USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 3 LYS NZ :NH3+ 169:sc= 0.733 (180deg=0) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.54 K(o=1.3,f=-6.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0 (180deg=-0.424) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= 1.26 (180deg=-0.436) USER MOD Single : A 9 THR OG1 : rot 48:sc= -0.792 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 1.12 (180deg=0.702) USER MOD Single : A 32 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.16) USER MOD Single : A 34 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.014) USER MOD Single : A 38 CYS SG : rot -8:sc=-0.00331 USER MOD Single : A 39 HIS : no HD1:sc= 0.812 K(o=0.81,f=-2.6!) USER MOD Single : A 41 SER OG : rot -1:sc= 0.461 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -120:sc= -0.87 (180deg=-1.58) USER MOD Single : A 62 SER OG : rot 86:sc= 0.315 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 1.8 (180deg=1.25) USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 0.931 (180deg=0.893) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc=-0.00108 (180deg=-0.0901) USER MOD Single : A 80 THR OG1 : rot 27:sc= 1.46 USER MOD Single : A 81 SER OG : rot 41:sc= 0.0634 USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00265 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.047 -0.611 -2.858 1.00 0.00 N1+ ATOM 2 CA MET A 1 1.426 -0.449 -2.914 1.00 52.33 C ATOM 3 C MET A 1 2.101 -1.800 -2.704 1.00 61.44 C ATOM 4 O MET A 1 2.649 -2.374 -3.643 1.00 24.35 O ATOM 5 CB MET A 1 1.887 0.571 -1.862 1.00 55.10 C ATOM 6 CG MET A 1 3.373 0.918 -1.917 1.00 33.50 C ATOM 7 SD MET A 1 4.424 -0.302 -1.098 1.00 72.11 S ATOM 8 CE MET A 1 6.043 0.421 -1.351 1.00 4.43 C ATOM 0 H1 MET A 1 -0.498 0.104 -3.464 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.305 -1.561 -3.193 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.373 -0.489 -1.878 1.00 0.00 H new ATOM 0 HA MET A 1 1.712 -0.071 -3.896 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.309 1.487 -1.986 1.00 55.10 H new ATOM 0 HB3 MET A 1 1.656 0.180 -0.871 1.00 55.10 H new ATOM 0 HG2 MET A 1 3.679 1.009 -2.959 1.00 33.50 H new ATOM 0 HG3 MET A 1 3.529 1.892 -1.452 1.00 33.50 H new ATOM 0 HE1 MET A 1 6.802 -0.219 -0.900 1.00 4.43 H new ATOM 0 HE2 MET A 1 6.236 0.515 -2.420 1.00 4.43 H new ATOM 0 HE3 MET A 1 6.078 1.407 -0.888 1.00 4.43 H new ATOM 20 N VAL A 2 2.038 -2.325 -1.482 1.00 30.21 N ATOM 21 CA VAL A 2 2.608 -3.636 -1.198 1.00 21.43 C ATOM 22 C VAL A 2 1.711 -4.724 -1.782 1.00 63.41 C ATOM 23 O VAL A 2 2.186 -5.737 -2.297 1.00 62.35 O ATOM 24 CB VAL A 2 2.825 -3.860 0.322 1.00 4.31 C ATOM 25 CG1 VAL A 2 1.514 -3.803 1.094 1.00 63.14 C ATOM 26 CG2 VAL A 2 3.542 -5.178 0.583 1.00 63.14 C ATOM 0 H VAL A 2 1.602 -1.867 -0.682 1.00 30.21 H new ATOM 0 HA VAL A 2 3.590 -3.685 -1.669 1.00 21.43 H new ATOM 0 HB VAL A 2 3.456 -3.047 0.680 1.00 4.31 H new ATOM 0 HG11 VAL A 2 1.709 -3.964 2.154 1.00 63.14 H new ATOM 0 HG12 VAL A 2 1.052 -2.826 0.955 1.00 63.14 H new ATOM 0 HG13 VAL A 2 0.841 -4.578 0.727 1.00 63.14 H new ATOM 0 HG21 VAL A 2 3.681 -5.310 1.656 1.00 63.14 H new ATOM 0 HG22 VAL A 2 2.945 -6.001 0.191 1.00 63.14 H new ATOM 0 HG23 VAL A 2 4.514 -5.167 0.089 1.00 63.14 H new ATOM 36 N LYS A 3 0.405 -4.493 -1.731 1.00 22.31 N ATOM 37 CA LYS A 3 -0.551 -5.393 -2.354 1.00 14.04 C ATOM 38 C LYS A 3 -0.923 -4.844 -3.726 1.00 12.14 C ATOM 39 O LYS A 3 -2.027 -4.341 -3.929 1.00 12.14 O ATOM 40 CB LYS A 3 -1.809 -5.542 -1.489 1.00 33.24 C ATOM 41 CG LYS A 3 -1.529 -5.878 -0.031 1.00 13.15 C ATOM 42 CD LYS A 3 -0.932 -7.268 0.142 1.00 52.45 C ATOM 43 CE LYS A 3 -0.693 -7.572 1.614 1.00 51.42 C ATOM 44 NZ LYS A 3 -0.178 -8.949 1.841 1.00 60.10 N1+ ATOM 0 H LYS A 3 -0.014 -3.689 -1.264 1.00 22.31 H new ATOM 0 HA LYS A 3 -0.097 -6.379 -2.457 1.00 14.04 H new ATOM 0 HB2 LYS A 3 -2.378 -4.614 -1.533 1.00 33.24 H new ATOM 0 HB3 LYS A 3 -2.439 -6.323 -1.915 1.00 33.24 H new ATOM 0 HG2 LYS A 3 -0.845 -5.138 0.384 1.00 13.15 H new ATOM 0 HG3 LYS A 3 -2.456 -5.811 0.539 1.00 13.15 H new ATOM 0 HD2 LYS A 3 -1.604 -8.013 -0.284 1.00 52.45 H new ATOM 0 HD3 LYS A 3 0.008 -7.336 -0.406 1.00 52.45 H new ATOM 0 HE2 LYS A 3 0.018 -6.852 2.018 1.00 51.42 H new ATOM 0 HE3 LYS A 3 -1.625 -7.442 2.163 1.00 51.42 H new ATOM 0 HZ1 LYS A 3 0.142 -9.042 2.826 1.00 60.10 H new ATOM 0 HZ2 LYS A 3 -0.935 -9.638 1.656 1.00 60.10 H new ATOM 0 HZ3 LYS A 3 0.620 -9.131 1.199 1.00 60.10 H new ATOM 58 N ASP A 4 0.024 -4.909 -4.651 1.00 41.24 N ATOM 59 CA ASP A 4 -0.156 -4.340 -5.984 1.00 21.33 C ATOM 60 C ASP A 4 0.690 -5.099 -6.995 1.00 44.24 C ATOM 61 O ASP A 4 0.167 -5.838 -7.827 1.00 51.21 O ATOM 62 CB ASP A 4 0.232 -2.853 -5.992 1.00 50.51 C ATOM 63 CG ASP A 4 -0.018 -2.177 -7.332 1.00 32.12 C ATOM 64 OD1 ASP A 4 0.704 -2.477 -8.306 1.00 52.11 O ATOM 65 OD2 ASP A 4 -0.935 -1.332 -7.410 1.00 43.50 O ATOM 0 H ASP A 4 0.931 -5.352 -4.504 1.00 41.24 H new ATOM 0 HA ASP A 4 -1.207 -4.429 -6.258 1.00 21.33 H new ATOM 0 HB2 ASP A 4 -0.333 -2.332 -5.218 1.00 50.51 H new ATOM 0 HB3 ASP A 4 1.287 -2.758 -5.735 1.00 50.51 H new ATOM 70 N GLU A 5 2.001 -4.919 -6.902 1.00 62.14 N ATOM 71 CA GLU A 5 2.933 -5.556 -7.821 1.00 31.04 C ATOM 72 C GLU A 5 3.125 -7.022 -7.452 1.00 22.34 C ATOM 73 O GLU A 5 3.178 -7.898 -8.316 1.00 61.24 O ATOM 74 CB GLU A 5 4.278 -4.828 -7.784 1.00 21.34 C ATOM 75 CG GLU A 5 5.240 -5.268 -8.875 1.00 44.13 C ATOM 76 CD GLU A 5 4.739 -4.917 -10.258 1.00 14.13 C ATOM 77 OE1 GLU A 5 4.078 -5.763 -10.891 1.00 41.24 O ATOM 78 OE2 GLU A 5 5.005 -3.788 -10.722 1.00 43.13 O ATOM 0 H GLU A 5 2.444 -4.333 -6.194 1.00 62.14 H new ATOM 0 HA GLU A 5 2.523 -5.501 -8.829 1.00 31.04 H new ATOM 0 HB2 GLU A 5 4.104 -3.756 -7.876 1.00 21.34 H new ATOM 0 HB3 GLU A 5 4.744 -4.993 -6.813 1.00 21.34 H new ATOM 0 HG2 GLU A 5 6.210 -4.798 -8.712 1.00 44.13 H new ATOM 0 HG3 GLU A 5 5.393 -6.345 -8.809 1.00 44.13 H new ATOM 85 N LYS A 6 3.223 -7.282 -6.160 1.00 15.32 N ATOM 86 CA LYS A 6 3.413 -8.635 -5.669 1.00 41.25 C ATOM 87 C LYS A 6 2.124 -9.167 -5.064 1.00 2.33 C ATOM 88 O LYS A 6 1.168 -8.412 -4.873 1.00 24.35 O ATOM 89 CB LYS A 6 4.540 -8.667 -4.638 1.00 60.34 C ATOM 90 CG LYS A 6 5.907 -8.396 -5.239 1.00 11.10 C ATOM 91 CD LYS A 6 6.957 -8.192 -4.165 1.00 70.24 C ATOM 92 CE LYS A 6 8.342 -8.043 -4.771 1.00 25.45 C ATOM 93 NZ LYS A 6 9.348 -7.650 -3.752 1.00 33.20 N1+ ATOM 0 H LYS A 6 3.174 -6.571 -5.430 1.00 15.32 H new ATOM 0 HA LYS A 6 3.688 -9.275 -6.507 1.00 41.25 H new ATOM 0 HB2 LYS A 6 4.337 -7.927 -3.864 1.00 60.34 H new ATOM 0 HB3 LYS A 6 4.551 -9.642 -4.151 1.00 60.34 H new ATOM 0 HG2 LYS A 6 6.196 -9.230 -5.878 1.00 11.10 H new ATOM 0 HG3 LYS A 6 5.857 -7.511 -5.873 1.00 11.10 H new ATOM 0 HD2 LYS A 6 6.715 -7.304 -3.581 1.00 70.24 H new ATOM 0 HD3 LYS A 6 6.947 -9.038 -3.478 1.00 70.24 H new ATOM 0 HE2 LYS A 6 8.640 -8.984 -5.233 1.00 25.45 H new ATOM 0 HE3 LYS A 6 8.314 -7.294 -5.563 1.00 25.45 H new ATOM 0 HZ1 LYS A 6 10.281 -7.558 -4.203 1.00 33.20 H new ATOM 0 HZ2 LYS A 6 9.076 -6.740 -3.329 1.00 33.20 H new ATOM 0 HZ3 LYS A 6 9.392 -8.377 -3.010 1.00 33.20 H new ATOM 107 N SER A 7 2.114 -10.469 -4.780 1.00 24.32 N ATOM 108 CA SER A 7 0.949 -11.152 -4.221 1.00 71.43 C ATOM 109 C SER A 7 -0.179 -11.259 -5.249 1.00 75.15 C ATOM 110 O SER A 7 -1.332 -11.498 -4.893 1.00 34.43 O ATOM 111 CB SER A 7 0.459 -10.454 -2.947 1.00 10.02 C ATOM 112 OG SER A 7 1.472 -10.442 -1.950 1.00 4.42 O ATOM 0 H SER A 7 2.916 -11.081 -4.932 1.00 24.32 H new ATOM 0 HA SER A 7 1.257 -12.163 -3.956 1.00 71.43 H new ATOM 0 HB2 SER A 7 0.161 -9.432 -3.180 1.00 10.02 H new ATOM 0 HB3 SER A 7 -0.425 -10.965 -2.566 1.00 10.02 H new ATOM 0 HG SER A 7 1.136 -9.990 -1.148 1.00 4.42 H new ATOM 118 N LYS A 8 0.168 -11.099 -6.529 1.00 1.42 N ATOM 119 CA LYS A 8 -0.787 -11.309 -7.615 1.00 44.54 C ATOM 120 C LYS A 8 -1.114 -12.788 -7.733 1.00 33.10 C ATOM 121 O LYS A 8 -2.190 -13.168 -8.195 1.00 5.13 O ATOM 122 CB LYS A 8 -0.228 -10.807 -8.944 1.00 43.21 C ATOM 123 CG LYS A 8 -0.065 -9.301 -9.018 1.00 21.00 C ATOM 124 CD LYS A 8 0.570 -8.895 -10.335 1.00 14.31 C ATOM 125 CE LYS A 8 0.774 -7.393 -10.432 1.00 61.24 C ATOM 126 NZ LYS A 8 1.743 -7.037 -11.500 1.00 44.24 N1+ ATOM 0 H LYS A 8 1.101 -10.825 -6.836 1.00 1.42 H new ATOM 0 HA LYS A 8 -1.691 -10.746 -7.385 1.00 44.54 H new ATOM 0 HB2 LYS A 8 0.741 -11.276 -9.119 1.00 43.21 H new ATOM 0 HB3 LYS A 8 -0.888 -11.130 -9.749 1.00 43.21 H new ATOM 0 HG2 LYS A 8 -1.037 -8.819 -8.913 1.00 21.00 H new ATOM 0 HG3 LYS A 8 0.553 -8.956 -8.189 1.00 21.00 H new ATOM 0 HD2 LYS A 8 1.530 -9.399 -10.444 1.00 14.31 H new ATOM 0 HD3 LYS A 8 -0.061 -9.229 -11.159 1.00 14.31 H new ATOM 0 HE2 LYS A 8 -0.182 -6.908 -10.632 1.00 61.24 