN A 68 -5.125 -15.633 -16.287 1.00 13.20 H new ATOM 1027 N PRO A 69 -1.981 -13.857 -19.836 1.00 52.41 N ATOM 1028 CA PRO A 69 -1.647 -14.863 -20.848 1.00 74.31 C ATOM 1029 C PRO A 69 -0.952 -16.080 -20.248 1.00 24.21 C ATOM 1030 O PRO A 69 0.115 -15.963 -19.644 1.00 71.11 O ATOM 1031 CB PRO A 69 -0.701 -14.117 -21.792 1.00 24.34 C ATOM 1032 CG PRO A 69 -0.097 -13.044 -20.952 1.00 72.44 C ATOM 1033 CD PRO A 69 -1.160 -12.641 -19.968 1.00 72.42 C ATOM 0 HA PRO A 69 -2.536 -15.258 -21.339 1.00 74.31 H new ATOM 0 HB2 PRO A 69 0.063 -14.782 -22.194 1.00 24.34 H new ATOM 0 HB3 PRO A 69 -1.239 -13.698 -22.643 1.00 24.34 H new ATOM 0 HG2 PRO A 69 0.794 -13.406 -20.438 1.00 72.44 H new ATOM 0 HG3 PRO A 69 0.210 -12.196 -21.564 1.00 72.44 H new ATOM 0 HD2 PRO A 69 -0.730 -12.341 -19.012 1.00 72.42 H new ATOM 0 HD3 PRO A 69 -1.746 -11.798 -20.333 1.00 72.42 H new ATOM 1041 N VAL A 70 -1.562 -17.249 -20.418 1.00 43.21 N ATOM 1042 CA VAL A 70 -1.000 -18.488 -19.894 1.00 61.01 C ATOM 1043 C VAL A 70 -0.679 -19.465 -21.020 1.00 30.04 C ATOM 1044 O VAL A 70 -1.169 -19.319 -22.140 1.00 63.20 O ATOM 1045 CB VAL A 70 -1.963 -19.165 -18.901 1.00 2.14 C ATOM 1046 CG1 VAL A 70 -2.324 -18.210 -17.773 1.00 33.43 C ATOM 1047 CG2 VAL A 70 -3.212 -19.653 -19.618 1.00 51.43 C ATOM 0 H VAL A 70 -2.446 -17.364 -20.915 1.00 43.21 H new ATOM 0 HA VAL A 70 -0.080 -18.223 -19.373 1.00 61.01 H new ATOM 0 HB VAL A 70 -1.461 -20.030 -18.467 1.00 2.14 H new ATOM 0 HG11 VAL A 70 -3.005 -18.705 -17.081 1.00 33.43 H new ATOM 0 HG12 VAL A 70 -1.419 -17.915 -17.242 1.00 33.43 H new ATOM 0 HG13 VAL A 70 -2.807 -17.325 -18.186 1.00 33.43 H new ATOM 0 HG21 VAL A 70 -3.881 -20.129 -18.901 1.00 51.43 H new ATOM 0 HG22 VAL A 70 -3.719 -18.807 -20.082 1.00 51.43 H new ATOM 0 HG23 VAL A 70 -2.932 -20.374 -20.386 1.00 51.43 H new ATOM 1057 N ILE A 71 0.146 -20.461 -20.714 1.00 13.11 N ATOM 1058 CA ILE A 71 0.530 -21.464 -21.699 1.00 41.35 C ATOM 1059 C ILE A 71 -0.584 -22.483 -21.910 1.00 32.33 C ATOM 1060 O ILE A 71 -1.267 -22.878 -20.964 1.00 13.31 O ATOM 1061 CB ILE A 71 1.814 -22.203 -21.279 1.00 43.33 C ATOM 1062 CG1 ILE A 71 2.895 -21.200 -20.868 1.00 75.04 C ATOM 1063 CG2 ILE A 71 2.310 -23.089 -22.412 1.00 70.01 C ATOM 1064 CD1 ILE A 71 3.246 -20.210 -21.957 1.00 71.31 C ATOM 0 H ILE A 71 0.561 -20.595 -19.792 1.00 13.11 H new ATOM 0 HA ILE A 71 0.715 -20.934 -22.633 1.00 41.35 H new ATOM 0 HB ILE A 71 1.587 -22.836 -20.421 1.00 43.33 H new ATOM 0 HG12 ILE A 71 2.557 -20.654 -19.987 1.00 75.04 H new ATOM 0 HG13 ILE A 71 3.794 -21.745 -20.580 1.00 75.04 H new ATOM 0 HG21 ILE A 71 3.218 -23.605 -22.100 1.00 70.01 H new ATOM 0 HG22 ILE A 71 1.544 -23.823 -22.662 1.00 70.01 H new ATOM 0 HG23 ILE A 71 2.524 -22.475 -23.287 1.00 70.01 H new ATOM 0 HD11 ILE A 71 4.018 -19.530 -21.596 1.00 71.31 H new ATOM 0 HD12 ILE A 71 3.615 -20.746 -22.831 1.00 71.31 H new ATOM 0 HD13 ILE A 71 2.358 -19.639 -22.229 1.00 71.31 H new ATOM 1076 N THR A 72 -0.762 -22.909 -23.157 1.00 11.14 N ATOM 1077 CA THR A 72 -1.792 -23.884 -23.492 1.00 11.03 C ATOM 1078 C THR A 72 -1.206 -25.059 -24.266 1.00 40.34 C ATOM 1079 O THR A 72 -1.500 -26.216 -23.971 1.00 62.51 O ATOM 1080 CB THR A 72 -2.920 -23.246 -24.325 1.00 1.14 C ATOM 1081 OG1 THR A 72 -2.367 -22.334 -25.280 1.00 54.31 O ATOM 1082 CG2 THR A 72 -3.907 -22.513 -23.428 1.00 65.20 C ATOM 0 H THR A 72 -0.206 -22.594 -23.952 1.00 11.14 H new ATOM 0 HA THR A 72 -2.205 -24.243 -22.550 1.00 11.03 H new ATOM 0 HB THR A 72 -3.451 -24.042 -24.848 1.00 1.14 H new ATOM 0 HG1 THR A 72 -3.090 -21.934 -25.807 1.00 54.31 H new ATOM 0 HG21 THR A 72 -4.694 -22.071 -24.038 1.00 65.20 H new ATOM 0 HG22 THR A 72 -4.348 -23.216 -22.721 1.00 65.20 H new ATOM 0 HG23 THR A 72 -3.387 -21.726 -22.881 1.00 65.20 H new ATOM 1090 N GLU A 73 -0.375 -24.752 -25.258 1.00 75.32 N ATOM 1091 CA GLU A 73 0.251 -25.785 -26.075 1.00 43.33 C ATOM 1092 C GLU A 73 0.949 -26.822 -25.200 1.00 44.13 C ATOM 1093 O GLU A 73 1.203 -26.584 -24.020 1.00 2.25 O ATOM 1094 CB GLU A 73 1.257 -25.159 -27.044 1.00 73.03 C ATOM 1095 CG GLU A 73 0.610 -24.504 -28.254 1.00 22.45 C ATOM 1096 CD GLU A 73 -0.238 -25.471 -29.056 1.00 73.33 C ATOM 1097 OE1 GLU A 73 0.335 -26.236 -29.860 1.00 71.31 O ATOM 1098 OE2 GLU A 73 -1.475 -25.463 -28.881 1.00 44.14 O ATOM 0 H GLU A 73 -0.120 -23.798 -25.515 1.00 75.32 H new ATOM 0 HA GLU A 73 -0.531 -26.285 -26.646 1.00 43.33 H new ATOM 0 HB2 GLU A 73 1.848 -24.414 -26.511 1.00 73.03 H new ATOM 0 HB3 GLU A 73 1.948 -25.930 -27.385 1.00 73.03 H new ATOM 0 HG2 GLU A 73 -0.010 -23.671 -27.923 1.00 22.45 H new ATOM 0 HG3 GLU A 73 1.386 -24.088 -28.896 1.00 22.45 H new ATOM 1105 N SER A 74 1.256 -27.974 -25.789 1.00 4.44 N ATOM 1106 CA SER A 74 1.922 -29.049 -25.063 1.00 2.01 C ATOM 1107 C SER A 74 3.346 -29.249 -25.574 1.00 74.41 C ATOM 1108 O SER A 74 4.261 -29.536 -24.802 1.00 44.51 O ATOM 1109 CB SER A 74 1.131 -30.351 -25.200 1.00 30.24 C ATOM 1110 OG SER A 74 0.679 -30.536 -26.530 1.00 30.01 O ATOM 0 H SER A 74 1.054 -28.186 -26.766 1.00 4.44 H new ATOM 0 HA SER A 74 1.969 -28.769 -24.011 1.00 2.01 H new ATOM 0 HB2 SER A 74 1.757 -31.193 -24.905 1.00 30.24 H new ATOM 0 HB3 SER A 74 0.278 -30.335 -24.522 1.00 30.24 H new ATOM 0 HG SER A 74 0.178 -31.376 -26.591 1.00 30.01 H new ATOM 1116 N THR A 75 3.525 -29.097 -26.883 1.00 33.03 