H new ATOM 0 HE3 LYS A 8 1.131 -7.012 -9.475 1.00 61.24 H new ATOM 0 HZ1 LYS A 8 2.409 -6.323 -11.141 1.00 44.24 H new ATOM 0 HZ2 LYS A 8 2.269 -7.886 -11.789 1.00 44.24 H new ATOM 0 HZ3 LYS A 8 1.231 -6.652 -12.319 1.00 44.24 H new ATOM 140 N THR A 9 -0.158 -13.615 -7.335 1.00 51.40 N ATOM 141 CA THR A 9 -0.366 -15.045 -7.251 1.00 14.14 C ATOM 142 C THR A 9 -1.352 -15.341 -6.130 1.00 33.42 C ATOM 143 O THR A 9 -0.976 -15.434 -4.959 1.00 71.53 O ATOM 144 CB THR A 9 0.963 -15.766 -6.991 1.00 62.13 C ATOM 145 OG1 THR A 9 1.647 -15.123 -5.907 1.00 45.53 O ATOM 146 CG2 THR A 9 1.839 -15.750 -8.235 1.00 54.34 C ATOM 0 H THR A 9 0.777 -13.311 -7.064 1.00 51.40 H new ATOM 0 HA THR A 9 -0.770 -15.406 -8.197 1.00 14.14 H new ATOM 0 HB THR A 9 0.755 -16.804 -6.733 1.00 62.13 H new ATOM 0 HG1 THR A 9 1.026 -14.992 -5.160 1.00 45.53 H new ATOM 0 HG21 THR A 9 2.776 -16.267 -8.027 1.00 54.34 H new ATOM 0 HG22 THR A 9 1.321 -16.253 -9.051 1.00 54.34 H new ATOM 0 HG23 THR A 9 2.049 -14.719 -8.519 1.00 54.34 H new ATOM 154 N LEU A 10 -2.615 -15.453 -6.492 1.00 4.42 N ATOM 155 CA LEU A 10 -3.681 -15.482 -5.516 1.00 63.04 C ATOM 156 C LEU A 10 -4.721 -16.535 -5.878 1.00 21.43 C ATOM 157 O LEU A 10 -5.036 -16.738 -7.054 1.00 34.55 O ATOM 158 CB LEU A 10 -4.295 -14.076 -5.442 1.00 2.40 C ATOM 159 CG LEU A 10 -5.447 -13.877 -4.459 1.00 12.23 C ATOM 160 CD1 LEU A 10 -5.362 -12.490 -3.839 1.00 33.31 C ATOM 161 CD2 LEU A 10 -6.782 -14.048 -5.168 1.00 42.05 C ATOM 0 H LEU A 10 -2.927 -15.526 -7.460 1.00 4.42 H new ATOM 0 HA LEU A 10 -3.290 -15.759 -4.537 1.00 63.04 H new ATOM 0 HB2 LEU A 10 -3.503 -13.373 -5.184 1.00 2.40 H new ATOM 0 HB3 LEU A 10 -4.648 -13.807 -6.438 1.00 2.40 H new ATOM 0 HG LEU A 10 -5.371 -14.627 -3.672 1.00 12.23 H new ATOM 0 HD11 LEU A 10 -6.186 -12.353 -3.139 1.00 33.31 H new ATOM 0 HD12 LEU A 10 -4.415 -12.385 -3.310 1.00 33.31 H new ATOM 0 HD13 LEU A 10 -5.424 -11.736 -4.624 1.00 33.31 H new ATOM 0 HD21 LEU A 10 -7.594 -13.903 -4.455 1.00 42.05 H new ATOM 0 HD22 LEU A 10 -6.866 -13.312 -5.968 1.00 42.05 H new ATOM 0 HD23 LEU A 10 -6.844 -15.051 -5.590 1.00 42.05 H new ATOM 173 N PHE A 11 -5.230 -17.212 -4.862 1.00 70.30 N ATOM 174 CA PHE A 11 -6.252 -18.224 -5.041 1.00 34.34 C ATOM 175 C PHE A 11 -7.581 -17.687 -4.528 1.00 25.35 C ATOM 176 O PHE A 11 -7.620 -16.939 -3.551 1.00 4.52 O ATOM 177 CB PHE A 11 -5.862 -19.507 -4.300 1.00 45.10 C ATOM 178 CG PHE A 11 -6.763 -20.675 -4.584 1.00 31.22 C ATOM 179 CD1 PHE A 11 -6.643 -21.385 -5.767 1.00 52.42 C ATOM 180 CD2 PHE A 11 -7.726 -21.063 -3.668 1.00 73.31 C ATOM 181 CE1 PHE A 11 -7.465 -22.461 -6.030 1.00 51.42 C ATOM 182 CE2 PHE A 11 -8.552 -22.140 -3.927 1.00 63.14 C ATOM 183 CZ PHE A 11 -8.422 -22.839 -5.110 1.00 42.04 C ATOM 0 H PHE A 11 -4.945 -17.074 -3.892 1.00 70.30 H new ATOM 0 HA PHE A 11 -6.349 -18.463 -6.100 1.00 34.34 H new ATOM 0 HB2 PHE A 11 -4.841 -19.775 -4.571 1.00 45.10 H new ATOM 0 HB3 PHE A 11 -5.866 -19.311 -3.228 1.00 45.10 H new ATOM 0 HD1 PHE A 11 -5.897 -21.093 -6.492 1.00 52.42 H new ATOM 0 HD2 PHE A 11 -7.833 -20.518 -2.742 1.00 73.31 H new ATOM 0 HE1 PHE A 11 -7.360 -23.008 -6.956 1.00 51.42 H new ATOM 0 HE2 PHE A 11 -9.299 -22.435 -3.204 1.00 63.14 H new ATOM 0 HZ PHE A 11 -9.068 -23.680 -5.315 1.00 42.04 H new ATOM 193 N GLU A 12 -8.659 -18.043 -5.198 1.00 44.40 N ATOM 194 CA GLU A 12 -9.968 -17.518 -4.859 1.00 45.21 C ATOM 195 C GLU A 12 -10.899 -18.635 -4.408 1.00 43.23 C ATOM 196 O GLU A 12 -11.118 -19.609 -5.131 1.00 3.10 O ATOM 197 CB GLU A 12 -10.545 -16.792 -6.068 1.00 44.43 C ATOM 198 CG GLU A 12 -9.619 -15.711 -6.606 1.00 14.15 C ATOM 199 CD GLU A 12 -9.934 -15.348 -8.041 1.00 64.11 C ATOM 200 OE1 GLU A 12 -10.696 -14.387 -8.271 1.00 63.13 O ATOM 201 OE2 GLU A 12 -9.416 -16.029 -8.954 1.00 33.12 O ATOM 0 H GLU A 12 -8.655 -18.695 -5.982 1.00 44.40 H new ATOM 0 HA GLU A 12 -9.869 -16.816 -4.031 1.00 45.21 H new ATOM 0 HB2 GLU A 12 -10.748 -17.516 -6.857 1.00 44.43 H new ATOM 0 HB3 GLU A 12 -11.500 -16.343 -5.794 1.00 44.43 H new ATOM 0 HG2 GLU A 12 -9.701 -14.821 -5.982 1.00 14.15 H new ATOM 0 HG3 GLU A 12 -8.586 -16.053 -6.538 1.00 14.15 H new ATOM 208 N VAL A 13 -11.433 -18.492 -3.208 1.00 44.21 N ATOM 209 CA VAL A 13 -12.321 -19.493 -2.640 1.00 13.13 C ATOM 210 C VAL A 13 -13.745 -18.961 -2.549 1.00 12.54 C ATOM 211 O VAL A 13 -13.968 -17.821 -2.140 1.00 51.41 O ATOM 212 CB VAL A 13 -11.850 -19.926 -1.231 1.00 3.15 C ATOM 213 CG1 VAL A 13 -12.792 -20.955 -0.627 1.00 63.43 C ATOM 214 CG2 VAL A 13 -10.435 -20.472 -1.288 1.00 33.35 C ATOM 0 H VAL A 13 -11.266 -17.687 -2.604 1.00 44.21 H new ATOM 0 HA VAL A 13 -12.298 -20.359 -3.302 1.00 13.13 H new ATOM 0 HB VAL A 13 -11.860 -19.045 -0.590 1.00 3.15 H new ATOM 0 HG11 VAL A 13 -12.434 -21.239 0.363 1.00 63.43 H new ATOM 0 HG12 VAL A 13 -13.791 -20.528 -0.543 1.00 63.43 H new ATOM 0 HG13 VAL A 13 -12.827 -21.836 -1.267 1.00 63.43 H new ATOM 0 HG21 VAL A 13 -10.120 -20.772 -0.288 1.00 33.35 H new ATOM 0 HG22 VAL A 13 -10.405 -21.336 -1.952 1.00 33.35 H new ATOM 0 HG23 VAL A 13 -9.762 -19.701 -1.664 1.00 33.35 H new ATOM 224 N GLU A 14 -14.703 -19.786 -2.935 1.00 32.32 N ATOM 225 CA GLU A 14 -16.106 -19.435 -2.805 1.00 3.03 C ATOM 226 C GLU A 14 -16.694 -20.116 -1.575 1.00 4.15 C ATOM 227 O GLU A 14 -16.790 -21.342 -1.522 1.00 25.42 O ATOM 228 CB GLU A 14 -16.873 -19.852 -4.061 1.00 33.43 C ATOM 229 CG GLU A 14 -16.398 -19.153 -5.326 1.00 14.41 C ATOM 230 CD GLU A 14 -17.096 -19.660 -6.570 1.00 52.44 C ATOM 231 OE1 GLU A 14 -16.460 -20.385 -7.359 1.00 52.21 O ATOM 232 OE2 GLU A 14 -18.288 -19.343 -6.761 1.00 24.42 O ATOM 0 H GLU A 14 -14.534 -20.706 -3.342 1.00 32.32 H new ATOM 0 HA GLU A 14 -16.195 -18.355 -2.689 1.00 3.03 H new ATOM 0 HB2 GLU A 14 -16.777 -20.930 -4.194 1.00 33.43 H new ATOM 0 HB3 GLU A 14 -17.933 -19.642 -3.916 1.00 33.43 H new ATOM 0 HG2 GLU A 14 -16.569 -18.081 -5.230 1.00 14.41 H new ATOM 0 HG3 GLU A 14 -15.323 -19.296 -5.434 1.00 14.41 H new ATOM 239 N GLY A 15 -17.073 -19.320 -0.587 1.00 11.04 N ATOM 240 CA GLY A 15 -17.616 -19.868 0.640 1.00 34.20 C ATOM 241 C GLY A 15 -18.644 -18.949 1.259 1.00 14.40 C ATOM 242 O GLY A 15 -19.273 -18.162 0.556 1.00 51.23 O ATOM 0 H GLY A 15 -17.014 -18.302 -0.612 1.00 11.04 H new ATOM 0 HA2 GLY A 15 -18.071 -20.837 0.435 1.00 34.20 H new ATOM 0 HA3 GLY A 15 -16.807 -20.040 1.350 1.00 34.20 H new ATOM 246 N ALA A 16 -18.819 -19.042 2.570 1.00 10.21 N ATOM 247 CA ALA A 16 -19.761 -18.186 3.279 1.00 54.33 C ATOM 248 C ALA A 16 -19.275 -17.922 4.698 1.00 3.11 C ATOM 249 O ALA A 16 -18.695 -18.803 5.332 1.00 22.25 O ATOM 250 CB ALA A 16 -21.147 -18.816 3.302 1.00 44.21 C ATOM 0 H ALA A 16 -18.320 -19.703 3.165 1.00 10.21 H new ATOM 0 HA ALA A 16 -19.825 -17.235 2.750 1.00 54.33 H new ATOM 0 HB1 ALA A 16 -21.836 -18.161 3.836 1.00 44.21 H new ATOM 0 HB2 ALA A 16 -21.499 -18.957 2.280 1.00 44.21 H new ATOM 0 HB3 ALA A 16 -21.100 -19.781 3.806 1.00 44.21 H new ATOM 256 N VAL A 17 -19.508 -16.713 5.189 1.00 1.13 N ATOM 257 CA VAL A 17 -19.090 -16.333 6.537 1.00 31.33 C ATOM 258 C VAL A 17 -19.898 -17.105 7.584 1.00 53.35 C ATOM 259 O VAL A 17 -21.078 -17.388 7.377 1.00 3.31 O ATOM 260 CB VAL A 17 -19.236 -14.806 6.754 1.00 63.51 C ATOM 261 CG1 VAL A 17 -20.679 -14.367 6.566 1.00 64.31 C ATOM 262 CG2 VAL A 17 -18.717 -14.394 8.126 1.00 44.32 C ATOM 0 H VAL A 17 -19.986 -15.974 4.674 1.00 1.13 H new ATOM 0 HA VAL A 17 -18.037 -16.590 6.651 1.00 31.33 H new ATOM 0 HB VAL A 17 -18.628 -14.302 6.002 1.00 63.51 H new ATOM 0 HG11 VAL A 17 -20.755 -13.291 6.724 1.00 64.31 H new ATOM 0 HG12 VAL A 17 -21.004 -14.610 5.554 1.00 64.31 H new ATOM 0 HG13 VAL A 17 -21.314 -14.885 7.285 1.00 64.31 H new ATOM 0 HG21 VAL A 17 -18.832 -13.317 8.250 1.00 44.32 H new ATOM 0 HG22 VAL A 17 -19.284 -14.911 8.900 1.00 44.32 H new ATOM 0 HG23 VAL A 17 -17.663 -14.658 8.211 1.00 44.32 H new ATOM 272 N THR A 18 -19.254 -17.488 8.682 1.00 14.04 N ATOM 273 CA THR A 18 -19.939 -18.229 9.729 1.00 33.33 C ATOM 274 C THR A 18 -20.178 -17.346 10.958 1.00 51.44 C ATOM 275 O THR A 18 -21.199 -17.478 11.635 1.00 73.24 O ATOM 276 CB THR A 18 -19.167 -19.517 10.121 1.00 73.25 C ATOM 277 OG1 THR A 18 -19.986 -20.351 10.945 1.00 63.33 O ATOM 278 CG2 THR A 18 -17.870 -19.205 10.854 1.00 14.24 C ATOM 0 H THR A 18 -18.269 -17.299 8.867 1.00 14.04 H new ATOM 0 HA THR A 18 -20.907 -18.534 9.330 1.00 33.33 H new ATOM 0 HB THR A 18 -18.917 -20.036 9.196 1.00 73.25 H new ATOM 0 HG1 THR A 18 -19.490 -21.161 11.185 1.00 63.33 H new ATOM 0 HG21 THR A 18 -17.363 -20.136 11.109 1.00 14.24 H new ATOM 0 HG22 THR A 18 -17.225 -18.604 10.213 1.00 14.24 H new ATOM 0 HG23 THR A 18 -18.092 -18.651 11.766 1.00 14.24 H new ATOM 286 N ALA A 19 -19.245 -16.433 11.228 1.00 