N ATOM 1117 CA THR A 75 4.835 -29.261 -27.499 1.00 21.30 C ATOM 1118 C THR A 75 5.883 -28.404 -26.799 1.00 24.54 C ATOM 1119 O THR A 75 5.608 -27.273 -26.401 1.00 32.35 O ATOM 1120 CB THR A 75 4.803 -28.893 -28.994 1.00 52.13 C ATOM 1121 OG1 THR A 75 6.136 -28.840 -29.515 1.00 32.03 O ATOM 1122 CG2 THR A 75 4.117 -27.552 -29.206 1.00 54.15 C ATOM 0 H THR A 75 2.778 -28.860 -27.536 1.00 33.03 H new ATOM 0 HA THR A 75 5.102 -30.313 -27.397 1.00 21.30 H new ATOM 0 HB THR A 75 4.238 -29.661 -29.522 1.00 52.13 H new ATOM 0 HG1 THR A 75 6.106 -28.607 -30.466 1.00 32.03 H new ATOM 0 HG21 THR A 75 4.106 -27.313 -30.269 1.00 54.15 H new ATOM 0 HG22 THR A 75 3.093 -27.604 -28.835 1.00 54.15 H new ATOM 0 HG23 THR A 75 4.659 -26.776 -28.665 1.00 54.15 H new ATOM 1130 N GLU A 76 7.086 -28.951 -26.652 1.00 64.04 N ATOM 1131 CA GLU A 76 8.176 -28.235 -25.999 1.00 53.10 C ATOM 1132 C GLU A 76 8.485 -26.931 -26.729 1.00 61.34 C ATOM 1133 O GLU A 76 7.905 -26.640 -27.774 1.00 60.45 O ATOM 1134 CB GLU A 76 9.429 -29.110 -25.942 1.00 64.31 C ATOM 1135 CG GLU A 76 9.831 -29.686 -27.289 1.00 62.44 C ATOM 1136 CD GLU A 76 11.209 -30.318 -27.266 1.00 64.31 C ATOM 1137 OE1 GLU A 76 11.972 -30.043 -26.316 1.00 52.40 O ATOM 1138 OE2 GLU A 76 11.526 -31.088 -28.197 1.00 52.22 O ATOM 0 H GLU A 76 7.330 -29.887 -26.976 1.00 64.04 H new ATOM 0 HA GLU A 76 7.862 -27.997 -24.983 1.00 53.10 H new ATOM 0 HB2 GLU A 76 10.256 -28.520 -25.547 1.00 64.31 H new ATOM 0 HB3 GLU A 76 9.259 -29.928 -25.243 1.00 64.31 H new ATOM 0 HG2 GLU A 76 9.098 -30.433 -27.594 1.00 62.44 H new ATOM 0 HG3 GLU A 76 9.811 -28.895 -28.039 1.00 62.44 H new ATOM 1145 N ASN A 77 9.403 -26.150 -26.170 1.00 24.00 N ATOM 1146 CA ASN A 77 9.791 -24.878 -26.768 1.00 3.41 C ATOM 1147 C ASN A 77 8.566 -24.014 -27.051 1.00 41.24 C ATOM 1148 O ASN A 77 8.420 -23.465 -28.144 1.00 32.53 O ATOM 1149 CB ASN A 77 10.572 -25.115 -28.062 1.00 21.40 C ATOM 1150 CG ASN A 77 11.785 -26.001 -27.851 1.00 40.00 C ATOM 1151 OD1 ASN A 77 12.097 -26.387 -26.724 1.00 61.25 O ATOM 1152 ND2 ASN A 77 12.476 -26.327 -28.937 1.00 53.24 N ATOM 0 H ASN A 77 9.892 -26.375 -25.304 1.00 24.00 H new ATOM 0 HA ASN A 77 10.429 -24.351 -26.058 1.00 3.41 H new ATOM 0 HB2 ASN A 77 9.915 -25.573 -28.801 1.00 21.40 H new ATOM 0 HB3 ASN A 77 10.892 -24.157 -28.471 1.00 21.40 H new ATOM 0 HD21 ASN A 77 13.302 -26.920 -28.857 1.00 53.24 H new ATOM 0 HD22 ASN A 77 12.181 -25.984 -29.851 1.00 53.24 H new ATOM 1159 N SER A 78 7.689 -23.897 -26.060 1.00 12.03 N ATOM 1160 CA SER A 78 6.475 -23.102 -26.203 1.00 33.21 C ATOM 1161 C SER A 78 6.804 -21.614 -26.270 1.00 63.11 C ATOM 1162 O SER A 78 7.711 -21.135 -25.589 1.00 20.23 O ATOM 1163 CB SER A 78 5.522 -23.373 -25.037 1.00 1.03 C ATOM 1164 OG SER A 78 5.060 -24.713 -25.056 1.00 4.42 O ATOM 0 H SER A 78 7.796 -24.343 -25.149 1.00 12.03 H new ATOM 0 HA SER A 78 5.989 -23.391 -27.135 1.00 33.21 H new ATOM 0 HB2 SER A 78 6.031 -23.174 -24.094 1.00 1.03 H new ATOM 0 HB3 SER A 78 4.673 -22.692 -25.091 1.00 1.03 H new ATOM 0 HG SER A 78 5.560 -25.222 -25.728 1.00 4.42 H new ATOM 1170 N LYS A 79 6.061 -20.887 -27.097 1.00 41.22 N ATOM 1171 CA LYS A 79 6.271 -19.453 -27.255 1.00 1.43 C ATOM 1172 C LYS A 79 4.967 -18.687 -27.054 1.00 4.51 C ATOM 1173 O LYS A 79 3.880 -19.246 -27.192 1.00 63.41 O ATOM 1174 CB LYS A 79 6.845 -19.149 -28.641 1.00 32.44 C ATOM 1175 CG LYS A 79 8.009 -20.046 -29.026 1.00 50.53 C ATOM 1176 CD LYS A 79 9.235 -19.766 -28.173 1.00 14.21 C ATOM 1177 CE LYS A 79 10.465 -20.478 -28.714 1.00 50.31 C ATOM 1178 NZ LYS A 79 11.076 -19.740 -29.854 1.00 50.22 N ATOM 0 H LYS A 79 5.307 -21.268 -27.669 1.00 41.22 H new ATOM 0 HA LYS A 79 6.983 -19.130 -26.495 1.00 1.43 H new ATOM 0 HB2 LYS A 79 6.054 -19.255 -29.384 1.00 32.44 H new ATOM 0 HB3 LYS A 79 7.173 -18.110 -28.670 1.00 32.44 H new ATOM 0 HG2 LYS A 79 7.717 -21.090 -28.914 1.00 50.53 H new ATOM 0 HG3 LYS A 79 8.254 -19.895 -30.077 1.00 50.53 H new ATOM 0 HD2 LYS A 79 9.420 -18.692 -28.141 1.00 14.21 H new ATOM 0 HD3 LYS A 79 9.048 -20.088 -27.149 1.00 14.21 H new ATOM 0 HE2 LYS A 79 11.200 -20.589 -27.917 1.00 50.31 H new ATOM 0 HE3 LYS A 79 10.191 -21.482 -29.037 1.00 50.31 H new ATOM 0 HZ1 LYS A 79 12.006 -20.149 -30.074 1.00 50.22 H new ATOM 0 HZ2 LYS A 79 10.459 -19.816 -30.688 1.00 50.22 H new ATOM 0 HZ3 LYS A 79 11.190 -18.738 -29.598 1.00 50.22 H new ATOM 1192 N MET A 80 5.084 -17.403 -26.729 1.00 25.23 N ATOM 1193 CA MET A 80 3.914 -16.560 -26.512 1.00 23.53 C ATOM 1194 C MET A 80 4.288 -15.083 -26.583 1.00 34.23 C ATOM 1195 O MET A 80 5.345 -14.677 -26.101 1.00 72.03 O ATOM 1196 CB MET A 80 3.278 -16.873 -25.156 1.00 23.21 C ATOM 1197 CG MET A 80 2.192 -17.934 -25.225 1.00 15.24 C ATOM 1198 SD MET A 80 0.951 -17.742 -23.930 1.00 51.33 S ATOM 1199 CE MET A 80 -0.117 -16.506 -24.666 1.00 31.13 C ATOM 0 H MET A 80 5.977 -16.924 -26.610 1.00 25.23 H new ATOM 0 HA MET A 80 3.192 -16.772 -27.301 1.00 23.53 H new ATOM 0 HB2 MET A 80 4.055 -17.204 -24.467 1.00 23.21 H new ATOM 0 HB3 MET A 80 2.855 -15.958 -24.742 1.00 23.21 H new ATOM 0 HG2 MET A 80 1.705 -17.888 -26.199 1.00 15.24 H new ATOM 0 HG3 MET A 80 2.648 -18.921 -25.143 1.00 15.24 H new ATOM 0 HE1 MET A 80 -0.936 -16.280 -23.983 1.00 31.13 H new ATOM 0 HE2 MET A 80 0.456 -15.599 -24.859 1.00 31.13 H new ATOM 0 HE3 MET A 80 -0.521 -16.886 -25.604 1.00 31.13 H new ATOM 1209 N MET A 81 3.413 -14.285 -27.186 1.00 42.22 N ATOM 1210 CA MET A 81 3.651 -12.852 -27.318 1.00 64.11 C ATOM 1211 C MET A 81 2.870 -12.072 -26.266 1.00 11.11 C ATOM 1212 O MET A 81 1.846 -12.539 -25.765 1.00 23.42 O ATOM 1213 CB MET A 81 3.261 -12.375 -28.718 1.00 75.22 C ATOM 1214 CG MET A 81 4.424 -12.344 -29.696 1.00 74.24 C ATOM 1215 SD MET A 81 3.905 -12.617 -31.401 1.00 74.35 S ATOM 1216 CE MET A 81 5.190 -13.726 -31.973 1.00 42.32 C ATOM 0 H MET A 81 2.533 -14.606 -27.591 1.00 42.22 H new ATOM 0 HA MET A 81 4.715 -12.670 -27.164 1.00 64.11 H new ATOM 0 HB2 MET A 81 2.483 -13.029 -29.112 1.00 75.22 H new ATOM 0 HB3 MET A 81 2.831 -11.376 -28.646 1.00 75.22 H new ATOM 0 HG2 MET A 81 4.929 -11.381 -29.624 1.00 74.24 H new ATOM 0 HG3 MET A 81 5.150 -13.106 -29.415 1.00 74.24 H new ATOM 0 HE1 MET A 81 5.398 -13.530 -33.025 1.00 42.32 H new ATOM 0 HE2 MET A 81 6.096 -13.566 -31.388 1.00 42.32 H new ATOM 0 HE3 MET A 81 4.859 -14.758 -31.855 1.00 42.32 H new ATOM 1226 N LEU A 82 3.358 -10.882 -25.935 1.00 1.33 N ATOM 1227 CA LEU A 82 2.705 -10.036 -24.942 1.00 31.15 C ATOM 1228 C LEU A 82 2.593 -8.599 -25.439 1.00 55.34 C ATOM 1229 O LEU A 82 3.209 -8.228 -26.438 1.00 22.04 O ATOM 1230 CB LEU A 82 3.480 -10.072 -23.623 1.00 71.12 C ATOM 1231 CG LEU A 82 3.835 -11.461 -23.091 1.00 71.01 C ATOM 1232 CD1 LEU A 82 4.593 -11.352 -21.777 1.00 52.42 C ATOM 1233 CD2 LEU A 82 2.579 -12.302 -22.916 1.00 31.11 C ATOM 0 H LEU A 82 4.204 -10.481 -26.340 1.00 1.33 H new ATOM 0 HA LEU A 82 1.700 -10.423 -24.777 1.00 31.15 H new ATOM 0 HB2 LEU A 82 4.403 -9.507 -23.752 1.00 71.12 H new ATOM 0 HB3 LEU A 82 2.892 -9.554 -22.865 1.00 71.12 H new ATOM 0 HG LEU A 82 4.480 -11.954 -23.819 1.00 71.01 H new ATOM 0 HD11 LEU A 82 4.837 -12.350 -21.414 1.00 52.42 H new ATOM 0 HD12 LEU A 82 5.512 -10.788 -21.933 1.00 52.42 H new ATOM 0 HD13 LEU A 82 3.973 -10.840 -21.041 1.00 52.42 H new ATOM 0 HD21 LEU A 82 2.851 -13.287 -22.537 1.00 31.11 H new ATOM 0 HD22 LEU A 82 1.909 -11.813 -22.209 1.00 31.11 H new ATOM 0 HD23 LEU A 82 2.076 -12.409 -23.877 1.00 31.11 H new ATOM 1245 N GLU A 83 1.803 -7.794 -24.735 1.00 52.12 N ATOM 1246 CA GLU A 83 1.610 -6.397 -25.107 1.00 22.02 C ATOM 1247 C GLU A 83 2.166 -5.467 -24.033 1.00 4.34 C ATOM 1248 O GLU A 83 1.768 -5.535 -22.869 1.00 50.21 O ATOM 1249 CB GLU A 83 0.125 -6.106 -25.330 1.00 52.30 C ATOM 1250 CG GLU A 83 -0.438 -6.742 -26.590 1.00 64.00 C ATOM 1251 CD GLU A 83 -1.704 -6.061 -27.072 1.00 63.13 C ATOM 1252 OE1 GLU A 83 -2.784 -6.680 -26.973 1.00 11.23 O ATOM 1253 OE2 GLU A 83 -1.615 -4.911 -27.549 1.00 45.43 O ATOM 0 H GLU A 83 1.287 -8.085 -23.905 1.00 52.12 H new ATOM 0 HA GLU A 83 2.151 -6.217 -26.036 1.00 22.02 H new ATOM 0 HB2 GLU A 83 -0.440 -6.464 -24.469 1.00 52.30 H new ATOM 0 HB3 GLU A 83 -0.021 -5.027 -25.381 1.00 52.30 H new ATOM 0 HG2 GLU A 83 0.313 -6.704 -27.379 1.00 64.00 H new ATOM 0 HG3 GLU A 83 -0.646 -7.795 -26.399 1.00 64.00 H new ATOM 1260 N LEU A 84 3.090 -4.598 -24.431 1.00 34.42 N ATOM 1261 CA LEU A 84 3.703 -3.654 -23.503 1.00 72.30 C ATOM 1262 C LEU A 84 3.769 -2.257 -24.112 1.00 31.41 C ATOM 1263 O LEU A 84 4.229 -2.082 -25.241 1.00 33.55 O ATOM 1264 CB LEU A 84 5.108 -4.124 -23.121 1.00 52.33 C ATOM 1265 CG LEU A 84 5.188 -5.436 -22.340 1.00 50.31 C ATOM 1266 CD1 LEU A 84 5.259 -6.620 -23.292 1.00 3.14 C ATOM 1267 CD2 LEU A 84 6.389 -5.427 -21.405 1.00 73.32 C ATOM 0 H LEU A 84 3.431 -4.528 -25.390 1.00 34.42 H new ATOM 0 HA LEU A 84 3.085 -3.610 -22.606 1.00 72.30 H new ATOM 0 HB2 LEU A 84 5.694 -4.232 -24.034 1.00 52.33 H new ATOM 0 HB3 LEU A 84 5.582 -3.342 -22.528 1.00 52.33 H new ATOM 0 HG LEU A 84 4.285 -5.535 -21.738 1.00 50.31 H new ATOM 0 HD11 LEU A 84 5.315 -7.545 -22.718 1.00 3.14 H new ATOM 0 HD12 LEU A 84 4.368 -6.636 -23.920 1.00 3.14 H new ATOM 0 HD13 LEU A 84 6.144 -6.529 -23.921 1.00 3.14 H new ATOM 0 HD21 LEU A 84 6.431 -6.368 -20.857 1.00 73.32 H new ATOM 0 HD22 LEU A 84 7.302 -5.305 -21.987 1.00 73.32 H new ATOM 0 HD23 LEU A 84 6.295 -4.601 -20.700 1.00 73.32 H new ATOM 1279 N ASP A 85 3.309 -1.266 -23.357 1.00 33.23 N ATOM 1280 CA ASP A 85 3.319 0.116 -23.820 1.00 53.43 C ATOM 1281 C ASP A 85 4.067 1.013 -22.839 1.00 45.13 C ATOM 1282 O ASP A 85 3.474 1.801 -22.103 1.00 34.24 O ATOM 1283 CB ASP A 85 1.888 0.625 -24.006 1.00 22.04 C ATOM 1284 CG ASP A 85 1.821 1.852 -24.893 1.00 15.52 C ATOM 1285 OD1 ASP A 85 2.886 2.437 -25.179 1.00 43.35 O ATOM 1286 OD2 ASP A 85 0.702 2.228 -25.301 1.00 71.11 O ATOM 0 H ASP A 85 2.924 -1.394 -22.421 1.00 33.23 H new ATOM 0 HA ASP A 85 3.835 0.147 -24.779 1.00 53.43 H new ATOM 0 HB2 ASP A 85 1.277 -0.167 -24.440 1.00 22.04 H new ATOM 0 HB3 ASP A 85 1.460 0.861 -23.032 1.00 22.04 H new ATOM 1291 N PRO A 86 5.403 0.891 -22.827 1.00 2.50 N ATOM 1292 CA PRO A 86 6.262 1.683 -21.941 1.00 30.44 C ATOM 1293 C PRO A 86 6.302 3.155 -22.335 1.00 14.13 C ATOM 1294 O PRO A 86 5.855 3.546 -23.413 1.00 42.23 O ATOM 1295 CB PRO A 86 7.641 1.044 -22.120 1.00 63.32 C ATOM 1296 CG PRO A 86 7.598 0.423 -23.474 1.00 1.21 C ATOM 1297 CD PRO A 86 6.178 -0.027 -23.678 1.00 20.32 C ATOM 0 HA PRO A 86 5.903 1.675 -20.912 1.00 30.44 H new ATOM 0 HB2 PRO A 86 8.434 1.788 -22.051 1.00 63.32 H new ATOM 0 HB3 PRO A 86 7.835 0.299 -21.349 1.00 63.32 H new ATOM 0 HG2 PRO A 86 7.895 1.138 -24.241 1.00 1.21 H new ATOM 0 HG3 PRO A 86 8.287 -0.419 -23.539 1.00 1.21 H new ATOM 0 HD2 PRO A 86 5.880 0.046 -24.724 1.00 20.32 H new ATOM 0 HD3 PRO A 86 6.039 -1.066 -23.379 1.00 20.32 H new ATOM 1305 N PRO A 87 6.849 3.993 -21.442 1.00 31.04 N ATOM 1306 CA PRO A 87 6.962 5.436 -21.675 1.00 60.35 C ATOM 1307 C PRO A 87 7.981 5.769 -22.759 1.00 44.04 C ATOM 1308 O PRO A 87 8.566 4.875 -23.372 1.00 53.12 O ATOM 1309 CB PRO A 87 7.424 5.979 -20.321 1.00 43.43 C ATOM 1310 CG PRO A 87 8.118 4.833 -19.670 1.00 15.15 C ATOM 1311 CD PRO A 87 7.400 3.596 -20.135 1.00 11.41 C ATOM 0 HA PRO A 87 6.024 5.868 -22.024 1.00 60.35 H new ATOM 0 HB2 PRO A 87 8.094 6.830 -20.444 1.00 43.43 H new ATOM 0 HB3 PRO A 87 6.580 6.322 -19.723 1.00 43.43 H new ATOM 0 HG2 PRO A 87 9.170 4.803 -19.952 1.00 15.15 H new ATOM 0 HG3 PRO A 87 8.082 4.920 -18.584 1.00 15.15 H new ATOM 0 HD2 PRO A 87 8.078 2.748 -20.226 1.00 11.41 H new ATOM 0 HD3 PRO A 87 6.614 3.302 -19.440 1.00 11.41 H new ATOM 1319 N PHE A 88 8.191 7.061 -22.991 1.00 71.31 N ATOM 1320 CA PHE A 88 9.140 7.512 -24.003 1.00 35.04 C ATOM 1321 C PHE A 88 10.553 7.580 -23.431 1.00 14.21 C ATOM 1322 O PHE A 88 10.932 8.566 -22.801 1.00 44.52 O ATOM 1323 CB PHE A 88 8.729 8.884 -24.542 1.00 34.33 C ATOM 1324 CG PHE A 88 7.301 8.942 -25.005 1.00 41.53 C ATOM 1325 CD1 PHE A 88 6.966 8.599 -26.305 1.00 63.11 C ATOM 1326 CD2 PHE A 88 6.294 9.342 -24.141 1.00 62.13 C ATOM 1327 CE1 PHE A 88 5.654 8.652 -26.735 1.00 34.51 C ATOM 1328 CE2 PHE A 88 4.980 9.396 -24.565 1.00 51.12 C ATOM 1329 CZ PHE A 88 4.659 9.052 -25.864 1.00 23.31 C ATOM 0 H PHE A 88 7.717 7.814 -22.492 1.00 71.31 H new ATOM 0 HA PHE A 88 9.132 6.791 -24.820 1.00 35.04 H new ATOM 0 HB2 PHE A 88 8.881 9.632 -23.764 1.00 34.33 H new ATOM 0 HB3 PHE A 88 9.383 9.150 -25.372 1.00 34.33 H new ATOM 0 HD1 PHE A 88 7.740 8.286 -26.990 1.00 63.11 H new ATOM 0 HD2 PHE A 88 6.539 9.615 -23.125 1.00 62.13 H new ATOM 0 HE1 PHE A 88 5.407 8.381 -27.751 1.00 34.51 H new ATOM 0 HE2 PHE A 88 4.204 9.707 -23.881 1.00 51.12 H new ATOM 0 HZ PHE A 88 3.633 9.096 -26.198 1.00 23.31 H new ATOM 1339 N GLY A 89 11.327 6.523 -23.655 1.00 62.12 N ATOM 1340 CA GLY A 89 12.689 6.482 -23.156 1.00 45.25 C ATOM 1341 C GLY A 89 13.337 5.125 -23.349 1.00 41.33 C ATOM 1342 O GLY A 89 12.899 4.334 -24.185 1.00 4.11 O ATOM 0 H GLY A 89 11.035 5.694 -24.173 1.00 62.12 H new ATOM 0 HA2 GLY A 89 13.283 7.240 -23.666 1.00 45.25 H new ATOM 0 HA3 GLY A 89 12.692 6.735 -22.096 1.00 45.25 H new ATOM 1346 N ASP A 90 14.383 4.856 -22.576 1.00 62.22 N ATOM 1347 CA ASP A 90 15.093 3.585 -22.666 1.00 42.11 C ATOM 1348 C ASP A 90 14.988 2.810 -21.356 1.00 45.32 C ATOM 1349 O ASP A 90 15.315 3.329 -20.289 1.00 1.22 O ATOM 1350 CB ASP A 90 16.563 3.821 -23.017 1.00 51.42 C ATOM 1351 CG ASP A 90 16.747 4.955 -24.007 1.00 13.11 C ATOM 1352 OD1 ASP A 90 17.727 5.716 -23.863 1.00 70.31 O ATOM 1353 OD2 ASP A 90 15.911 5.081 -24.926 1.00 12.22 O ATOM 0 H ASP A 90 14.758 5.501 -21.880 1.00 62.22 H new ATOM 0 HA ASP A 90 14.630 2.993 -23.456 1.00 42.11 H new ATOM 0 HB2 ASP A 90 17.120 4.043 -22.107 1.00 51.42 H new ATOM 0 HB3 ASP A 90 16.985 2.907 -23.434 1.00 51.42 H new ATOM 1358 N SER A 91 14.530 1.566 -21.446 1.00 32.04 N ATOM 1359 CA SER A 91 14.375 0.722 -20.267 1.00 22.23 C ATOM 1360 C SER A 91 14.903 -0.685 -20.533 1.00 11.22 C ATOM 1361 O SER A 91 15.408 -0.976 -21.617 1.00 43.53 O ATOM 1362 CB SER A 91 12.905 0.657 -19.849 1.00 72.43 C ATOM 1363 OG SER A 91 12.780 0.463 -18.451 1.00 73.42 O ATOM 0 H SER A 91 14.260 1.120 -22.323 1.00 32.04 H new ATOM 0 HA SER A 91 14.956 1.162 -19.457 1.00 22.23 H new ATOM 0 HB2 SER A 91 12.401 1.579 -20.138 1.00 72.43 H new ATOM 0 HB3 SER A 91 12.409 -0.157 -20.378 1.00 72.43 H new ATOM 0 HG SER A 91 11.953 0.883 -18.135 1.00 73.42 H new ATOM 1369 N TYR A 92 14.782 -1.554 -19.535 1.00 52.43 N ATOM 1370 CA TYR A 92 15.249 -2.929 -19.659 1.00 73.31 C ATOM 1371 C TYR A 92 14.102 -3.914 -19.456 1.00 34.33 C ATOM 1372 O TYR A 92 13.539 -4.012 -18.365 1.00 21.33 O ATOM 1373 CB TYR A 92 16.359 -3.206 -18.645 1.00 24.25 C ATOM 1374 CG TYR A 92 17.569 -2.315 -18.813 1.00 1.25 C ATOM 1375 CD1 TYR A 92 17.713 -1.157 -18.058 1.00 23.13 C ATOM 1376 CD2 TYR A 92 18.567 -2.629 -19.727 1.00 21.35 C ATOM 1377 CE1 TYR A 92 18.816 -0.339 -18.208 1.00 64.02 C ATOM 1378 CE2 TYR A 92 19.674 -1.818 -19.883 1.00 22.04 C ATOM 1379 CZ TYR A 92 19.794 -0.674 -19.121 1.00 62.04 C ATOM 1380 OH TYR A 92 20.895 0.137 -19.275 1.00 51.50 O ATOM 0 H TYR A 92 14.365 -1.330 -18.632 1.00 52.43 H new ATOM 0 HA TYR A 92 15.645 -3.062 -20.666 1.00 73.31 H new ATOM 0 HB2 TYR A 92 15.961 -3.077 -17.639 1.00 24.25 H new ATOM 0 HB3 TYR A 92 16.670 -4.247 -18.734 1.00 24.25 H new ATOM 0 HD1 TYR A 92 16.949 -0.892 -17.342 1.00 23.13 H new ATOM 0 HD2 TYR A 92 18.476 -3.523 -20.326 1.00 21.35 H new ATOM 0 HE1 TYR A 92 18.912 0.558 -17.614 1.00 64.02 H new ATOM 0 HE2 TYR A 92 20.441 -2.078 -20.597 1.00 22.04 H new ATOM 0 HH TYR A 92 21.488 -0.242 -19.957 1.00 51.50 H new ATOM 1390 N ILE A 93 13.761 -4.642 -20.514 1.00 20.22 N ATOM 1391 CA ILE A 93 12.683 -5.621 -20.452 1.00 54.10 C ATOM 1392 C ILE A 93 13.117 -6.871 -19.694 1.00 44.24 C ATOM 1393 O ILE A 93 13.984 -7.617 -20.151 1.00 2.54 O ATOM 1394 CB ILE A 93 12.209 -6.027 -21.860 1.00 42.43 C ATOM 1395 