24.51 N ATOM 287 CA ALA A 19 -19.354 -15.526 12.366 1.00 20.22 C ATOM 288 C ALA A 19 -18.361 -14.380 12.225 1.00 73.55 C ATOM 289 O ALA A 19 -17.371 -14.496 11.499 1.00 13.52 O ATOM 290 CB ALA A 19 -19.112 -16.272 13.672 1.00 65.43 C ATOM 0 H ALA A 19 -18.401 -16.303 10.669 1.00 24.51 H new ATOM 0 HA ALA A 19 -20.364 -15.117 12.383 1.00 20.22 H new ATOM 0 HB1 ALA A 19 -19.198 -15.578 14.508 1.00 65.43 H new ATOM 0 HB2 ALA A 19 -19.852 -17.065 13.781 1.00 65.43 H new ATOM 0 HB3 ALA A 19 -18.113 -16.707 13.663 1.00 65.43 H new ATOM 296 N LEU A 20 -18.627 -13.276 12.911 1.00 12.41 N ATOM 297 CA LEU A 20 -17.722 -12.137 12.888 1.00 10.41 C ATOM 298 C LEU A 20 -17.200 -11.854 14.290 1.00 72.43 C ATOM 299 O LEU A 20 -17.841 -12.198 15.285 1.00 4.52 O ATOM 300 CB LEU A 20 -18.402 -10.882 12.314 1.00 64.15 C ATOM 301 CG LEU A 20 -19.347 -10.122 13.258 1.00 73.11 C ATOM 302 CD1 LEU A 20 -19.722 -8.777 12.655 1.00 22.33 C ATOM 303 CD2 LEU A 20 -20.601 -10.932 13.553 1.00 51.54 C ATOM 0 H LEU A 20 -19.458 -13.146 13.487 1.00 12.41 H new ATOM 0 HA LEU A 20 -16.887 -12.390 12.235 1.00 10.41 H new ATOM 0 HB2 LEU A 20 -17.624 -10.194 11.983 1.00 64.15 H new ATOM 0 HB3 LEU A 20 -18.967 -11.175 11.429 1.00 64.15 H new ATOM 0 HG LEU A 20 -18.822 -9.958 14.199 1.00 73.11 H new ATOM 0 HD11 LEU A 20 -20.392 -8.248 13.333 1.00 22.33 H new ATOM 0 HD12 LEU A 20 -18.821 -8.184 12.499 1.00 22.33 H new ATOM 0 HD13 LEU A 20 -20.223 -8.934 11.700 1.00 22.33 H new ATOM 0 HD21 LEU A 20 -21.249 -10.368 14.223 1.00 51.54 H new ATOM 0 HD22 LEU A 20 -21.130 -11.135 12.622 1.00 51.54 H new ATOM 0 HD23 LEU A 20 -20.323 -11.874 14.025 1.00 51.54 H new ATOM 315 N LEU A 21 -16.031 -11.245 14.361 1.00 32.33 N ATOM 316 CA LEU A 21 -15.415 -10.917 15.635 1.00 55.03 C ATOM 317 C LEU A 21 -15.275 -9.407 15.781 1.00 12.42 C ATOM 318 O LEU A 21 -15.243 -8.687 14.782 1.00 23.25 O ATOM 319 CB LEU A 21 -14.040 -11.590 15.766 1.00 51.02 C ATOM 320 CG LEU A 21 -14.060 -13.077 16.143 1.00 60.30 C ATOM 321 CD1 LEU A 21 -14.583 -13.931 14.999 1.00 63.14 C ATOM 322 CD2 LEU A 21 -12.672 -13.537 16.561 1.00 54.52 C ATOM 0 H LEU A 21 -15.485 -10.966 13.546 1.00 32.33 H new ATOM 0 HA LEU A 21 -16.059 -11.291 16.431 1.00 55.03 H new ATOM 0 HB2 LEU A 21 -13.511 -11.481 14.819 1.00 51.02 H new ATOM 0 HB3 LEU A 21 -13.462 -11.051 16.517 1.00 51.02 H new ATOM 0 HG LEU A 21 -14.739 -13.200 16.987 1.00 60.30 H new ATOM 0 HD11 LEU A 21 -14.584 -14.979 15.298 1.00 63.14 H new ATOM 0 HD12 LEU A 21 -15.599 -13.623 14.750 1.00 63.14 H new ATOM 0 HD13 LEU A 21 -13.941 -13.804 14.127 1.00 63.14 H new ATOM 0 HD21 LEU A 21 -12.703 -14.594 16.825 1.00 54.52 H new ATOM 0 HD22 LEU A 21 -11.976 -13.390 15.735 1.00 54.52 H new ATOM 0 HD23 LEU A 21 -12.341 -12.957 17.422 1.00 54.52 H new ATOM 334 N PRO A 22 -15.175 -8.912 17.031 1.00 54.11 N ATOM 335 CA PRO A 22 -15.039 -7.474 17.329 1.00 30.24 C ATOM 336 C PRO A 22 -13.715 -6.883 16.835 1.00 31.32 C ATOM 337 O PRO A 22 -13.388 -5.731 17.122 1.00 24.25 O ATOM 338 CB PRO A 22 -15.098 -7.413 18.861 1.00 74.42 C ATOM 339 CG PRO A 22 -15.652 -8.726 19.293 1.00 12.43 C ATOM 340 CD PRO A 22 -15.207 -9.715 18.263 1.00 53.53 C ATOM 0 HA PRO A 22 -15.814 -6.894 16.828 1.00 30.24 H new ATOM 0 HB2 PRO A 22 -14.108 -7.247 19.285 1.00 74.42 H new ATOM 0 HB3 PRO A 22 -15.731 -6.591 19.197 1.00 74.42 H new ATOM 0 HG2 PRO A 22 -15.284 -8.999 20.282 1.00 12.43 H new ATOM 0 HG3 PRO A 22 -16.740 -8.690 19.356 1.00 12.43 H new ATOM 0 HD2 PRO A 22 -14.228 -10.132 18.499 1.00 53.53 H new ATOM 0 HD3 PRO A 22 -15.899 -10.553 18.182 1.00 53.53 H new ATOM 348 N ALA A 23 -12.958 -7.683 16.103 1.00 61.35 N ATOM 349 CA ALA A 23 -11.710 -7.241 15.503 1.00 61.40 C ATOM 350 C ALA A 23 -11.911 -6.985 14.015 1.00 75.55 C ATOM 351 O ALA A 23 -10.965 -7.060 13.225 1.00 73.21 O ATOM 352 CB ALA A 23 -10.629 -8.288 15.722 1.00 1.50 C ATOM 0 H ALA A 23 -13.191 -8.657 15.908 1.00 61.35 H new ATOM 0 HA ALA A 23 -11.395 -6.311 15.977 1.00 61.40 H new ATOM 0 HB1 ALA A 23 -9.697 -7.949 15.269 1.00 1.50 H new ATOM 0 HB2 ALA A 23 -10.479 -8.438 16.791 1.00 1.50 H new ATOM 0 HB3 ALA A 23 -10.935 -9.228 15.263 1.00 1.50 H new ATOM 358 N ALA A 24 -13.163 -6.696 13.643 1.00 73.33 N ATOM 359 CA ALA A 24 -13.541 -6.483 12.244 1.00 4.24 C ATOM 360 C ALA A 24 -13.199 -7.715 11.418 1.00 45.23 C ATOM 361 O ALA A 24 -12.958 -7.636 10.210 1.00 34.12 O ATOM 362 CB ALA A 24 -12.856 -5.242 11.680 1.00 24.35 C ATOM 0 H ALA A 24 -13.938 -6.604 14.300 1.00 73.33 H new ATOM 0 HA ALA A 24 -14.618 -6.320 12.195 1.00 4.24 H new ATOM 0 HB1 ALA A 24 -13.152 -5.104 10.640 1.00 24.35 H new ATOM 0 HB2 ALA A 24 -13.152 -4.368 12.260 1.00 24.35 H new ATOM 0 HB3 ALA A 24 -11.775 -5.366 11.736 1.00 24.35 H new ATOM 368 N GLU A 25 -13.201 -8.857 12.085 1.00 4.20 N ATOM 369 CA GLU A 25 -12.781 -10.103 11.481 1.00 73.52 C ATOM 370 C GLU A 25 -13.985 -10.910 11.035 1.00 4.11 C ATOM 371 O GLU A 25 -14.976 -11.012 11.757 1.00 13.21 O ATOM 372 CB GLU A 25 -11.943 -10.901 12.482 1.00 30.44 C ATOM 373 CG GLU A 25 -11.429 -12.221 11.942 1.00 73.04 C ATOM 374 CD GLU A 25 -10.485 -12.904 12.905 1.00 65.44 C ATOM 375 OE1 GLU A 25 -9.292 -12.539 12.920 1.00 75.13 O ATOM 376 OE2 GLU A 25 -10.932 -13.805 13.645 1.00 34.05 O ATOM 0 H GLU A 25 -13.494 -8.943 13.058 1.00 4.20 H new ATOM 0 HA GLU A 25 -12.174 -9.885 10.602 1.00 73.52 H new ATOM 0 HB2 GLU A 25 -11.094 -10.293 12.796 1.00 30.44 H new ATOM 0 HB3 GLU A 25 -12.543 -11.093 13.371 1.00 30.44 H new ATOM 0 HG2 GLU A 25 -12.272 -12.880 11.734 1.00 73.04 H new ATOM 0 HG3 GLU A 25 -10.918 -12.050 10.995 1.00 73.04 H new ATOM 383 N PHE A 26 -13.893 -11.474 9.845 1.00 34.25 N ATOM 384 CA PHE A 26 -14.949 -12.310 9.316 1.00 74.14 C ATOM 385 C PHE A 26 -14.396 -13.691 9.025 1.00 11.10 C ATOM 386 O PHE A 26 -13.566 -13.861 8.137 1.00 55.12 O ATOM 387 CB PHE A 26 -15.538 -11.698 8.043 1.00 31.11 C ATOM 388 CG PHE A 26 -16.101 -10.319 8.239 1.00 53.24 C ATOM 389 CD1 PHE A 26 -17.358 -10.141 8.796 1.00 54.24 C ATOM 390 CD2 PHE A 26 -15.373 -9.200 7.865 1.00 2.32 C ATOM 391 CE1 PHE A 26 -17.877 -8.874 8.978 1.00 53.13 C ATOM 392 CE2 PHE A 26 -15.887 -7.931 8.044 1.00 4.43 C ATOM 393 CZ PHE A 26 -17.140 -7.767 8.601 1.00 41.32 C ATOM 0 H PHE A 26 -13.091 -11.366 9.224 1.00 34.25 H new ATOM 0 HA PHE A 26 -15.746 -12.385 10.055 1.00 74.14 H new ATOM 0 HB2 PHE A 26 -14.763 -11.659 7.277 1.00 31.11 H new ATOM 0 HB3 PHE A 26 -16.325 -12.352 7.667 1.00 31.11 H new ATOM 0 HD1 PHE A 26 -17.938 -11.003 9.091 1.00 54.24 H new ATOM 0 HD2 PHE A 26 -14.393 -9.322 7.429 1.00 2.32 H new ATOM 0 HE1 PHE A 26 -18.857 -8.748 9.414 1.00 53.13 H new ATOM 0 HE2 PHE A 26 -15.310 -7.067 7.749 1.00 4.43 H new ATOM 0 HZ PHE A 26 -17.544 -6.775 8.742 1.00 41.32 H new ATOM 403 N ARG A 27 -14.830 -14.670 9.790 1.00 0.03 N ATOM 404 CA ARG A 27 -14.358 -16.029 9.609 1.00 74.03 C ATOM 405 C ARG A 27 -15.401 -16.829 8.850 1.00 4.01 C ATOM 406 O ARG A 27 -16.567 -16.891 9.246 1.00 3.30 O ATOM 407 CB ARG A 27 -14.030 -16.657 10.966 1.00 52.34 C ATOM 408 CG ARG A 27 -12.968 -15.874 11.723 1.00 13.52 C ATOM 409 CD ARG A 27 -12.845 -16.314 13.171 1.00 54.10 C ATOM 410 NE ARG A 27 -11.941 -17.452 13.358 1.00 41.33 N ATOM 411 CZ ARG A 27 -10.892 -17.418 14.185 1.00 71.52 C ATOM 412 NH1 ARG A 27 -10.518 -16.266 14.730 1.00 22.23 N ATOM 413 NH2 ARG A 27 -10.185 -18.518 14.427 1.00 2.11 N ATOM 0 H ARG A 27 -15.508 -14.552 10.543 1.00 0.03 H new ATOM 0 HA ARG A 27 -13.440 -16.029 9.021 1.00 74.03 H new ATOM 0 HB2 ARG A 27 -14.937 -16.710 11.568 1.00 52.34 H new ATOM 0 HB3 ARG A 27 -13.686 -17.680 10.817 1.00 52.34 H new ATOM 0 HG2 ARG A 27 -12.006 -15.998 11.226 1.00 13.52 H new ATOM 0 HG3 ARG A 27 -13.210 -14.812 11.688 1.00 13.52 H new ATOM 0 HD2 ARG A 27 -12.490 -15.475 13.769 1.00 54.10 H new ATOM 0 HD3 ARG A 27 -13.833 -16.578 13.548 1.00 54.10 H new ATOM 0 HE ARG A 27 -12.120 -18.308 12.834 1.00 41.33 H new ATOM 0 HH11 ARG A 27 -11.031 -15.411 14.517 1.00 22.23 H new ATOM 0 HH12 ARG A 27 -9.718 -16.237 15.362 1.00 22.23 H new ATOM 0 HH21 ARG A 27 -10.442 -19.398 13.980 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -9.386 -18.482 15.060 1.00 2.11 H new ATOM 427 N VAL A 28 -14.988 -17.409 7.736 1.00 71.11 N ATOM 428 CA VAL A 28 -15.914 -18.076 6.840 1.00 33.34 C ATOM 429 C VAL A 28 -15.705 -19.583 6.875 1.00 24.40 C ATOM 430 O VAL A 28 -14.621 -20.057 7.223 1.00 24.40 O ATOM 431 CB VAL A 28 -15.760 -17.559 5.389 1.00 74.24 C ATOM 432 CG1 VAL A 28 -15.870 -16.042 5.348 1.00 35.11 C ATOM 433 CG2 VAL A 28 -14.444 -18.016 4.778 1.00 72.51 C ATOM 0 H VAL A 28 -14.015 -17.431 7.431 1.00 71.11 H new ATOM 0 HA VAL A 28 -16.924 -17.849 7.182 1.00 33.34 H new ATOM 0 HB VAL A 28 -16.570 -17.983 4.795 1.00 74.24 H new ATOM 0 HG11 VAL A 28 -15.759 -15.697 4.320 1.00 35.11 H new ATOM 0 HG12 VAL A 28 -16.844 -15.737 5.730 1.00 35.11 H new ATOM 0 HG13 VAL A 28 -15.085 -15.604 5.964 1.00 35.11 H new ATOM 0 HG21 VAL A 28 -14.365 -17.637 3.759 1.00 72.51 H new ATOM 0 HG22 VAL A 28 -13.614 -17.633 5.373 1.00 72.51 H new ATOM 0 HG23 VAL A 28 -14.408 -19.105 4.764 1.00 72.51 H new ATOM 443 N LYS A 29 -16.739 -20.334 6.527 1.00 2.11 N ATOM 444 CA LYS A 29 -16.632 -21.779 6.505 1.00 44.25 C ATOM 445 C LYS A 29 -16.730 -22.295 5.074 1.00 64.34 C ATOM 446 O LYS A 29 -17.645 -21.940 4.325 1.00 54.23 O ATOM 447 CB LYS A 29 -17.693 -22.449 7.402 1.00 5.31 C ATOM 448 CG LYS A 29 -19.117 -22.441 6.850 1.00 3.20 C ATOM 449 CD LYS A 29 -19.833 -21.122 7.093 1.00 24.31 C ATOM 450 CE LYS A 29 -21.224 -21.133 6.472 1.00 40.30 C ATOM 451 NZ LYS A 29 -22.047 -19.962 6.885 1.00 41.22 N1+ ATOM 0 H LYS A 29 -17.653 -19.968 6.259 1.00 2.11 H new ATOM 0 HA LYS A 29 -15.655 -22.044 6.910 1.00 44.25 H new ATOM 0 HB2 LYS A 29 -17.395 -23.483 7.578 1.00 5.31 H new ATOM 0 HB3 LYS A 29 -17.694 -21.949 8.370 1.00 5.31 H new ATOM 0 HG2 LYS A 29 -19.088 -22.642 5.779 1.00 3.20 H new ATOM 0 HG3 LYS A 29 -19.686 -23.249 7.311 1.00 3.20 H new ATOM 0 HD2 LYS A 29 -19.911 -20.938 8.165 1.00 24.31 H new ATOM 0 HD3 LYS A 29 -19.249 -20.304 6.671 1.00 24.31 H new ATOM 0 HE2 LYS A 29 -21.133 -21.143 5.386 1.00 40.30 H new ATOM 0 HE3 LYS A 29 -21.737 -22.051 6.757 1.00 40.30 H new ATOM 0 HZ1 LYS A 29 -22.759 -19.763 6.154 1.00 41.22 H new ATOM 0 HZ2 LYS A 29 -22.524 -20.173 7.785 1.00 41.22 H new ATOM 0 HZ3 LYS A 29 -21.433 -19.131 7.006 1.00 41.22 H new ATOM 465 N LEU A 30 -15.753 -23.093 4.689 1.00 61.31 N ATOM 466 CA LEU A 30 -15.761 -23.760 3.400 1.00 73.11 C ATOM 467 C LEU A 30 -16.726 -24.938 3.454 1.00 42.14 C ATOM 468 O LEU A 30 -16.900 -25.541 4.513 1.00 74.23 O ATOM 469 CB LEU A 30 -14.344 -24.242 3.060 1.00 25.11 C ATOM 470 CG LEU A 30 -14.180 -24.949 1.711 1.00 10.53 C ATOM 471 CD1 LEU A 30 -14.433 -23.988 0.560 1.00 52.34 C ATOM 472 CD2 LEU A 30 -12.790 -25.555 1.598 1.00 54.35 C ATOM 0 H LEU A 30 -14.932 -23.297 5.259 1.00 61.31 H new ATOM 0 HA LEU A 30 -16.087 -23.067 2.625 1.00 73.11 H new ATOM 0 HB2 LEU A 30 -13.675 -23.382 3.081 1.00 25.11 H new ATOM 0 HB3 LEU A 30 -14.014 -24.921 3.846 1.00 25.11 H new ATOM 0 HG LEU A 30 -14.918 -25.749 1.654 1.00 10.53 H new ATOM 0 HD11 LEU A 30 -14.310 -24.514 -0.387 1.00 52.34 H new ATOM 0 HD12 LEU A 30 -15.448 -23.597 0.629 1.00 52.34 H new ATOM 0 HD13 LEU A 30 -13.722 -23.163 0.612 1.00 52.34 H new ATOM 0 HD21 LEU A 30 -12.688 -26.054 0.634 1.00 54.35 H new ATOM 0 HD22 LEU A 30 -12.042 -24.767 1.679 1.00 54.35 H new ATOM 0 HD23 LEU A 30 -12.643 -26.279 2.399 1.00 54.35 H new ATOM 484 N ASP A 31 -17.352 -25.264 2.327 1.00 12.30 N ATOM 485 CA ASP A 31 -18.294 -26.387 2.268 1.00 13.54 C ATOM 486 C ASP A 31 -17.601 -27.716 2.568 1.00 13.21 C ATOM 487 O ASP A 31 -18.256 -28.737 2.773 1.00 41.14 O ATOM 488 CB ASP A 31 -18.991 -26.456 0.905 1.00 4.30 C ATOM 489 CG ASP A 31 -19.979 -25.324 0.694 1.00 22.30 C ATOM 490 OD1 ASP A 31 -20.894 -25.164 1.531 1.00 31.41 O ATOM 491 OD2 ASP A 31 -19.842 -24.583 -0.302 1.00 15.03 O ATOM 0 H ASP A 31 -17.228 -24.771 1.443 1.00 12.30 H new ATOM 0 HA ASP A 31 -19.047 -26.212 3.036 1.00 13.54 H new ATOM 0 HB2 ASP A 31 -18.240 -26.429 0.116 1.00 4.30 H new ATOM 0 HB3 ASP A 31 -19.512 -27.409 0.816 1.00 4.30 H new ATOM 496 N ASN A 32 -16.273 -27.692 2.602 1.00 42.44 N ATOM 497 CA ASN A 32 -15.488 -28.866 2.969 1.00 4.52 C ATOM 498 C ASN A 32 -15.172 -28.829 4.469 1.00 64.42 C ATOM 499 O ASN A 32 -14.188 -29.409 4.930 1.00 12.13 O ATOM 500 CB ASN A 32 -14.204 -28.919 2.129 1.00 11.22 C ATOM 501 CG ASN A 32 -13.499 -30.264 2.193 1.00 43.03 C ATOM 502 OD1 ASN A 32 -13.889 -31.212 1.510 1.00 14.33 O ATOM 503 ND2 ASN A 32 -12.436 -30.351 2.980 1.00 50.13 N ATOM 0 H ASN A 32 -15.715 -26.868 2.379 1.00 42.44 H new ATOM 0 HA ASN A 32 -16.062 -29.770 2.765 1.00 4.52 H new ATOM 0 HB2 ASN A 32 -14.448 -28.693 1.091 1.00 11.22 H new ATOM 0 HB3 ASN A 32 -13.521 -28.142 2.472 1.00 11.22 H new ATOM 0 HD21 ASN A 32 -11.912 -31.224 3.034 1.00 50.13 H new ATOM 0 HD22 ASN A 32 -12.142 -29.545 3.531 1.00 50.13 H new ATOM 510 N GLU A 33 -16.020 -28.119 5.218 1.00 54.14 N ATOM 511 CA GLU A 33 -15.948 -28.080 6.680 1.00 44.15 C ATOM 512 C GLU A 33 -14.630 -27.459 7.156 1.00 44.41 C ATOM 513 O GLU A 33 -13.959 -27.987 8.039 1.00 62.33 O ATOM 514 CB GLU A 33 -16.108 -29.499 7.241 1.00 2.53 C ATOM 515 CG GLU A 33 -16.288 -29.562 8.748 1.00 5.40 C ATOM 516 CD GLU A 33 -16.248 -30.980 9.269 1.00 40.22 C ATOM 517 OE1 GLU A 33 -17.321 -31.614 9.362 1.00 22.32 O ATOM 518 OE2 GLU A 33 -15.144 -31.473 9.576 1.00 73.25 O ATOM 0 H GLU A 33 -16.775 -27.555 4.828 1.00 54.14 H new ATOM 0 HA GLU A 33 -16.759 -27.453 7.050 1.00 44.15 H new ATOM 0 HB2 GLU A 33 -16.968 -29.970 6.765 1.00 2.53 H new ATOM 0 HB3 GLU A 33 -15.231 -30.086 6.967 1.00 2.53 H new ATOM 0 HG2 GLU A 33 -15.505 -28.977 9.230 1.00 5.40 H new ATOM 0 HG3 GLU A 33 -17.240 -29.104 9.018 1.00 5.40 H new ATOM 525 N HIS A 34 -14.248 -26.339 6.569 1.00 74.34 N ATOM 526 CA HIS A 34 -13.016 -25.682 6.976 1.00 50.34 C ATOM 527 C HIS A 34 -13.249 -24.203 7.241 1.00 14.32 C ATOM 528 O HIS A 34 -13.658 -23.467 6.348 1.00 51.33 O ATOM 529 CB HIS A 34 -11.930 -25.866 5.919 1.00 23.34 C ATOM 530 CG HIS A 34 -10.634 -26.350 6.491 1.00 31.22 C ATOM 531 ND1 HIS A 34 -9.766 -27.164 5.804 1.00 5.23 N ATOM 532 CD2 HIS A 34 -10.067 -26.137 7.701 1.00 55.31 C ATOM 533 CE1 HIS A 34 -8.721 -27.430 6.562 1.00 42.54 C ATOM 534 NE2 HIS A 34 -8.878 -26.820 7.721 1.00 63.43 N1+ ATOM 0 H HIS A 34 -14.761 -25.871 5.822 1.00 74.34 H new ATOM 0 HA HIS A 34 -12.680 -26.147 7.903 1.00 50.34 H new ATOM 0 HB2 HIS A 34 -12.277 -26.576 5.169 1.00 23.34 H new ATOM 0 HB3 HIS A 34 -11.764 -24.918 5.408 1.00 23.34 H new ATOM 0 HD2 HIS A 34 -10.475 -25.540 8.503 1.00 55.31 H new ATOM 0 HE1 HIS A 34 -7.878 -28.044 6.281 1.00 42.54 H new ATOM 0 HE2 HIS A 34 -8.223 -26.851 8.503 1.00 63.43 H new ATOM 543 N GLU A 35 -12.991 -23.777 8.468 1.00 63.22 N ATOM 544 CA GLU A 35 -13.153 -22.379 8.842 1.00 40.25 C ATOM 545 C GLU A 35 -11.838 -21.638 8.638 1.00 12.24 C ATOM 546 O GLU A 35 -10.799 -22.061 9.148 1.00 45.03 O ATOM 547 CB GLU A 35 -13.583 -22.233 10.309 1.00 21.42 C ATOM 548 CG GLU A 35 -14.635 -23.230 10.774 1.00 72.31 C ATOM 549 CD GLU A 35 -14.046 -24.596 11.072 1.00 52.24 C ATOM 550 OE1 GLU A 35 -14.493 -25.588 10.465 1.00 12.00 O ATOM 551 OE2 GLU A 35 -13.110 -24.674 11.897 1.00 71.31 O ATOM 0 H GLU A 35 -12.668 -24.381 9.224 1.00 63.22 H new ATOM 0 HA GLU A 35 -13.932 -21.955 8.209 1.00 40.25 H new ATOM 0 HB2 GLU A 35 -12.702 -22.336 10.942 1.00 21.42 H new ATOM 0 HB3 GLU A 35 -13.968 -21.225 10.460 1.00 21.42 H new ATOM 0 HG2 GLU A 35 -15.125 -22.846 11.668 1.00 72.31 H new ATOM 0 HG3 GLU A 35 -15.403 -23.328 10.007 1.00 72.31 H new ATOM 558 N ILE A 36 -11.881 -20.545 7.892 1.00 13.11 N ATOM 559 CA ILE A 36 -10.694 -19.736 7.658 1.00 64.54 C ATOM 560 C ILE A 36 -10.949 -18.275 8.018 1.00 10.22 C ATOM 561 O ILE A 36 -12.096 -17.823 8.062 1.00 74.31 O ATOM 562 CB ILE A 36 -10.202 -19.832 6.192 1.00 23.52 C ATOM 563 CG1 ILE A 36 -11.327 -19.473 5.213 1.00 1.53 C ATOM 564 CG2 ILE A 36 -9.660 -21.228 5.902 1.00 74.21 C ATOM 565 CD1 ILE A 36 -10.900 -19.479 3.759 1.00 2.34 C ATOM 0 H ILE A 36 -12.725 -20.197 7.438 1.00 13.11 H new ATOM 0 HA ILE A 36 -9.912 -20.135 8.304 1.00 64.54 H new ATOM 0 HB ILE A 36 -9.394 -19.113 6.055 1.00 23.52 H new ATOM 0 HG12 ILE A 36 -12.148 -20.178 5.343 1.00 1.53 H new ATOM 0 HG13 ILE A 36 -11.713 -18.485 5.464 1.00 1.53 H new ATOM 0 HG21 ILE A 36 -9.319 -21.278 4.868 1.00 74.21 H new ATOM 0 HG22 ILE A 36 -8.826 -21.440 6.570 1.00 74.21 H new ATOM 0 HG23 ILE A 36 -10.448 -21.964 6.060 1.00 74.21 H new ATOM 0 HD11 ILE A 36 -11.750 -19.216 3.129 1.00 2.34 H new ATOM 0 HD12 ILE A 36 -10.100 -18.753 3.612 1.00 2.34 H new ATOM 0 HD13 ILE A 36 -10.542 -20.473 3.489 1.00 2.34 H new ATOM 577 N ILE A 37 -9.876 -17.545 8.278 1.00 51.22 N ATOM 578 CA ILE A 37 -9.970 -16.154 8.699 1.00 5.03 C ATOM 579 C ILE A 37 -9.964 -15.229 7.486 1.00 11.24 C ATOM 580 O ILE A 37 -9.272 -15.489 6.502 1.00 33.20 O ATOM 581 CB ILE A 37 -8.798 -15.785 9.638 1.00 72.01 C ATOM 582 CG1 ILE A 37 -8.793 -16.707 10.861 1.00 11.12 C ATOM 583 CG2 ILE A 37 -8.888 -14.324 10.063 1.00 73.54 C ATOM 584 CD1 ILE A 37 -7.610 -16.489 11.780 1.00 63.13 C ATOM 0 H ILE A 37 -8.921 -17.896 8.204 1.00 51.22 H new ATOM 0 HA ILE A 37 -10.908 -16.029 9.240 1.00 5.03 H new ATOM 0 HB ILE A 37 -7.862 -15.921 9.097 1.00 72.01 H new ATOM 0 HG12 ILE A 37 -9.713 -16.554 11.425 1.00 11.12 H new ATOM 0 HG13 ILE A 37 -8.794 -17.744 10.524 1.00 11.12 H new ATOM 0 HG21 ILE A 37 -8.054 -14.085 10.723 1.00 73.54 H new ATOM 0 HG22 ILE A 37 -8.847 -13.685 9.181 1.00 73.54 H new ATOM 0 HG23 ILE A 37 -9.827 -14.155 10.589 1.00 73.54 H new ATOM 0 HD11 ILE A 37 -7.673 -17.176 12.624 1.00 63.13 H new ATOM 0 HD12 ILE A 37 -6.685 -16.671 11.232 1.00 63.13 H new ATOM 0 HD13 ILE A 37 -7.619 -15.463 12.147 1.00 63.13 H new ATOM 596 N CYS A 38 -10.758 -14.171 7.539 1.00 15.42 N ATOM 597 CA CYS A 38 -10.786 -13.186 6.473 1.00 2.22 C ATOM 598 C CYS A 38 -10.885 -11.777 7.049 1.00 33.31 C ATOM 599 O CYS A 38 -11.485 -11.559 8.105 1.00 44.05 O ATOM 600 CB CYS A 38 -11.957 -13.457 5.522 1.00 43.33 C ATOM 601 SG CYS A 38 -11.921 -15.098 4.765 1.00 15.55 S ATOM 0 H CYS A 38 -11.393 -13.973 8.312 1.00 15.42 H new ATOM 0 HA CYS A 38 -9.857 -13.264 5.909 1.00 2.22 H new ATOM 0 HB2 CYS A 38 -12.892 -13.341 6.070 1.00 43.33 H new ATOM 0 HB3 CYS A 38 -11.954 -12.704 4.734 1.00 43.33 H new ATOM 0 HG CYS A 38 -10.794 -15.682 5.048 1.00 15.55 H new ATOM 607 N HIS A 39 -10.268 -10.831 6.363 1.00 72.21 N ATOM 608 CA HIS A 39 -10.317 -9.430 6.753 1.00 3.54 C ATOM 609 C HIS A 39 -10.460 -8.564 5.510 1.00 51.10 C ATOM 610 O HIS A 39 -10.302 -9.050 4.389 1.00 24.54 O ATOM 611 CB HIS A 39 -9.054 -9.027 7.526 1.00 11.23 C ATOM 612 CG HIS A 39 -9.209 -9.019 9.020 1.00 4.44 C ATOM 613 ND1 HIS A 39 -8.594 -9.932 9.852 1.00 14.22 N ATOM 614 CD2 HIS A 39 -9.886 -8.172 9.834 1.00 20.21 C ATOM 615 CE1 HIS A 39 -8.884 -9.645 11.110 1.00 32.03 C ATOM 616 NE2 HIS A 39 -9.668 -8.583 11.124 1.00 61.33 N1+ ATOM 0 H HIS A 39 -9.720 -11.010 5.522 1.00 72.21 H new ATOM 0 HA HIS A 39 -11.176 -9.282 7.408 1.00 3.54 H new ATOM 0 HB2 HIS A 39 -8.248 -9.712 7.261 1.00 11.23 H new ATOM 0 HB3 HIS A 39 -8.747 -8.033 7.201 1.00 11.23 H new ATOM 0 HD2 HIS A 39 -10.486 -7.329 9.524 1.00 20.21 H new ATOM 0 HE1 HIS A 39 -8.538 -10.187 11.978 1.00 32.03 H new ATOM 0 HE2 HIS A 39 -10.050 -8.140 11.959 1.00 61.33 H new ATOM 625 N VAL A 40 -10.767 -7.291 5.703 1.00 1.32 N ATOM 626 CA VAL A 40 -10.873 -6.375 4.584 1.00 21.11 C ATOM 627 C VAL A 40 -9.498 -5.822 4.218 1.00 63.21 C ATOM 628 O VAL A 40 -8.830 -5.179 5.028 1.00 61.14 O ATOM 629 CB VAL A 40 -11.861 -5.222 4.874 1.00 33.15 C ATOM 630 CG1 VAL A 40 -13.289 -5.745 4.897 1.00 64.54 C ATOM 631 CG2 VAL A 40 -11.534 -4.532 6.191 1.00 72.14 C ATOM 0 H VAL A 40 -10.945 -6.873 6.616 1.00 1.32 H new ATOM 0 HA VAL A 40 -11.267 -6.936 3.737 1.00 21.11 H new ATOM 0 HB VAL A 40 -11.763 -4.487 4.075 1.00 33.15 H new ATOM 0 HG11 VAL A 40 -13.974 -4.923 5.102 1.00 64.54 H new ATOM 0 HG12 VAL A 40 -13.531 -6.186 3.930 1.00 64.54 H new ATOM 0 HG13 VAL A 40 -13.387 -6.502 5.675 1.00 64.54 H new ATOM 0 HG21 VAL A 40 -12.247 -3.726 6.366 1.00 72.14 H new ATOM 0 HG22 VAL A 40 -11.595 -5.254 7.005 1.00 72.14 H new ATOM 0 HG23 VAL A 40 -10.525 -4.121 6.146 1.00 72.14 H new ATOM 641 N SER A 41 -9.068 -6.111 3.000 1.00 1.14 N ATOM 642 CA SER A 41 -7.774 -5.654 2.506 1.00 13.21 C ATOM 643 C SER A 41 -7.788 -5.583 0.982 1.00 33.10 C ATOM 644 O SER A 41 -7.023 -6.270 0.305 1.00 33.34 O ATOM 645 CB SER A 41 -6.654 -6.592 2.980 1.00 31.54 C ATOM 646 OG SER A 41 -6.567 -6.619 4.397 1.00 43.11 O ATOM 0 H SER A 41 -9.600 -6.665 2.328 1.00 1.14 H new ATOM 0 HA SER A 41 -7.584 -4.658 2.905 1.00 13.21 H new ATOM 0 HB2 SER A 41 -6.838 -7.599 2.606 1.00 31.54 H new ATOM 0 HB3 SER A 41 -5.702 -6.265 2.561 1.00 31.54 H new ATOM 0 HG SER A 41 -7.239 -6.015 4.778 1.00 43.11 H new ATOM 652 N GLY A 42 -8.692 -4.781 0.443 1.00 13.35 N ATOM 653 CA GLY A 42 -8.777 -4.633 -0.993 1.00 53.02 C ATOM 654 C GLY A 42 -9.611 -3.441 -1.405 1.00 34.43 C ATOM 655 O GLY A 42 -9.769 -2.486 -0.640 1.00 55.24 O ATOM 0 H GLY A 42 -9.367 -4.231 0.974 1.00 13.35 H new ATOM 0 HA2 GLY A 42 -7.773 -4.529 -1.404 1.00 53.02 H new ATOM 0 HA3 GLY A 42 -9.206 -5.538 -1.423 1.00 53.02 H new ATOM 659 N LYS A 43 -10.169 -3.527 -2.607 1.00 24.25 N ATOM 660 CA LYS A 43 -11.038 -2.495 -3.167 1.00 74.42 C ATOM 661 C LYS A 43 -12.247 -2.230 -2.264 1.00 71.10 C ATOM 662 O LYS A 43 -12.919 -1.209 -2.403 1.00 52.03 O ATOM 663 CB LYS A 43 -11.510 -2.929 -4.557 1.00 14.11 C ATOM 664 CG LYS A 43 -12.224 -1.841 -5.340 1.00 2.42 C ATOM 665 CD LYS A 43 -12.805 -2.384 -6.635 1.00 63.21 C ATOM 666 CE LYS A 43 -13.892 -3.414 -6.365 1.00 4.34 C ATOM 667 NZ LYS A 43 -14.501 -3.922 -7.620 1.00 65.43 N1+ ATOM 0 H LYS A 43 -10.030 -4.324 -3.228 1.00 24.25 H new ATOM 0 HA LYS A 43 -10.468 -1.569 -3.240 1.00 74.42 H new ATOM 0 HB2 LYS A 43 -10.648 -3.268 -5.132 1.00 14.11 H new ATOM 0 HB3 LYS A 43 -12.179 -3.783 -4.451 1.00 14.11 H new ATOM 0 HG2 LYS A 43 -13.022 -1.416 -4.731 1.00 2.42 H new ATOM 0 HG3 LYS A 43 -11.527 -1.033 -5.562 1.00 2.42 H new ATOM 0 HD2 LYS A 43 -13.216 -1.564 -7.223 1.00 63.21 H new ATOM 0 HD3 LYS A 43 -12.012 -2.837 -7.230 1.00 63.21 H new ATOM 0 HE2 LYS A 43 -13.470 -4.248 -5.803 1.00 4.34 H new ATOM 0 HE3 LYS A 43 -14.666 -2.969 -5.741 1.00 4.34 H new ATOM 0 HZ1 LYS A 43 -15.236 -4.621 -7.391 1.00 65.43 H new ATOM 0 HZ2 LYS A 43 -14.927 -3.131 -8.144 1.00 65.43 H new ATOM 0 HZ3 LYS A 43 -13.767 -4.370 -8.205 1.00 65.43 H new ATOM 681 N VAL A 44 -12.516 -3.164 -1.353 1.00 53.04 N ATOM 682 CA VAL A 44 -13.610 -3.042 -0.385 1.00 65.22 C ATOM 683 C VAL A 44 -13.578 -1.687 0.330 1.00 73.03 C ATOM 684 O VAL A 44 -14.618 -1.136 0.677 1.00 70.11 O ATOM 685 CB VAL A 44 -13.539 -4.163 0.678 1.00 0.53 C ATOM 686 CG1 VAL A 44 -14.791 -4.176 1.545 1.00 15.53 C ATOM 687 CG2 VAL A 44 -13.315 -5.519 0.023 1.00 14.43 C ATOM 0 H VAL A 44 -11.982 -4.028 -1.263 1.00 53.04 H new ATOM 0 HA VAL A 44 -14.539 -3.129 -0.949 1.00 65.22 H new ATOM 0 HB VAL A 44 -12.687 -3.957 1.326 1.00 0.53 H new ATOM 0 HG11 VAL A 44 -14.714 -4.974 2.284 1.00 15.53 H new ATOM 0 HG12 VAL A 44 -14.890 -3.218 2.055 1.00 15.53 H new ATOM 0 HG13 VAL A 44 -15.666 -4.346 0.918 1.00 15.53 H new ATOM 0 HG21 VAL A 44 -13.269 -6.291 0.791 1.00 14.43 H new ATOM 0 HG22 VAL A 44 -14.138 -5.734 -0.659 1.00 14.43 H new ATOM 0 HG23 VAL A 44 -12.378 -5.504 -0.533 1.00 14.43 H new ATOM 697 N ARG A 45 -12.379 -1.149 0.529 1.00 33.23 N ATOM 698 CA ARG A 45 -12.214 0.133 1.208 1.00 32.41 C ATOM 699 C ARG A 45 -12.703 1.273 0.309 1.00 21.21 C ATOM 700 O ARG A 45 -13.378 2.192 0.768 1.00 32.32 O ATOM 701 CB ARG A 45 -10.735 0.331 1.589 1.00 4.32 C ATOM 702 CG ARG A 45 -10.475 1.403 2.647 1.00 51.50 C ATOM 703 CD ARG A 45 -10.643 2.811 2.099 1.00 62.14 C ATOM 704 NE ARG A 45 -10.303 3.831 3.089 1.00 45.24 N ATOM 705 CZ ARG A 45 -10.837 5.052 3.119 1.00 44.05 C ATOM 706 NH1 ARG A 45 -11.761 5.405 2.229 1.00 45.32 N ATOM 707 NH2 ARG A 45 -10.444 5.916 4.047 1.00 40.52 N ATOM 0 H ARG A 45 -11.505 -1.581 0.229 1.00 33.23 H new ATOM 0 HA ARG A 45 -12.812 0.139 2.119 1.00 32.41 H new ATOM 0 HB2 ARG A 45 -10.339 -0.618 1.951 1.00 4.32 H new ATOM 0 HB3 ARG A 45 -10.176 0.587 0.689 1.00 4.32 H new ATOM 0 HG2 ARG A 45 -11.159 1.258 3.483 1.00 51.50 H new ATOM 0 HG3 ARG A 45 -9.464 1.286 3.038 1.00 51.50 H new ATOM 0 HD2 ARG A 45 -10.011 2.935 1.220 1.00 62.14 H new ATOM 0 HD3 ARG A 45 -11.674 2.952 1.773 1.00 62.14 H new ATOM 0 HE ARG A 45 -9.613 3.594 3.802 1.00 45.24 H new ATOM 0 HH11 ARG A 45 -12.065 4.740 1.518 1.00 45.32 H new ATOM 0 HH12 ARG A 45 -12.165 6.341 2.258 1.00 45.32 H new ATOM 0 HH21 ARG A 45 -9.738 5.644 4.731 1.00 40.52 H new ATOM 0 HH22 ARG A 45 -10.848 6.852 4.076 1.00 40.52 H new ATOM 721 N ARG A 46 -12.378 1.192 -0.977 1.00 71.23 N ATOM 722 CA ARG A 46 -12.719 2.248 -1.926 1.00 71.35 C ATOM 723 C ARG A 46 -14.170 2.143 -2.378 1.00 42.44 C ATOM 724 O ARG A 46 -14.887 3.141 -2.438 1.00 63.52 O ATOM 725 CB ARG A 46 -11.794 2.184 -3.142 1.00 31.22 C ATOM 726 CG ARG A 46 -10.349 2.532 -2.831 1.00 35.41 C ATOM 727 CD ARG A 46 -10.194 4.002 -2.472 1.00 62.10 C ATOM 728 NE ARG A 46 -8.824 4.324 -2.078 1.00 31.20 N ATOM 729 CZ ARG A 46 -8.062 5.233 -2.688 1.00 62.32 C ATOM 730 NH1 ARG A 46 -8.531 5.915 -3.725 1.00 1.44 N ATOM 731 NH2 ARG A 46 -6.831 5.470 -2.251 1.00 50.23 N ATOM 0 H ARG A 46 -11.877 0.404 -1.388 1.00 71.23 H new ATOM 0 HA ARG A 46 -12.588 3.204 -1.419 1.00 71.35 H new ATOM 0 HB2 ARG A 46 -11.833 1.180 -3.565 1.00 31.22 H new ATOM 0 HB3 ARG A 46 -12.166 2.866 -3.906 1.00 31.22 H new ATOM 0 HG2 ARG A 46 -9.995 1.915 -2.005 1.00 35.41 H new ATOM 0 HG3 ARG A 46 -9.724 2.299 -3.693 1.00 35.41 H new ATOM 0 HD2 ARG A 46 -10.480 4.617 -3.325 1.00 62.10 H new ATOM 0 HD3 ARG A 46 -10.874 4.251 -1.657 1.00 62.10 H new ATOM 0 HE ARG A 46 -8.425 3.821 -1.285 1.00 31.20 H new ATOM 0 HH11 ARG A 46 -9.479 5.746 -4.060 1.00 1.44 H new ATOM 0 HH12 ARG A 46 -7.943 6.609 -4.187 1.00 1.44 H new ATOM 0 HH21 ARG A 46 -6.467 4.957 -1.448 1.00 50.23 H new ATOM 