CG1 ILE A 93 11.750 -4.794 -22.642 1.00 73.33 C ATOM 1396 CG2 ILE A 93 11.088 -7.050 -21.768 1.00 33.44 C ATOM 1397 CD1 ILE A 93 12.404 -4.661 -23.999 1.00 63.25 C ATOM 0 H ILE A 93 14.216 -4.572 -21.424 1.00 20.22 H new ATOM 0 HA ILE A 93 11.857 -5.146 -19.922 1.00 54.10 H new ATOM 0 HB ILE A 93 13.045 -6.481 -22.392 1.00 42.43 H new ATOM 0 HG12 ILE A 93 10.669 -4.838 -22.772 1.00 73.33 H new ATOM 0 HG13 ILE A 93 11.965 -3.901 -22.055 1.00 73.33 H new ATOM 0 HG21 ILE A 93 10.764 -7.326 -22.771 1.00 33.44 H new ATOM 0 HG22 ILE A 93 11.447 -7.937 -21.245 1.00 33.44 H new ATOM 0 HG23 ILE A 93 10.248 -6.621 -21.221 1.00 33.44 H new ATOM 0 HD11 ILE A 93 12.031 -3.765 -24.496 1.00 63.25 H new ATOM 0 HD12 ILE A 93 13.484 -4.585 -23.876 1.00 63.25 H new ATOM 0 HD13 ILE A 93 12.168 -5.537 -24.604 1.00 63.25 H new ATOM 1409 N VAL A 94 12.508 -7.095 -18.534 1.00 71.15 N ATOM 1410 CA VAL A 94 12.829 -8.257 -17.714 1.00 41.12 C ATOM 1411 C VAL A 94 11.707 -9.288 -17.759 1.00 22.14 C ATOM 1412 O VAL A 94 10.529 -8.936 -17.821 1.00 51.23 O ATOM 1413 CB VAL A 94 13.085 -7.856 -16.249 1.00 65.13 C ATOM 1414 CG1 VAL A 94 13.500 -9.068 -15.429 1.00 10.24 C ATOM 1415 CG2 VAL A 94 14.142 -6.764 -16.173 1.00 55.22 C ATOM 0 H VAL A 94 11.790 -6.487 -18.141 1.00 71.15 H new ATOM 0 HA VAL A 94 13.738 -8.695 -18.127 1.00 41.12 H new ATOM 0 HB VAL A 94 12.158 -7.463 -15.830 1.00 65.13 H new ATOM 0 HG11 VAL A 94 13.677 -8.766 -14.397 1.00 10.24 H new ATOM 0 HG12 VAL A 94 12.707 -9.815 -15.458 1.00 10.24 H new ATOM 0 HG13 VAL A 94 14.414 -9.493 -15.844 1.00 10.24 H new ATOM 0 HG21 VAL A 94 14.311 -6.493 -15.131 1.00 55.22 H new ATOM 0 HG22 VAL A 94 15.073 -7.128 -16.608 1.00 55.22 H new ATOM 0 HG23 VAL A 94 13.801 -5.888 -16.725 1.00 55.22 H new ATOM 1425 N ILE A 95 12.081 -10.563 -17.725 1.00 51.32 N ATOM 1426 CA ILE A 95 11.106 -11.645 -17.760 1.00 73.41 C ATOM 1427 C ILE A 95 11.262 -12.565 -16.554 1.00 14.25 C ATOM 1428 O ILE A 95 12.337 -13.110 -16.310 1.00 43.20 O ATOM 1429 CB ILE A 95 11.237 -12.480 -19.048 1.00 30.13 C ATOM 1430 CG1 ILE A 95 11.056 -11.590 -20.279 1.00 65.01 C ATOM 1431 CG2 ILE A 95 10.220 -13.611 -19.052 1.00 31.55 C ATOM 1432 CD1 ILE A 95 9.680 -10.971 -20.381 1.00 1.14 C ATOM 0 H ILE A 95 13.052 -10.871 -17.673 1.00 51.32 H new ATOM 0 HA ILE A 95 10.120 -11.181 -17.736 1.00 73.41 H new ATOM 0 HB ILE A 95 12.236 -12.915 -19.081 1.00 30.13 H new ATOM 0 HG12 ILE A 95 11.802 -10.796 -20.256 1.00 65.01 H new ATOM 0 HG13 ILE A 95 11.247 -12.180 -21.175 1.00 65.01 H new ATOM 0 HG21 ILE A 95 10.325 -14.192 -19.968 1.00 31.55 H new ATOM 0 HG22 ILE A 95 10.391 -14.257 -18.191 1.00 31.55 H new ATOM 0 HG23 ILE A 95 9.214 -13.196 -18.999 1.00 31.55 H new ATOM 0 HD11 ILE A 95 9.624 -10.353 -21.277 1.00 1.14 H new ATOM 0 HD12 ILE A 95 8.930 -11.760 -20.436 1.00 1.14 H new ATOM 0 HD13 ILE A 95 9.493 -10.353 -19.503 1.00 1.14 H new ATOM 1444 N GLY A 96 10.178 -12.734 -15.801 1.00 44.01 N ATOM 1445 CA GLY A 96 10.215 -13.590 -14.630 1.00 71.20 C ATOM 1446 C GLY A 96 11.240 -13.135 -13.611 1.00 10.45 C ATOM 1447 O GLY A 96 11.966 -12.167 -13.839 1.00 10.11 O ATOM 0 H GLY A 96 9.276 -12.293 -15.982 1.00 44.01 H new ATOM 0 HA2 GLY A 96 9.229 -13.608 -14.166 1.00 71.20 H new ATOM 0 HA3 GLY A 96 10.441 -14.611 -14.937 1.00 71.20 H new ATOM 1451 N VAL A 97 11.299 -13.832 -12.481 1.00 22.44 N ATOM 1452 CA VAL A 97 12.244 -13.495 -11.422 1.00 55.22 C ATOM 1453 C VAL A 97 13.059 -14.713 -11.004 1.00 62.04 C ATOM 1454 O VAL A 97 12.514 -15.795 -10.792 1.00 30.13 O ATOM 1455 CB VAL A 97 11.522 -12.926 -10.186 1.00 54.45 C ATOM 1456 CG1 VAL A 97 10.725 -11.684 -10.558 1.00 4.22 C ATOM 1457 CG2 VAL A 97 10.620 -13.981 -9.564 1.00 12.32 C ATOM 0 H VAL A 97 10.703 -14.634 -12.275 1.00 22.44 H new ATOM 0 HA VAL A 97 12.913 -12.735 -11.825 1.00 55.22 H new ATOM 0 HB VAL A 97 12.272 -12.640 -9.448 1.00 54.45 H new ATOM 0 HG11 VAL A 97 10.222 -11.296 -9.672 1.00 4.22 H new ATOM 0 HG12 VAL A 97 11.399 -10.925 -10.955 1.00 4.22 H new ATOM 0 HG13 VAL A 97 9.983 -11.941 -11.314 1.00 4.22 H new ATOM 0 HG21 VAL A 97 10.118 -13.562 -8.692 1.00 12.32 H new ATOM 0 HG22 VAL A 97 9.875 -14.299 -10.294 1.00 12.32 H new ATOM 0 HG23 VAL A 97 11.220 -14.839 -9.260 1.00 12.32 H new ATOM 1467 N GLY A 98 14.371 -14.529 -10.888 1.00 50.20 N ATOM 1468 CA GLY A 98 15.241 -15.621 -10.494 1.00 64.34 C ATOM 1469 C GLY A 98 16.709 -15.255 -10.586 1.00 44.14 C ATOM 1470 O GLY A 98 17.056 -14.079 -10.688 1.00 44.24 O ATOM 0 H GLY A 98 14.846 -13.643 -11.060 1.00 50.20 H new ATOM 0 HA2 GLY A 98 15.007 -15.917 -9.471 1.00 64.34 H new ATOM 0 HA3 GLY A 98 15.045 -16.485 -11.129 1.00 64.34 H new ATOM 1474 N GLU A 99 17.573 -16.265 -10.549 1.00 4.44 N ATOM 1475 CA GLU A 99 19.012 -16.041 -10.627 1.00 22.22 C ATOM 1476 C GLU A 99 19.467 -15.926 -12.079 1.00 31.51 C ATOM 1477 O GLU A 99 20.418 -15.209 -12.389 1.00 40.21 O ATOM 1478 CB GLU A 99 19.766 -17.178 -9.933 1.00 73.23 C ATOM 1479 CG GLU A 99 21.248 -16.901 -9.747 1.00 30.31 C ATOM 1480 CD GLU A 99 21.515 -15.542 -9.129 1.00 35.51 C ATOM 1481 OE1 GLU A 99 22.308 -14.773 -9.710 1.00 10.41 O ATOM 1482 OE2 GLU A 99 20.931 -15.249 -8.065 1.00 75.10 O ATOM 0 H GLU A 99 17.302 -17.245 -10.466 1.00 4.44 H new ATOM 0 HA GLU A 99 19.236 -15.103 -10.119 1.00 22.22 H new ATOM 0 HB2 GLU A 99 19.314 -17.360 -8.958 1.00 