0 HH22 ARG A 46 -6.249 6.165 -2.718 1.00 50.23 H new ATOM 745 N SER A 47 -14.600 0.929 -2.692 1.00 63.41 N ATOM 746 CA SER A 47 -15.953 0.704 -3.176 1.00 2.53 C ATOM 747 C SER A 47 -16.943 0.725 -2.013 1.00 72.41 C ATOM 748 O SER A 47 -18.118 1.034 -2.201 1.00 62.40 O ATOM 749 CB SER A 47 -16.030 -0.635 -3.925 1.00 22.12 C ATOM 750 OG SER A 47 -17.274 -0.791 -4.593 1.00 3.31 O ATOM 0 H SER A 47 -14.031 0.086 -2.620 1.00 63.41 H new ATOM 0 HA SER A 47 -16.217 1.505 -3.867 1.00 2.53 H new ATOM 0 HB2 SER A 47 -15.218 -0.694 -4.649 1.00 22.12 H new ATOM 0 HB3 SER A 47 -15.889 -1.455 -3.221 1.00 22.12 H new ATOM 0 HG SER A 47 -17.289 -1.652 -5.060 1.00 3.31 H new ATOM 756 N LYS A 48 -16.436 0.442 -0.813 1.00 72.00 N ATOM 757 CA LYS A 48 -17.254 0.356 0.399 1.00 74.11 C ATOM 758 C LYS A 48 -18.336 -0.711 0.261 1.00 14.13 C ATOM 759 O LYS A 48 -19.462 -0.439 -0.162 1.00 32.22 O ATOM 760 CB LYS A 48 -17.866 1.713 0.766 1.00 63.45 C ATOM 761 CG LYS A 48 -16.825 2.779 1.069 1.00 11.35 C ATOM 762 CD LYS A 48 -17.450 4.014 1.693 1.00 4.32 C ATOM 763 CE LYS A 48 -16.404 5.076 1.984 1.00 11.33 C ATOM 764 NZ LYS A 48 -16.958 6.197 2.787 1.00 53.33 N1+ ATOM 0 H LYS A 48 -15.444 0.265 -0.653 1.00 72.00 H new ATOM 0 HA LYS A 48 -16.593 0.062 1.215 1.00 74.11 H new ATOM 0 HB2 LYS A 48 -18.497 2.054 -0.055 1.00 63.45 H new ATOM 0 HB3 LYS A 48 -18.513 1.589 1.634 1.00 63.45 H new ATOM 0 HG2 LYS A 48 -16.073 2.371 1.744 1.00 11.35 H new ATOM 0 HG3 LYS A 48 -16.311 3.057 0.149 1.00 11.35 H new ATOM 0 HD2 LYS A 48 -18.206 4.420 1.021 1.00 4.32 H new ATOM 0 HD3 LYS A 48 -17.959 3.739 2.617 1.00 4.32 H new ATOM 0 HE2 LYS A 48 -15.568 4.625 2.519 1.00 11.33 H new ATOM 0 HE3 LYS A 48 -16.009 5.463 1.045 1.00 11.33 H new ATOM 0 HZ1 LYS A 48 -16.212 6.900 2.963 1.00 53.33 H new ATOM 0 HZ2 LYS A 48 -17.739 6.645 2.266 1.00 53.33 H new ATOM 0 HZ3 LYS A 48 -17.312 5.832 3.695 1.00 53.33 H new ATOM 778 N ILE A 49 -17.972 -1.935 0.610 1.00 54.41 N ATOM 779 CA ILE A 49 -18.871 -3.074 0.488 1.00 15.43 C ATOM 780 C ILE A 49 -19.411 -3.472 1.861 1.00 11.10 C ATOM 781 O ILE A 49 -18.712 -3.354 2.869 1.00 71.04 O ATOM 782 CB ILE A 49 -18.151 -4.281 -0.159 1.00 53.41 C ATOM 783 CG1 ILE A 49 -17.523 -3.876 -1.497 1.00 3.15 C ATOM 784 CG2 ILE A 49 -19.112 -5.447 -0.357 1.00 33.43 C ATOM 785 CD1 ILE A 49 -18.526 -3.410 -2.533 1.00 62.22 C ATOM 0 H ILE A 49 -17.052 -2.167 0.983 1.00 54.41 H new ATOM 0 HA ILE A 49 -19.701 -2.780 -0.154 1.00 15.43 H new ATOM 0 HB ILE A 49 -17.359 -4.603 0.516 1.00 53.41 H new ATOM 0 HG12 ILE A 49 -16.801 -3.079 -1.321 1.00 3.15 H new ATOM 0 HG13 ILE A 49 -16.969 -4.725 -1.898 1.00 3.15 H new ATOM 0 HG21 ILE A 49 -18.581 -6.283 -0.813 1.00 33.43 H new ATOM 0 HG22 ILE A 49 -19.513 -5.756 0.608 1.00 33.43 H new ATOM 0 HG23 ILE A 49 -19.930 -5.138 -1.008 1.00 33.43 H new ATOM 0 HD11 ILE A 49 -18.003 -3.142 -3.451 1.00 62.22 H new ATOM 0 HD12 ILE A 49 -19.234 -4.212 -2.740 1.00 62.22 H new ATOM 0 HD13 ILE A 49 -19.063 -2.541 -2.154 1.00 62.22 H new ATOM 797 N ARG A 50 -20.657 -3.922 1.898 1.00 12.33 N ATOM 798 CA ARG A 50 -21.286 -4.346 3.140 1.00 24.14 C ATOM 799 C ARG A 50 -21.255 -5.866 3.268 1.00 2.02 C ATOM 800 O ARG A 50 -21.888 -6.576 2.486 1.00 4.45 O ATOM 801 CB ARG A 50 -22.732 -3.844 3.198 1.00 73.20 C ATOM 802 CG ARG A 50 -23.459 -4.204 4.483 1.00 64.21 C ATOM 803 CD ARG A 50 -24.914 -3.771 4.435 1.00 52.13 C ATOM 804 NE ARG A 50 -25.635 -4.151 5.647 1.00 31.44 N ATOM 805 CZ ARG A 50 -26.959 -4.101 5.779 1.00 54.11 C ATOM 806 NH1 ARG A 50 -27.721 -3.694 4.769 1.00 73.41 N ATOM 807 NH2 ARG A 50 -27.520 -4.470 6.925 1.00 54.35 N ATOM 0 H ARG A 50 -21.256 -4.003 1.076 1.00 12.33 H new ATOM 0 HA ARG A 50 -20.727 -3.917 3.972 1.00 24.14 H new ATOM 0 HB2 ARG A 50 -22.735 -2.760 3.082 1.00 73.20 H new ATOM 0 HB3 ARG A 50 -23.283 -4.256 2.353 1.00 73.20 H new ATOM 0 HG2 ARG A 50 -23.403 -5.280 4.645 1.00 64.21 H new ATOM 0 HG3 ARG A 50 -22.964 -3.728 5.329 1.00 64.21 H new ATOM 0 HD2 ARG A 50 -24.967 -2.690 4.305 1.00 52.13 H new ATOM 0 HD3 ARG A 50 -25.398 -4.221 3.568 1.00 52.13 H new ATOM 0 HE ARG A 50 -25.088 -4.476 6.445 1.00 31.44 H new ATOM 0 HH11 ARG A 50 -27.292 -3.418 3.886 1.00 73.41 H new ATOM 0 HH12 ARG A 50 -28.735 -3.658 4.877 1.00 73.41 H new ATOM 0 HH21 ARG A 50 -26.937 -4.790 7.699 1.00 54.35 H new ATOM 0 HH22 ARG A 50 -28.534 -4.434 7.032 1.00 54.35 H new ATOM 821 N ILE A 51 -20.508 -6.360 4.247 1.00 1.40 N ATOM 822 CA ILE A 51 -20.427 -7.793 4.499 1.00 71.20 C ATOM 823 C ILE A 51 -21.487 -8.202 5.518 1.00 22.12 C ATOM 824 O ILE A 51 -21.528 -7.667 6.626 1.00 25.54 O ATOM 825 CB ILE A 51 -19.029 -8.227 5.022 1.00 35.11 C ATOM 826 CG1 ILE A 51 -17.924 -7.930 3.999 1.00 63.35 C ATOM 827 CG2 ILE A 51 -19.024 -9.710 5.368 1.00 61.23 C ATOM 828 CD1 ILE A 51 -17.497 -6.477 3.941 1.00 31.23 C ATOM 0 H ILE A 51 -19.949 -5.789 4.880 1.00 1.40 H new ATOM 0 HA ILE A 51 -20.598 -8.293 3.546 1.00 71.20 H new ATOM 0 HB ILE A 51 -18.825 -7.646 5.921 1.00 35.11 H new ATOM 0 HG12 ILE A 51 -17.054 -8.542 4.235 1.00 63.35 H new ATOM 0 HG13 ILE A 51 -18.270 -8.234 3.011 1.00 63.35 H new ATOM 0 HG21 ILE A 51 -18.037 -9.995 5.732 1.00 61.23 H new ATOM 0 HG22 ILE A 51 -19.767 -9.906 6.141 1.00 61.23 H new ATOM 0 HG23 ILE A 51 -19.265 -10.292 4.478 1.00 61.23 H new ATOM 0 HD11 ILE A 51 -16.713 -6.358 3.193 1.00 31.23 H new ATOM 0 HD12 ILE A 51 -18.352 -5.857 3.673 1.00 31.23 H new ATOM 0 HD13 ILE A 51 -17.118 -6.170 4.916 1.00 31.23 H new ATOM 840 N ILE A 52 -22.351 -9.131 5.138 1.00 63.43 N ATOM 841 CA ILE A 52 -23.404 -9.601 6.029 1.00 40.33 C ATOM 842 C ILE A 52 -23.343 -11.117 6.182 1.00 62.22 C ATOM 843 O ILE A 52 -22.936 -11.825 5.261 1.00 22.30 O ATOM 844 CB ILE A 52 -24.822 -9.195 5.546 1.00 1.23 C ATOM 845 CG1 ILE A 52 -25.177 -9.829 4.182 1.00 4.04 C ATOM 846 CG2 ILE A 52 -24.946 -7.677 5.480 1.00 10.30 C ATOM 847 CD1 ILE A 52 -24.461 -9.218 2.991 1.00 41.51 C ATOM 0 H ILE A 52 -22.345 -9.575 4.220 1.00 63.43 H new ATOM 0 HA ILE A 52 -23.227 -9.121 6.992 1.00 40.33 H new ATOM 0 HB ILE A 52 -25.536 -9.579 6.274 1.00 1.23 H new ATOM 0 HG12 ILE A 52 -24.945 -10.893 4.221 1.00 4.04 H new ATOM 0 HG13 ILE A 52 -26.252 -9.742 4.026 1.00 4.04 H new ATOM 0 HG21 ILE A 52 -25.946 -7.408 5.140 1.00 10.30 H new ATOM 0 HG22 ILE A 52 -24.774 -7.254 6.470 1.00 10.30 H new ATOM 0 HG23 ILE A 52 -24.207 -7.282 4.783 1.00 10.30 H new ATOM 0 HD11 ILE A 52 -24.773 -9.727 2.079 1.00 41.51 H new ATOM 0 HD12 ILE A 52 -24.711 -8.159 2.920 1.00 41.51 H new ATOM 0 HD13 ILE A 52 -23.384 -9.329 3.118 1.00 41.51 H new ATOM 859 N ILE A 53 -23.736 -11.609 7.350 1.00 64.11 N ATOM 860 CA ILE A 53 -23.757 -13.041 7.603 1.00 21.14 C ATOM 861 C ILE A 53 -24.981 -13.665 6.945 1.00 11.14 C ATOM 862 O ILE A 53 -26.069 -13.088 6.966 1.00 33.34 O ATOM 863 CB ILE A 53 -23.755 -13.353 9.116 1.00 30.34 C ATOM 864 CG1 ILE A 53 -22.542 -12.697 9.784 1.00 74.11 C ATOM 865 CG2 ILE A 53 -23.748 -14.859 9.359 1.00 22.33 C ATOM 866 CD1 ILE A 53 -22.473 -12.916 11.281 1.00 0.01 C ATOM 0 H ILE A 53 -24.044 -11.036 8.136 1.00 64.11 H new ATOM 0 HA ILE A 53 -22.851 -13.470 7.174 1.00 21.14 H new ATOM 0 HB ILE A 53 -24.665 -12.944 9.556 1.00 30.34 H new ATOM 0 HG12 ILE A 53 -21.633 -13.087 9.327 1.00 74.11 H new ATOM 0 HG13 ILE A 53 -22.565 -11.626 9.584 1.00 74.11 H new ATOM 0 HG21 ILE A 53 -23.747 -15.055 10.431 1.00 22.33 H new ATOM 0 HG22 ILE A 53 -24.636 -15.304 8.910 1.00 22.33 H new ATOM 0 HG23 ILE A 53 -22.856 -15.296 8.909 1.00 22.33 H new ATOM 0 HD11 ILE A 53 -21.588 -12.422 11.681 1.00 0.01 H new ATOM 0 HD12 ILE A 53 -23.364 -12.500 11.751 1.00 0.01 H new ATOM 0 HD13 ILE A 53 -22.418 -13.984 11.490 1.00 0.01 H new ATOM 878 N GLY A 54 -24.799 -14.827 6.344 1.00 72.01 N ATOM 879 CA GLY A 54 -25.892 -15.482 5.662 1.00 31.30 C ATOM 880 C GLY A 54 -25.743 -15.411 4.162 1.00 75.13 C ATOM 881 O GLY A 54 -26.417 -16.130 3.420 1.00 44.10 O ATOM 0 H GLY A 54 -23.912 -15.330 6.316 1.00 72.01 H new ATOM 0 HA2 GLY A 54 -25.941 -16.526 5.973 1.00 31.30 H new ATOM 0 HA3 GLY A 54 -26.833 -15.018 5.956 1.00 31.30 H new ATOM 885 N ASP A 55 -24.859 -14.539 3.712 1.00 5.40 N ATOM 886 CA ASP A 55 -24.591 -14.380 2.294 1.00 32.44 C ATOM 887 C ASP A 55 -23.282 -15.079 1.950 1.00 22.22 C ATOM 888 O ASP A 55 -22.444 -15.307 2.828 1.00 5.25 O ATOM 889 CB ASP A 55 -24.520 -12.889 1.941 1.00 34.55 C ATOM 890 CG ASP A 55 -24.574 -12.616 0.448 1.00 11.14 C ATOM 891 OD1 ASP A 55 -25.684 -12.657 -0.129 1.00 14.35 O ATOM 892 OD2 ASP A 55 -23.524 -12.329 -0.151 1.00 42.14 O ATOM 0 H ASP A 55 -24.310 -13.925 4.314 1.00 5.40 H new ATOM 0 HA ASP A 55 -25.396 -14.830 1.713 1.00 32.44 H new ATOM 0 HB2 ASP A 55 -25.345 -12.369 2.427 1.00 34.55 H new ATOM 0 HB3 ASP A 55 -23.598 -12.472 2.345 1.00 34.55 H new ATOM 897 N ARG A 56 -23.112 -15.436 0.687 1.00 1.53 N ATOM 898 CA ARG A 56 -21.886 -16.078 0.247 1.00 43.33 C ATOM 899 C ARG A 56 -20.769 -15.046 0.153 1.00 63.21 C ATOM 900 O ARG A 56 -21.024 -13.850 0.054 1.00 32.34 O ATOM 901 CB ARG A 56 -22.086 -16.763 -1.108 1.00 52.42 C ATOM 902 CG ARG A 56 -22.868 -18.070 -1.050 1.00 74.51 C ATOM 903 CD ARG A 56 -22.120 -19.128 -0.254 1.00 41.30 C ATOM 904 NE ARG A 56 -22.561 -20.489 -0.569 1.00 62.50 N ATOM 905 CZ ARG A 56 -21.983 -21.585 -0.073 1.00 71.41 C ATOM 906 NH1 ARG A 56 -20.999 -21.471 0.808 1.00 3.24 N ATOM 907 NH2 ARG A 56 -22.395 -22.788 -0.449 1.00 33.33 N ATOM 0 H ARG A 56 -23.805 -15.293 -0.048 1.00 1.53 H new ATOM 0 HA ARG A 56 -21.612 -16.840 0.977 1.00 43.33 H new ATOM 0 HB2 ARG A 56 -22.604 -16.074 -1.775 1.00 52.42 H new ATOM 0 HB3 ARG A 56 -21.109 -16.959 -1.549 1.00 52.42 H new ATOM 0 HG2 ARG A 56 -23.843 -17.893 -0.596 1.00 74.51 H new ATOM 0 HG3 ARG A 56 -23.048 -18.433 -2.062 1.00 74.51 H new ATOM 0 HD2 ARG A 56 -21.052 -19.041 -0.455 1.00 41.30 H new ATOM 0 HD3 ARG A 56 -22.260 -18.942 0.811 1.00 41.30 H new ATOM 0 HE ARG A 56 -23.353 -20.605 -1.202 1.00 62.50 H new ATOM 0 HH11 ARG A 56 -20.685 -20.547 1.105 1.00 3.24 H new ATOM 0 HH12 ARG A 56 -20.556 -22.307 1.189 1.00 3.24 H new ATOM 0 HH21 ARG A 56 -23.157 -22.879 -1.121 1.00 33.33 H new ATOM 0 HH22 ARG A 56 -21.950 -23.622 -0.067 1.00 33.33 H new ATOM 921 N VAL A 57 -19.532 -15.503 0.193 1.00 13.23 N ATOM 922 CA VAL A 57 -18.396 -14.602 0.134 1.00 40.51 C ATOM 923 C VAL A 57 -17.339 -15.122 -0.825 1.00 70.44 C ATOM 924 O VAL A 57 -17.252 -16.327 -1.077 1.00 22.02 O ATOM 925 CB VAL A 57 -17.752 -14.392 1.526 1.00 4.13 C ATOM 926 CG1 VAL A 57 -18.747 -13.773 2.498 1.00 12.13 C ATOM 927 CG2 VAL A 57 -17.203 -15.701 2.078 1.00 11.02 C ATOM 0 H VAL A 57 -19.288 -16.491 0.266 1.00 13.23 H new ATOM 0 HA VAL A 57 -18.777 -13.645 -0.223 1.00 40.51 H new ATOM 0 HB VAL A 57 -16.918 -13.700 1.406 1.00 4.13 H new ATOM 0 HG11 VAL A 57 -18.270 -13.636 3.469 1.00 12.13 H new ATOM 0 HG12 VAL A 57 -19.076 -12.807 2.116 1.00 12.13 H new ATOM 0 HG13 VAL A 57 -19.608 -14.433 2.607 1.00 12.13 H new ATOM 0 HG21 VAL A 57 -16.756 -15.524 3.056 1.00 11.02 H new ATOM 0 HG22 VAL A 57 -18.013 -16.424 2.174 1.00 11.02 H new ATOM 0 HG23 VAL A 57 -16.446 -16.093 1.399 1.00 11.02 H new ATOM 937 N LEU A 58 -16.556 -14.208 -1.369 1.00 44.01 N ATOM 938 CA LEU A 58 -15.420 -14.564 -2.197 1.00 62.11 C ATOM 939 C LEU A 58 -14.141 -14.294 -1.421 1.00 21.41 C ATOM 940 O LEU A 58 -13.860 -13.151 -1.062 1.00 53.21 O ATOM 941 CB LEU A 58 -15.430 -13.761 -3.501 1.00 62.01 C ATOM 942 CG LEU A 58 -14.288 -14.073 -4.473 1.00 31.30 C ATOM 943 CD1 LEU A 58 -14.374 -15.512 -4.959 1.00 14.31 C ATOM 944 CD2 LEU A 58 -14.317 -13.109 -5.650 1.00 53.43 C ATOM 0 H LEU A 58 -16.689 -13.204 -1.250 1.00 44.01 H new ATOM 0 HA LEU A 58 -15.477 -15.622 -2.454 1.00 62.11 H new ATOM 0 HB2 LEU A 58 -16.377 -13.939 -4.010 1.00 62.01 H new ATOM 0 HB3 LEU A 58 -15.395 -12.700 -3.255 1.00 62.01 H new ATOM 0 HG LEU A 58 -13.343 -13.948 -3.945 1.00 31.30 H new ATOM 0 HD11 LEU A 58 -13.554 -15.713 -5.648 1.00 14.31 H new ATOM 0 HD12 LEU A 58 -14.306 -16.188 -4.107 1.00 14.31 H new ATOM 0 HD13 LEU A 58 -15.324 -15.667 -5.470 1.00 14.31 H new ATOM 0 HD21 LEU A 58 -13.500 -13.343 -6.332 1.00 53.43 H new ATOM 0 HD22 LEU A 58 -15.267 -13.205 -6.176 1.00 53.43 H new ATOM 0 HD23 LEU A 58 -14.205 -12.088 -5.287 1.00 53.43 H new ATOM 956 N VAL A 59 -13.399 -15.349 -1.136 1.00 31.53 N ATOM 957 CA VAL A 59 -12.170 -15.234 -0.375 1.00 42.44 C ATOM 958 C VAL A 59 -10.975 -15.199 -1.314 1.00 31.13 C ATOM 959 O VAL A 59 -10.637 -16.200 -1.944 1.00 30.40 O ATOM 960 CB VAL A 59 -12.005 -16.407 0.615 1.00 75.54 C ATOM 961 CG1 VAL A 59 -10.751 -16.231 1.456 1.00 15.55 C ATOM 962 CG2 VAL A 59 -13.233 -16.543 1.502 1.00 54.10 C ATOM 0 H VAL A 59 -13.629 -16.300 -1.423 1.00 31.53 H new ATOM 0 HA VAL A 59 -12.222 -14.306 0.195 1.00 42.44 H new ATOM 0 HB VAL A 59 -11.901 -17.325 0.037 1.00 75.54 H new ATOM 0 HG11 VAL A 59 -10.655 -17.069 2.146 1.00 15.55 H new ATOM 0 HG12 VAL A 59 -9.878 -16.196 0.804 1.00 15.55 H new ATOM 0 HG13 VAL A 59 -10.819 -15.302 2.021 1.00 15.55 H new ATOM 0 HG21 VAL A 59 -13.094 -17.376 2.191 1.00 54.10 H new ATOM 0 HG22 VAL A 59 -13.376 -15.623 2.069 1.00 54.10 H new ATOM 0 HG23 VAL A 59 -14.111 -16.728 0.883 1.00 54.10 H new ATOM 972 N GLU A 60 -10.354 -14.041 -1.419 1.00 42.13 N ATOM 973 CA GLU A 60 -9.169 -13.894 -2.241 1.00 64.52 C ATOM 974 C GLU A 60 -7.930 -13.893 -1.357 1.00 11.20 C ATOM 975 O GLU A 60 -7.682 -12.929 -0.631 1.00 74.52 O ATOM 976 CB GLU A 60 -9.237 -12.588 -3.031 1.00 15.43 C ATOM 977 CG GLU A 60 -10.525 -12.401 -3.814 1.00 61.10 C ATOM 978 CD GLU A 60 -10.580 -11.057 -4.510 1.00 54.33 C ATOM 979 OE1 GLU A 60 -10.298 -11.001 -5.726 1.00 2.42 O ATOM 980 OE2 GLU A 60 -10.877 -10.048 -3.842 1.00 23.14 O ATOM 0 H GLU A 60 -10.650 -13.188 -0.945 1.00 42.13 H new ATOM 0 HA GLU A 60 -9.116 -14.729 -2.940 1.00 64.52 H new ATOM 0 HB2 GLU A 60 -9.120 -11.752 -2.341 1.00 15.43 H new ATOM 0 HB3 GLU A 60 -8.396 -12.551 -3.723 1.00 15.43 H new ATOM 0 HG2 GLU A 60 -10.617 -13.196 -4.554 1.00 61.10 H new ATOM 0 HG3 GLU A 60 -11.376 -12.494 -3.139 1.00 61.10 H new ATOM 987 N MET A 61 -7.150 -14.960 -1.405 1.00 30.11 N ATOM 988 CA MET A 61 -5.952 -15.041 -0.580 1.00 32.51 C ATOM 989 C MET A 61 -4.836 -15.781 -1.306 1.00 4.10 C ATOM 990 O MET A 61 -5.078 -16.509 -2.265 1.00 74.02 O ATOM 991 CB MET A 61 -6.250 -15.727 0.762 1.00 74.34 C ATOM 992 CG MET A 61 -6.255 -17.251 0.716 1.00 53.43 C ATOM 993 SD MET A 61 -7.585 -17.933 -0.290 1.00 33.10 S ATOM 994 CE MET A 61 -7.255 -19.683 -0.110 1.00 11.13 C ATOM 0 H MET A 61 -7.319 -15.773 -1.997 1.00 30.11 H new ATOM 0 HA MET A 61 -5.622 -14.021 -0.383 1.00 32.51 H new ATOM 0 HB2 MET A 61 -5.509 -15.402 1.492 1.00 74.34 H new ATOM 0 HB3 MET A 61 -7.221 -15.386 1.120 1.00 74.34 H new ATOM 0 HG2 MET A 61 -5.299 -17.598 0.325 1.00 53.43 H new ATOM 0 HG3 MET A 61 -6.343 -17.637 1.731 1.00 53.43 H new ATOM 0 HE1 MET A 61 -7.062 -20.120 -1.090 1.00 11.13 H new ATOM 0 HE2 MET A 61 -6.383 -19.825 0.528 1.00 11.13 H new ATOM 0 HE3 MET A 61 -8.119 -20.172 0.341 1.00 11.13 H new ATOM 1004 N SER A 62 -3.614 -15.577 -0.852 1.00 34.21 N ATOM 1005 CA SER A 62 -2.468 -16.257 -1.417 1.00 14.12 C ATOM 1006 C SER A 62 -2.087 -17.435 -0.521 1.00 32.24 C ATOM 1007 O SER A 62 -2.189 -17.348 0.702 1.00 61.44 O ATOM 1008 CB SER A 62 -1.294 -15.281 -1.562 1.00 2.34 C ATOM 1009 OG SER A 62 -0.149 -15.918 -2.098 1.00 40.12 O ATOM 0 H SER A 62 -3.390 -14.940 -0.087 1.00 34.21 H new ATOM 0 HA SER A 62 -2.719 -16.634 -2.409 1.00 14.12 H new ATOM 0 HB2 SER A 62 -1.586 -14.453 -2.208 1.00 2.34 H new ATOM 0 HB3 SER A 62 -1.052 -14.855 -0.588 1.00 2.34 H new ATOM 0 HG SER A 62 -0.196 -15.905 -3.077 1.00 40.12 H new ATOM 1015 N ILE A 63 -1.640 -18.522 -1.128 1.00 72.45 N ATOM 1016 CA ILE A 63 -1.375 -19.761 -0.401 1.00 14.22 C ATOM 1017 C ILE A 63 -0.036 -19.706 0.351 1.00 54.50 C ATOM 1018 O ILE A 63 0.198 -20.488 1.273 1.00 4.30 O ATOM 1019 CB ILE A 63 -1.376 -20.972 -1.371 1.00 23.51 C ATOM 1020 CG1 ILE A 63 -2.658 -20.987 -2.214 1.00 23.11 C ATOM 1021 CG2 ILE A 63 -1.237 -22.285 -0.610 1.00 42.42 C ATOM 1022 CD1 ILE A 63 -3.931 -21.094 -1.397 1.00 51.13 C ATOM 0 H ILE A 63 -1.451 -18.575 -2.129 1.00 72.45 H new ATOM 0 HA ILE A 63 -2.173 -19.881 0.332 1.00 14.22 H new ATOM 0 HB ILE A 63 -0.518 -20.867 -2.035 1.00 23.51 H new ATOM 0 HG12 ILE A 63 -2.698 -20.077 -2.813 1.00 23.11 H new ATOM 0 HG13 ILE A 63 -2.613 -21.825 -2.910 1.00 23.11 H new ATOM 0 HG21 ILE A 63 -1.241 -23.116 -1.315 1.00 42.42 H new ATOM 0 HG22 ILE A 63 -0.300 -22.285 -0.053 1.00 42.42 H new ATOM 0 HG23 ILE A 63 -2.071 -22.394 0.083 1.00 42.42 H new ATOM 0 HD11 ILE A 63 -4.793 -21.098 -2.065 1.00 51.13 H new ATOM 0 HD12 ILE A 63 -3.915 -22.018 -0.818 1.00 51.13 H new ATOM 0 HD13 ILE A 63 -4.001 -20.243 -0.720 1.00 51.13 H new ATOM 1034 N TYR A 64 0.823 -18.760 -0.023 1.00 3.35 N ATOM 1035 CA TYR A 64 2.200 -18.729 0.481 1.00 5.51 C ATOM 1036 C TYR A 64 2.277 -18.455 1.989 1.00 23.11 C ATOM 1037 O TYR A 64 2.380 -19.386 2.789 1.00 72.21 O ATOM 1038 CB TYR A 64 3.029 -17.700 -0.290 1.00 71.30 C ATOM 1039 CG TYR A 64 3.113 -17.983 -1.773 1.00 30.34 C ATOM 1040 CD1 TYR A 64 3.555 -19.216 -2.239 1.00 25.11 C ATOM 1041 CD2 TYR A 64 2.749 -17.022 -2.707 1.00 33.24 C ATOM 1042 CE1 TYR A 64 3.629 -19.482 -3.593 1.00 35.10 C ATOM 1043 CE2 TYR A 64 2.821 -17.281 -4.062 1.00 2.00 C ATOM 1044 CZ TYR A 64 3.261 -18.511 -4.500 1.00 55.22 C ATOM 1045 OH TYR A 64 3.328 -18.775 -5.852 1.00 75.23 O ATOM 0 H TYR A 64 0.594 -18.006 -0.671 1.00 3.35 H