73.23 H new ATOM 0 HB3 GLU A 99 19.646 -18.091 -10.516 1.00 73.23 H new ATOM 0 HG2 GLU A 99 21.682 -17.675 -9.114 1.00 30.31 H new ATOM 0 HG3 GLU A 99 21.749 -16.961 -10.713 1.00 30.31 H new ATOM 1489 N LYS A 100 18.781 -16.639 -12.966 1.00 33.54 N ATOM 1490 CA LYS A 100 19.112 -16.619 -14.385 1.00 72.34 C ATOM 1491 C LYS A 100 18.277 -15.578 -15.124 1.00 2.20 C ATOM 1492 O LYS A 100 17.892 -15.779 -16.276 1.00 34.12 O ATOM 1493 CB LYS A 100 18.885 -18.001 -15.003 1.00 22.23 C ATOM 1494 CG LYS A 100 19.895 -19.042 -14.551 1.00 71.12 C ATOM 1495 CD LYS A 100 21.168 -18.980 -15.378 1.00 40.43 C ATOM 1496 CE LYS A 100 21.030 -19.764 -16.674 1.00 71.20 C ATOM 1497 NZ LYS A 100 21.381 -21.200 -16.493 1.00 74.10 N ATOM 0 H LYS A 100 17.991 -17.238 -12.726 1.00 33.54 H new ATOM 0 HA LYS A 100 20.164 -16.352 -14.483 1.00 72.34 H new ATOM 0 HB2 LYS A 100 17.883 -18.344 -14.747 1.00 22.23 H new ATOM 0 HB3 LYS A 100 18.925 -17.915 -16.089 1.00 22.23 H new ATOM 0 HG2 LYS A 100 20.135 -18.885 -13.500 1.00 71.12 H new ATOM 0 HG3 LYS A 100 19.455 -20.036 -14.632 1.00 71.12 H new ATOM 0 HD2 LYS A 100 21.406 -17.941 -15.604 1.00 40.43 H new ATOM 0 HD3 LYS A 100 22.000 -19.378 -14.797 1.00 40.43 H new ATOM 0 HE2 LYS A 100 20.006 -19.684 -17.040 1.00 71.20 H new ATOM 0 HE3 LYS A 100 21.676 -19.325 -17.435 1.00 71.20 H new ATOM 0 HZ1 LYS A 100 21.274 -21.700 -17.399 1.00 74.10 H new ATOM 0 HZ2 LYS A 100 22.366 -21.278 -16.168 1.00 74.10 H new ATOM 0 HZ3 LYS A 100 20.748 -21.626 -15.786 1.00 74.10 H new ATOM 1511 N LYS A 101 18.002 -14.463 -14.455 1.00 24.54 N ATOM 1512 CA LYS A 101 17.216 -13.388 -15.048 1.00 21.34 C ATOM 1513 C LYS A 101 17.746 -13.027 -16.432 1.00 14.43 C ATOM 1514 O LYS A 101 18.852 -13.418 -16.805 1.00 33.50 O ATOM 1515 CB LYS A 101 17.238 -12.154 -14.143 1.00 71.01 C ATOM 1516 CG LYS A 101 16.409 -12.311 -12.880 1.00 23.12 C ATOM 1517 CD LYS A 101 15.303 -11.273 -12.806 1.00 54.52 C ATOM 1518 CE LYS A 101 15.829 -9.931 -12.319 1.00 54.02 C ATOM 1519 NZ LYS A 101 16.560 -9.200 -13.391 1.00 10.01 N ATOM 0 H LYS A 101 18.312 -14.281 -13.501 1.00 24.54 H new ATOM 0 HA LYS A 101 16.188 -13.736 -15.152 1.00 21.34 H new ATOM 0 HB2 LYS A 101 18.269 -11.935 -13.866 1.00 71.01 H new ATOM 0 HB3 LYS A 101 16.870 -11.295 -14.705 1.00 71.01 H new ATOM 0 HG2 LYS A 101 15.974 -13.310 -12.851 1.00 23.12 H new ATOM 0 HG3 LYS A 101 17.054 -12.219 -12.006 1.00 23.12 H new ATOM 0 HD2 LYS A 101 14.850 -11.152 -13.790 1.00 54.52 H new ATOM 0 HD3 LYS A 101 14.519 -11.623 -12.135 1.00 54.52 H new ATOM 0 HE2 LYS A 101 14.997 -9.321 -11.966 1.00 54.02 H new ATOM 0 HE3 LYS A 101 16.493 -10.088 -11.469 1.00 54.02 H new ATOM 0 HZ1 LYS A 101 16.591 -8.186 -13.161 1.00 10.01 H new ATOM 0 HZ2 LYS A 101 17.530 -9.569 -13.463 1.00 10.01 H new ATOM 0 HZ3 LYS A 101 16.070 -9.334 -14.299 1.00 10.01 H new ATOM 1533 N ILE A 102 16.950 -12.277 -17.187 1.00 3.30 N ATOM 1534 CA ILE A 102 17.340 -11.862 -18.529 1.00 22.21 C ATOM 1535 C ILE A 102 16.980 -10.402 -18.780 1.00 14.13 C ATOM 1536 O ILE A 102 15.995 -9.892 -18.243 1.00 60.43 O ATOM 1537 CB ILE A 102 16.671 -12.737 -19.605 1.00 55.22 C ATOM 1538 CG1 ILE A 102 15.156 -12.516 -19.603 1.00 45.04 C ATOM 1539 CG2 ILE A 102 16.997 -14.204 -19.374 1.00 25.51 C ATOM 1540 CD1 ILE A 102 14.427 -13.323 -20.655 1.00 11.52 C ATOM 0 H ILE A 102 16.032 -11.945 -16.892 1.00 3.30 H new ATOM 0 HA ILE A 102 18.421 -11.983 -18.595 1.00 22.21 H new ATOM 0 HB ILE A 102 17.061 -12.448 -20.581 1.00 55.22 H new ATOM 0 HG12 ILE A 102 14.761 -12.773 -18.620 1.00 45.04 H new ATOM 0 HG13 ILE A 102 14.951 -11.457 -19.762 1.00 45.04 H new ATOM 0 HG21 ILE A 102 16.517 -14.809 -20.143 1.00 25.51 H new ATOM 0 HG22 ILE A 102 18.076 -14.349 -19.420 1.00 25.51 H new ATOM 0 HG23 ILE A 102 16.632 -14.508 -18.393 1.00 25.51 H new ATOM 0 HD11 ILE A 102 13.358 -13.117 -20.596 1.00 11.52 H new ATOM 0 HD12 ILE A 102 14.795 -13.049 -21.644 1.00 11.52 H new ATOM 0 HD13 ILE A 102 14.602 -14.385 -20.484 1.00 11.52 H new ATOM 1552 N THR A 103 17.783 -9.732 -19.601 1.00 33.14 N ATOM 1553 CA THR A 103 17.548 -8.331 -19.924 1.00 43.43 C ATOM 1554 C THR A 103 17.845 -8.048 -21.393 1.00 33.43 C ATOM 1555 O THR A 103 18.467 -8.860 -22.078 1.00 62.41 O ATOM 1556 CB THR A 103 18.411 -7.400 -19.050 1.00 74.34 C ATOM 1557 OG1 THR A 103 19.652 -8.039 -18.731 1.00 74.41 O ATOM 1558 CG2 THR A 103 17.680 -7.031 -17.768 1.00 72.52 C ATOM 0 H THR A 103 18.602 -10.138 -20.054 1.00 33.14 H new ATOM 0 HA THR A 103 16.495 -8.133 -19.724 1.00 43.43 H new ATOM 0 HB THR A 103 18.607 -6.488 -19.613 1.00 74.34 H new ATOM 0 HG1 THR A 103 20.195 -7.440 -18.177 1.00 74.41 H new ATOM 0 HG21 THR A 103 18.308 -6.374 -17.167 1.00 72.52 H new ATOM 0 HG22 THR A 103 16.750 -6.519 -18.014 1.00 72.52 H new ATOM 0 HG23 THR A 103 17.457 -7.936 -17.203 1.00 72.52 H new ATOM 1566 N HIS A 104 17.396 -6.892 -21.871 1.00 32.12 N ATOM 1567 CA HIS A 104 17.613 -6.503 -23.260 1.00 34.32 C ATOM 1568 C HIS A 104 17.531 -4.988 -23.419 1.00 33.11 C ATOM 1569 O HIS A 104 16.474 -4.389 -23.217 1.00 2.54 O ATOM 1570 CB HIS A 104 16.584 -7.179 -24.167 1.00 64.41 C ATOM 1571 CG HIS A 104 16.667 -6.741 -25.597 1.00 14.53 C ATOM 1572 ND1 HIS A 104 15.902 -5.875 -26.302 1.00 3.21 N flip ATOM 1573 CD2 HIS A 104 17.624 -7.206 -26.473 1.00 42.44 C flip ATOM 1574 CE1 HIS A 104 16.407 -5.832 -27.579 1.00 45.22 C flip ATOM 1575 NE2 HIS A 104 17.446 -6.644 -27.655 1.00 5.15 N flip ATOM 0 H HIS A 104 16.880 -6.208 -21.317 1.00 32.12 H new ATOM 0 HA HIS A 104 18.612 -6.828 -23.551 1.00 34.32 H new ATOM 0 HB2 HIS A 104 16.722 -8.259 -24.118 1.00 64.41 H new ATOM 0 HB3 HIS A 104 15.584 -6.968 -23.788 1.00 64.41 H new ATOM 0 HD2 HIS A 104 18.399 -7.919 -26.231 1.00 42.44 H new ATOM 0 HE1 HIS A 104 16.018 -5.232 -28.388 1.00 45.22 H new ATOM 0 HE2 HIS A 104 18.015 -6.809 -28.486 1.00 5.15 H new ATOM 1583 N HIS A 105 18.653 -4.374 -23.782 1.00 34.43 N ATOM 1584 CA HIS A 105 18.707 -2.929 -23.968 1.00 43.14 C ATOM 1585 C HIS A 105 17.657 -2.471 -24.976 1.00 21.01 C ATOM 1586 O HIS A 105 17.666 -2.895 -26.132 1.00 34.04 O ATOM 1587 CB HIS A 105 20.100 -2.506 -24.438 1.00 73.40 C ATOM 1588 CG HIS A 105 20.618 -3.320 -25.584 1.00 54.53 C ATOM 1589 ND1 HIS A 105 21.414 -4.433 -25.418 1.00 51.10 N ATOM 1590 CD2 HIS A 105 20.447 -3.177 -26.919 1.00 41.44 C ATOM 1591 CE1 HIS A 105 21.712 -4.939 -26.601 1.00 43.34 C ATOM 1592 NE2 HIS A 105 21.137 -4.195 -27.529 1.00 65.04 N ATOM 0 H HIS A 105 19.536 -4.855 -23.953 1.00 34.43 H new ATOM 0 HA HIS A 105 18.495 -2.456 -23.009 1.00 43.14 H new ATOM 0 HB2 HIS A 105 20.072 -1.457 -24.732 1.00 73.40 H new ATOM 0 HB3 HIS A 105 20.796 -2.585 -23.603 1.00 73.40 H new ATOM 0 HD2 HIS A 105 19.874 -2.406 -27.412 1.00 41.44 H new ATOM 0 HE1 HIS A 105 22.322 -5.812 -26.779 1.00 43.34 H new ATOM 0 HE2 HIS A 105 21.196 -4.352 -28.535 1.00 65.04 H new ATOM 1600 N TRP A 106 16.755 -1.605 -24.530 1.00 14.02 N ATOM 1601 CA TRP A 106 15.697 -1.091 -25.393 1.00 0.24 C ATOM 1602 C TRP A 106 15.750 0.431 -25.471 1.00 33.04 C ATOM 1603 O TRP A 106 15.711 1.116 -24.448 1.00 44.42 O ATOM 1604 CB TRP A 106 14.328 -1.540 -24.879 1.00 61.54 C ATOM 1605 CG TRP A 106 13.183 -0.912 -25.614 1.00 14.14 C ATOM 1606 CD1 TRP A 106 12.097 -0.294 -25.063 1.00 14.41 C ATOM 1607 CD2 TRP A 106 13.009 -0.842 -27.033 1.00 64.41 C ATOM 1608 NE1 TRP A 106 11.258 0.156 -26.055 1.00 5.04 N ATOM 1609 CE2 TRP A 106 11.796 -0.167 -27.272 1.00 63.42 C ATOM 1610 CE3 TRP A 106 13.762 -1.283 -28.125 1.00 54.34 C ATOM 1611 CZ2 TRP A 106 11.321 0.075 -28.558 1.00 74.01 C ATOM 1612 CZ3 TRP A 106 13.288 -1.042 -29.401 1.00 11.40 C ATOM 1613 CH2 TRP A 106 12.077 -0.367 -29.609 1.00 23.31 C ATOM 0 H TRP A 106 16.734 -1.244 -23.576 1.00 14.02 H new ATOM 0 HA TRP A 106 15.851 -1.493 -26.394 1.00 0.24 H new ATOM 0 HB2 TRP A 106 14.254 -2.624 -24.963 1.00 61.54 H new ATOM 0 HB3 TRP A 106 14.248 -1.297 -23.820 1.00 61.54 H new ATOM 0 HD1 TRP A 106 11.923 -0.176 -24.004 1.00 14.41 H new ATOM 0 HE1 TRP A 106 10.378 0.650 -25.908 1.00 5.04 H new ATOM 0 HE3 TRP A 106 14.697 -1.802 -27.975 1.00 54.34 H new ATOM 0 HZ2 TRP A 106 10.388 0.594 -28.720 1.00 74.01 H new ATOM 0 HZ3 TRP A 106 13.860 -1.380 -30.252 1.00 11.40 H new ATOM 0 HH2 TRP A 106 11.734 -0.193 -30.618 1.00 23.31 H new ATOM 1624 N HIS A 107 15.837 0.954 -26.689 1.00 44.34 N ATOM 1625 CA HIS A 107 15.892 2.397 -26.900 1.00 24.50 C ATOM 1626 C HIS A 107 14.673 2.879 -27.679 1.00 73.34 C ATOM 1627 O HIS A 107 14.234 2.228 -28.628 1.00 54.51 O ATOM 1628 CB HIS A 107 17.172 2.776 -27.646 1.00 72.24 C ATOM 1629 CG HIS A 107 17.288 2.140 -28.997 1.00 72.05 C ATOM 1630 ND1 HIS A 107 17.662 0.825 -29.181 1.00 54.41 N ATOM 1631 CD2 HIS A 107 17.075 2.645 -30.235 1.00 41.40 C ATOM 1632 CE1 HIS A 107 17.676 0.550 -30.473 1.00 55.31 C ATOM 1633 NE2 HIS A 107 17.323 1.638 -31.135 1.00 31.25 N ATOM 0 H HIS A 107 15.871 0.401 -27.545 1.00 44.34 H new ATOM 0 HA HIS A 107 15.892 2.882 -25.924 1.00 24.50 H new ATOM 0 HB2 HIS A 107 17.210 3.859 -27.759 1.00 72.24 H new ATOM 0 HB3 HIS A 107 18.033 2.488 -27.043 1.00 72.24 H new ATOM 0 HD2 HIS A 107 16.767 3.653 -30.471 1.00 41.40 H new ATOM 0 HE1 HIS A 107 17.932 -0.402 -30.913 1.00 55.31 H new ATOM 0 HE2 HIS A 107 17.247 1.717 -32.149 1.00 31.25 H new ATOM 1641 N ARG A 108 14.130 4.021 -27.272 1.00 50.41 N ATOM 1642 CA ARG A 108 12.959 4.589 -27.931 1.00 24.35 C ATOM 1643 C ARG A 108 13.242 6.008 -28.415 1.00 64.30 C ATOM 1644 O ARG A 108 13.246 6.954 -27.628 1.00 31.13 O ATOM 1645 CB ARG A 108 11.763 4.593 -26.977 1.00 24.03 C ATOM 1646 CG ARG A 108 10.424 4.435 -27.678 1.00 43.12 C ATOM 1647 CD ARG A 108 10.153 5.592 -28.627 1.00 14.11 C ATOM 1648 NE ARG A 108 10.677 5.337 -29.966 1.00 31.31 N ATOM 1649 CZ ARG A 108 10.257 5.973 -31.053 1.00 53.44 C ATOM 1650 NH1 ARG A 108 9.311 6.898 -30.960 1.00 44.44 N ATOM 1651 NH2 ARG A 108 10.783 5.685 -32.237 1.00 54.31 N ATOM 0 H ARG A 108 14.482 4.572 -26.489 1.00 50.41 H new ATOM 0 HA ARG A 108 12.723 3.969 -28.796 1.00 24.35 H new ATOM 0 HB2 ARG A 108 11.883 3.786 -26.255 1.00 24.03 H new ATOM 0 HB3 ARG A 108 11.761 5.527 -26.414 1.00 24.03 H new ATOM 0 HG2 ARG A 108 10.411 3.497 -28.233 1.00 43.12 H new ATOM 0 HG3 ARG A 108 9.628 4.377 -26.936 1.00 43.12 H new ATOM 0 HD2 ARG A 108 9.079 5.768 -28.686 1.00 14.11 H new ATOM 0 HD3 ARG A 108 10.604 6.501 -28.228 1.00 14.11 H new ATOM 0 HE ARG A 108 11.406 4.631 -30.072 1.00 31.31 H new ATOM 0 HH11 ARG A 108 8.904 7.122 -30.052 1.00 44.44 H new ATOM 0 HH12 ARG A 108 8.990 7.385 -31.797 1.00 44.44 H new ATOM 0 HH21 ARG A 108 11.511 4.974 -32.312 1.00 54.31 H new ATOM 0 HH22 ARG A 108 10.459 6.174 -33.071 1.00 54.31 H new ATOM 1665 N SER A 109 13.480 6.147 -29.715 1.00 53.24 N ATOM 1666 CA SER A 109 13.768 7.450 -30.304 1.00 74.34 C ATOM 1667 C SER A 109 12.478 8.215 -30.588 1.00 23.40 C ATOM 1668 O SER A 109 12.082 8.380 -31.741 1.00 31.41 O ATOM 1669 CB SER A 109 14.570 7.283 -31.596 1.00 74.35 C ATOM 1670 OG SER A 109 14.805 8.535 -32.216 1.00 50.21 O ATOM 0 H SER A 109 13.479 5.374 -30.380 1.00 53.24 H new ATOM 0 HA SER A 109 14.359 8.022 -29.589 1.00 74.34 H new ATOM 0 HB2 SER A 109 15.521 6.798 -31.377 1.00 74.35 H new ATOM 0 HB3 SER A 109 14.030 6.630 -32.281 1.00 74.35 H new ATOM 0 HG SER A 109 15.321 8.401 -33.039 1.00 50.21 H new ATOM 1676 N GLY A 110 11.828 8.680 -29.526 1.00 34.22 N ATOM 1677 CA GLY A 110 10.589 9.420 -29.680 1.00 51.02 C ATOM 1678 C GLY A 110 10.738 10.883 -29.313 1.00 1.02 C ATOM 1679 O GLY A 110 11.445 11.223 -28.364 1.00 33.32 O ATOM 0 H GLY A 110 12.137 8.558 -28.562 1.00 34.22 H new ATOM 0 HA2 GLY A 110 10.248 9.340 -30.712 1.00 51.02 H new ATOM 0 HA3 GLY A 110 9.819 8.968 -29.054 1.00 51.02 H new ATOM 1683 N SER A 111 10.072 11.752 -30.067 1.00 23.12 N ATOM 1684 CA SER A 111 10.140 13.187 -29.820 1.00 14.44 C ATOM 1685 C SER A 111 9.322 13.565 -28.588 1.00 40.42 C ATOM 1686 O SER A 111 8.250 13.011 -28.345 1.00 73.32 O ATOM 1687 CB SER A 111 9.634 13.961 -31.039 1.00 35.42 C ATOM 1688 OG SER A 111 8.353 13.503 -31.437 1.00 53.30 O ATOM 0 H SER A 111 9.479 11.487 -30.854 1.00 23.12 H new ATOM 0 HA SER A 111 11.182 13.450 -29.639 1.00 14.44 H new ATOM 0 HB2 SER A 111 9.587 15.025 -30.805 1.00 35.42 H new ATOM 0 HB3 SER A 111 10.337 13.847 -31.864 1.00 35.42 H new ATOM 0 HG SER A 111 8.051 14.014 -32.217 1.00 53.30 H new ATOM 1694 N THR A 112 9.837 14.515 -27.812 1.00 74.34 N ATOM 1695 CA THR A 112 9.156 14.968 -26.606 1.00 40.21 C ATOM 1696 C THR A 112 8.946 16.478 -26.628 1.00 72.11 C ATOM 1697 O THR A 112 7.916 16.977 -26.174 1.00 12.00 O ATOM 1698 CB THR A 112 9.946 14.590 -25.339 1.00 63.23 C ATOM 1699 OG1 THR A 112 9.274 15.085 -24.176 1.00 52.01 O ATOM 1700 CG2 THR A 112 11.358 15.154 -25.394 1.00 22.44 C ATOM 0 H THR A 112 10.723 14.985 -27.998 1.00 74.34 H new ATOM 0 HA THR A 112 8.187 14.469 -26.584 1.00 40.21 H new ATOM 0 HB THR A 112 10.007 13.503 -25.287 1.00 63.23 H new ATOM 0 HG1 THR A 112 9.782 14.839 -23.375 1.00 52.01 H new ATOM 0 HG21 THR A 112 11.897 14.874 -24.489 1.00 22.44 H new ATOM 0 HG22 THR A 112 11.877 14.752 -26.264 1.00 22.44 H new ATOM 0 HG23 THR A 112 11.313 16.241 -25.468 1.00 22.44 H new ATOM 1708 N ILE A 113 9.927 17.200 -27.159 1.00 20.51 N ATOM 1709 CA ILE A 113 9.847 18.653 -27.242 1.00 23.43 C ATOM 1710 C ILE A 113 9.435 19.102 -28.640 1.00 22.35 C ATOM 1711 O ILE A 113 9.891 18.550 -29.640 1.00 31.40 O ATOM 1712 CB ILE A 113 11.191 19.312 -26.878 1.00 71.33 C ATOM 1713 CG1 ILE A 113 11.041 20.834 -26.830 1.00 34.44 C ATOM 1714 CG2 ILE A 113 12.265 18.912 -27.879 1.00 31.21 C ATOM 1715 CD1 ILE A 113 10.086 21.313 -25.758 1.00 64.41 C ATOM 0 H ILE A 113 10.786 16.802 -27.538 1.00 20.51 H new ATOM 0 HA ILE A 113 9.090 18.969 -26.524 1.00 23.43 H new ATOM 0 HB ILE A 113 11.494 18.964 -25.890 1.00 71.33 H new ATOM 0 HG12 ILE A 113 12.020 21.282 -26.660 1.00 34.44 H new ATOM 0 HG13 ILE A 113 10.692 21.188 -27.800 1.00 34.44 H new ATOM 0 HG21 ILE A 113 13.209 19.385 -27.609 1.00 31.21 H new ATOM 0 HG22 ILE A 113 12.386 17.829 -27.869 1.00 31.21 H new ATOM 0 HG23 ILE A 113 11.970 19.235 -28.877 1.00 31.21 H new ATOM 0 HD11 ILE A 113 10.029 22.401 -25.782 1.00 64.41 H new ATOM 0 HD12 ILE A 113 9.096 20.893 -25.938 1.00 64.41 H new ATOM 0 HD13 ILE A 113 10.444 20.990 -24.781 1.00 64.41 H new ATOM 1727 N GLY A 114 8.570 20.110 -28.700 1.00 61.34 N ATOM 1728 CA GLY A 114 8.112 20.618 -29.980 1.00 71.33 C ATOM 1729 C GLY A 114 9.004 21.718 -30.520 1.00 70.35 C ATOM 1730 O GLY A 114 9.311 21.750 -31.712 1.00 73.04 O ATOM 0 H GLY A 114 8.179 20.583 -27.886 1.00 61.34 H new ATOM 0 HA2 GLY A 114 8.073 19.800 -30.699 1.00 71.33 H new ATOM 0 HA3 GLY A 114 7.096 20.998 -29.874 1.00 71.33 H new ATOM 1734 N LYS A 115 9.421 22.624 -29.643 1.00 30.34 N ATOM 1735 CA LYS A 115 10.282 23.732 -30.037 1.00 11.41 C ATOM 1736 C LYS A 115 11.091 24.242 -28.849 1.00 25.02 C ATOM 1737 O LYS A 115 10.750 23.981 -27.695 1.00 12.31 O ATOM 1738 CB LYS A 115 9.445 24.871 -30.623 1.00 51.44 C ATOM 1739 CG LYS A 115 8.632 25.625 -29.586 1.00 14.44 C ATOM 1740 CD LYS A 115 9.357 26.872 -29.107 1.00 34.01 C ATOM 1741 CE LYS A 115 9.011 28.081 -29.963 1.00 30.04 C ATOM 1742 NZ LYS A 115 9.843 28.143 -31.196 1.00 54.34 N ATOM 0 H LYS A 115 9.176 22.613 -28.653 1.00 30.34 H new ATOM 0 HA LYS A 115 10.974 23.369 -30.797 1.00 11.41 H new ATOM 0 HB2 LYS A 115 10.106 25.571 -31.133 1.00 51.44 H new ATOM 0 HB3 LYS A 115 8.770 24.464 -31.376 1.00 51.44 H new ATOM 0 HG2 LYS A 115 7.668 25.904 -30.011 1.00 14.44 H new ATOM 0 HG3 LYS A 115 8.429 24.972 -28.737 1.00 14.44 H new ATOM 0 HD2 LYS A 115 9.092 27.072 -28.069 1.00 34.01 H new ATOM 0 HD3 LYS A 115 10.433 26.702 -29.134 1.00 34.01 H new ATOM 0 HE2 LYS A 115 7.957 28.042 -30.238 1.00 30.04 H new ATOM 0 HE3 LYS A 115 9.155 28.991 -29.381 1.00 30.04 H new ATOM 0 HZ1 LYS A 115 9.821 29.109 -31.582 1.00 54.34 H new ATOM 0 HZ2 LYS A 115 10.824 27.885 -30.966 1.00 54.34 H new ATOM 0 HZ3 LYS A 115 9.467 27.479 -31.903 1.00 54.34 H new TER 1756 LYS A 115