new ATOM 0 HA TYR A 64 2.616 -19.724 0.319 1.00 5.51 H new ATOM 0 HB2 TYR A 64 2.596 -16.711 -0.141 1.00 71.30 H new ATOM 0 HB3 TYR A 64 4.037 -17.673 0.124 1.00 71.30 H new ATOM 0 HD1 TYR A 64 3.845 -19.978 -1.531 1.00 25.11 H new ATOM 0 HD2 TYR A 64 2.404 -16.056 -2.368 1.00 33.24 H new ATOM 0 HE1 TYR A 64 3.973 -20.445 -3.939 1.00 35.10 H new ATOM 0 HE2 TYR A 64 2.534 -16.522 -4.775 1.00 2.00 H new ATOM 0 HH TYR A 64 3.033 -17.987 -6.354 1.00 75.23 H new ATOM 1055 N ASP A 65 2.241 -17.185 2.385 1.00 51.30 N ATOM 1056 CA ASP A 65 2.369 -16.839 3.805 1.00 10.42 C ATOM 1057 C ASP A 65 1.586 -15.582 4.163 1.00 22.44 C ATOM 1058 O ASP A 65 0.759 -15.602 5.075 1.00 74.11 O ATOM 1059 CB ASP A 65 3.839 -16.650 4.192 1.00 12.10 C ATOM 1060 CG ASP A 65 3.997 -16.195 5.632 1.00 22.24 C ATOM 1061 OD1 ASP A 65 3.897 -17.042 6.544 1.00 73.31 O ATOM 1062 OD2 ASP A 65 4.191 -14.981 5.862 1.00 20.42 O ATOM 0 H ASP A 65 2.127 -16.388 1.758 1.00 51.30 H new ATOM 0 HA ASP A 65 1.949 -17.673 4.367 1.00 10.42 H new ATOM 0 HB2 ASP A 65 4.375 -17.588 4.048 1.00 12.10 H new ATOM 0 HB3 ASP A 65 4.297 -15.916 3.528 1.00 12.10 H new ATOM 1067 N ARG A 66 1.870 -14.497 3.449 1.00 52.52 N ATOM 1068 CA ARG A 66 1.258 -13.192 3.715 1.00 50.41 C ATOM 1069 C ARG A 66 -0.266 -13.287 3.852 1.00 44.35 C ATOM 1070 O ARG A 66 -0.829 -12.927 4.885 1.00 24.34 O ATOM 1071 CB ARG A 66 1.640 -12.169 2.625 1.00 71.03 C ATOM 1072 CG ARG A 66 1.538 -12.689 1.192 1.00 62.31 C ATOM 1073 CD ARG A 66 2.823 -13.381 0.750 1.00 31.44 C ATOM 1074 NE ARG A 66 3.650 -12.533 -0.111 1.00 13.53 N ATOM 1075 CZ ARG A 66 4.885 -12.123 0.193 1.00 3.21 C ATOM 1076 NH1 ARG A 66 5.408 -12.368 1.385 1.00 10.23 N ATOM 1077 NH2 ARG A 66 5.600 -11.457 -0.700 1.00 54.43 N ATOM 0 H ARG A 66 2.529 -14.494 2.670 1.00 52.52 H new ATOM 0 HA ARG A 66 1.652 -12.846 4.671 1.00 50.41 H new ATOM 0 HB2 ARG A 66 0.997 -11.295 2.726 1.00 71.03 H new ATOM 0 HB3 ARG A 66 2.662 -11.835 2.803 1.00 71.03 H new ATOM 0 HG2 ARG A 66 0.704 -13.387 1.117 1.00 62.31 H new ATOM 0 HG3 ARG A 66 1.321 -11.860 0.519 1.00 62.31 H new ATOM 0 HD2 ARG A 66 3.398 -13.669 1.630 1.00 31.44 H new ATOM 0 HD3 ARG A 66 2.573 -14.299 0.218 1.00 31.44 H new ATOM 0 HE ARG A 66 3.257 -12.235 -1.004 1.00 13.53 H new ATOM 0 HH11 ARG A 66 4.867 -12.876 2.085 1.00 10.23 H new ATOM 0 HH12 ARG A 66 6.352 -12.049 1.603 1.00 10.23 H new ATOM 0 HH21 ARG A 66 5.208 -11.257 -1.620 1.00 54.43 H new ATOM 0 HH22 ARG A 66 6.543 -11.144 -0.468 1.00 54.43 H new ATOM 1091 N ASN A 67 -0.928 -13.775 2.818 1.00 62.22 N ATOM 1092 CA ASN A 67 -2.379 -13.903 2.840 1.00 53.32 C ATOM 1093 C ASN A 67 -2.794 -15.342 3.135 1.00 13.32 C ATOM 1094 O ASN A 67 -3.875 -15.766 2.751 1.00 22.20 O ATOM 1095 CB ASN A 67 -2.988 -13.450 1.504 1.00 52.02 C ATOM 1096 CG ASN A 67 -2.762 -11.975 1.196 1.00 71.32 C ATOM 1097 OD1 ASN A 67 -1.731 -11.392 1.537 1.00 33.41 O ATOM 1098 ND2 ASN A 67 -3.733 -11.358 0.540 1.00 54.32 N ATOM 0 H ASN A 67 -0.488 -14.089 1.953 1.00 62.22 H new ATOM 0 HA ASN A 67 -2.756 -13.259 3.635 1.00 53.32 H new ATOM 0 HB2 ASN A 67 -2.562 -14.049 0.699 1.00 52.02 H new ATOM 0 HB3 ASN A 67 -4.060 -13.649 1.517 1.00 52.02 H new ATOM 0 HD21 ASN A 67 -3.640 -10.370 0.302 1.00 54.32 H new ATOM 0 HD22 ASN A 67 -4.573 -11.870 0.273 1.00 54.32 H new ATOM 1105 N ALA A 68 -1.934 -16.089 3.818 1.00 63.44 N ATOM 1106 CA ALA A 68 -2.199 -17.503 4.071 1.00 42.11 C ATOM 1107 C ALA A 68 -3.162 -17.704 5.239 1.00 15.41 C ATOM 1108 O ALA A 68 -4.081 -18.517 5.157 1.00 20.24 O ATOM 1109 CB ALA A 68 -0.899 -18.251 4.324 1.00 53.32 C ATOM 0 H ALA A 68 -1.055 -15.745 4.204 1.00 63.44 H new ATOM 0 HA ALA A 68 -2.676 -17.909 3.179 1.00 42.11 H new ATOM 0 HB1 ALA A 68 -1.115 -19.303 4.511 1.00 53.32 H new ATOM 0 HB2 ALA A 68 -0.253 -18.163 3.451 1.00 53.32 H new ATOM 0 HB3 ALA A 68 -0.397 -17.824 5.192 1.00 53.32 H new ATOM 1115 N LYS A 69 -2.953 -16.961 6.322 1.00 13.34 N ATOM 1116 CA LYS A 69 -3.763 -17.136 7.527 1.00 54.40 C ATOM 1117 C LYS A 69 -5.123 -16.479 7.352 1.00 41.13 C ATOM 1118 O LYS A 69 -6.130 -16.958 7.873 1.00 23.51 O ATOM 1119 CB LYS A 69 -3.078 -16.543 8.767 1.00 24.14 C ATOM 1120 CG LYS A 69 -1.657 -17.034 9.001 1.00 42.31 C ATOM 1121 CD LYS A 69 -0.657 -16.218 8.202 1.00 54.10 C ATOM 1122 CE LYS A 69 0.759 -16.719 8.393 1.00 34.13 C ATOM 1123 NZ LYS A 69 1.746 -15.833 7.724 1.00 31.14 N1+ ATOM 0 H LYS A 69 -2.237 -16.238 6.392 1.00 13.34 H new ATOM 0 HA LYS A 69 -3.884 -18.209 7.678 1.00 54.40 H new ATOM 0 HB2 LYS A 69 -3.062 -15.457 8.673 1.00 24.14 H new ATOM 0 HB3 LYS A 69 -3.679 -16.778 9.645 1.00 24.14 H new ATOM 0 HG2 LYS A 69 -1.417 -16.970 10.062 1.00 42.31 H new ATOM 0 HG3 LYS A 69 -1.581 -18.084 8.720 1.00 42.31 H new ATOM 0 HD2 LYS A 69 -0.917 -16.259 7.144 1.00 54.10 H new ATOM 0 HD3 LYS A 69 -0.717 -15.173 8.505 1.00 54.10 H new ATOM 0 HE2 LYS A 69 0.985 -16.778 9.458 1.00 34.13 H new ATOM 0 HE3 LYS A 69 0.846 -17.729 7.993 1.00 34.13 H new ATOM 0 HZ1 LYS A 69 2.651 -16.336 7.622 1.00 31.14 H new ATOM 0 HZ2 LYS A 69 1.391 -15.565 6.784 1.00 31.14 H new ATOM 0 HZ3 LYS A 69 1.889 -14.977 8.297 1.00 31.14 H new ATOM 1137 N LYS A 70 -5.141 -15.379 6.616 1.00 11.42 N ATOM 1138 CA LYS A 70 -6.362 -14.626 6.400 1.00 70.15 C ATOM 1139 C LYS A 70 -6.503 -14.244 4.936 1.00 70.25 C ATOM 1140 O LYS A 70 -5.508 -14.058 4.235 1.00 44.33 O ATOM 1141 CB LYS A 70 -6.408 -13.381 7.309 1.00 52.51 C ATOM 1142 CG LYS A 70 -5.111 -12.574 7.388 1.00 62.02 C ATOM 1143 CD LYS A 70 -4.795 -11.836 6.095 1.00 42.24 C ATOM 1144 CE LYS A 70 -3.676 -10.822 6.280 1.00 42.31 C ATOM 1145 NZ LYS A 70 -2.404 -11.449 6.732 1.00 72.51 N1+ ATOM 0 H LYS A 70 -4.318 -14.988 6.157 1.00 11.42 H new ATOM 0 HA LYS A 70 -7.208 -15.261 6.665 1.00 70.15 H new ATOM 0 HB2 LYS A 70 -7.203 -12.724 6.956 1.00 52.51 H new ATOM 0 HB3 LYS A 70 -6.680 -13.698 8.316 1.00 52.51 H new ATOM 0 HG2 LYS A 70 -5.186 -11.854 8.203 1.00 62.02 H new ATOM 0 HG3 LYS A 70 -4.286 -13.244 7.629 1.00 62.02 H new ATOM 0 HD2 LYS A 70 -4.510 -12.555 5.327 1.00 42.24 H new ATOM 0 HD3 LYS A 70 -5.691 -11.327 5.739 1.00 42.24 H new ATOM 0 HE2 LYS A 70 -3.505 -10.300 5.339 1.00 42.31 H new ATOM 0 HE3 LYS A 70 -3.986 -10.073 7.008 1.00 42.31 H new ATOM 0 HZ1 LYS A 70 -1.700 -10.707 6.924 1.00 72.51 H new ATOM 0 HZ2 LYS A 70 -2.576 -11.996 7.600 1.00 72.51 H new ATOM 0 HZ3 LYS A 70 -2.046 -12.082 5.989 1.00 72.51 H new ATOM 1159 N GLY A 71 -7.735 -14.136 4.478 1.00 63.44 N ATOM 1160 CA GLY A 71 -7.970 -13.783 3.100 1.00 33.54 C ATOM 1161 C GLY A 71 -8.697 -12.469 2.967 1.00 71.11 C ATOM 1162 O GLY A 71 -9.097 -11.867 3.966 1.00 64.15 O ATOM 0 H GLY A 71 -8.576 -14.286 5.035 1.00 63.44 H new ATOM 0 HA2 GLY A 71 -7.017 -13.725 2.574 1.00 33.54 H new ATOM 0 HA3 GLY A 71 -8.552 -14.569 2.619 1.00 33.54 H new ATOM 1166 N ARG A 72 -8.868 -12.025 1.735 1.00 42.43 N ATOM 1167 CA ARG A 72 -9.553 -10.777 1.460 1.00 42.14 C ATOM 1168 C ARG A 72 -11.024 -11.052 1.207 1.00 51.31 C ATOM 1169 O ARG A 72 -11.386 -11.646 0.193 1.00 51.34 O ATOM 1170 CB ARG A 72 -8.937 -10.094 0.239 1.00 54.15 C ATOM 1171 CG ARG A 72 -7.475 -9.724 0.418 1.00 10.10 C ATOM 1172 CD ARG A 72 -6.789 -9.515 -0.923 1.00 64.40 C ATOM 1173 NE ARG A 72 -7.479 -8.530 -1.753 1.00 34.43 N ATOM 1174 CZ ARG A 72 -7.809 -8.735 -3.032 1.00 0.41 C ATOM 1175 NH1 ARG A 72 -7.494 -9.876 -3.628 1.00 41.22 N ATOM 1176 NH2 ARG A 72 -8.444 -7.797 -3.717 1.00 55.02 N ATOM 0 H ARG A 72 -8.539 -12.515 0.904 1.00 42.43 H new ATOM 0 HA ARG A 72 -9.449 -10.117 2.321 1.00 42.14 H new ATOM 0 HB2 ARG A 72 -9.032 -10.755 -0.622 1.00 54.15 H new ATOM 0 HB3 ARG A 72 -9.506 -9.192 0.013 1.00 54.15 H new ATOM 0 HG2 ARG A 72 -7.398 -8.814 1.014 1.00 10.10 H new ATOM 0 HG3 ARG A 72 -6.964 -10.512 0.972 1.00 10.10 H new ATOM 0 HD2 ARG A 72 -5.762 -9.190 -0.756 1.00 64.40 H new ATOM 0 HD3 ARG A 72 -6.740 -10.465 -1.455 1.00 64.40 H new ATOM 0 HE ARG A 72 -7.723 -7.634 -1.332 1.00 34.43 H new ATOM 0 HH11 ARG A 72 -6.998 -10.602 -3.111 1.00 41.22 H new ATOM 0 HH12 ARG A 72 -7.748 -10.029 -4.604 1.00 41.22 H new ATOM 0 HH21 ARG A 72 -8.684 -6.913 -3.269 1.00 55.02 H new ATOM 0 HH22 ARG A 72 -8.693 -7.959 -4.693 1.00 55.02 H new ATOM 1190 N ILE A 73 -11.862 -10.649 2.146 1.00 40.20 N ATOM 1191 CA ILE A 73 -13.291 -10.859 2.019 1.00 41.31 C ATOM 1192 C ILE A 73 -13.979 -9.589 1.530 1.00 51.53 C ATOM 1193 O ILE A 73 -13.778 -8.505 2.080 1.00 61.53 O ATOM 1194 CB ILE A 73 -13.918 -11.326 3.357 1.00 45.23 C ATOM 1195 CG1 ILE A 73 -15.428 -11.538 3.198 1.00 44.43 C ATOM 1196 CG2 ILE A 73 -13.626 -10.331 4.477 1.00 41.14 C ATOM 1197 CD1 ILE A 73 -16.108 -12.049 4.451 1.00 21.23 C ATOM 0 H ILE A 73 -11.577 -10.175 3.003 1.00 40.20 H new ATOM 0 HA ILE A 73 -13.443 -11.649 1.283 1.00 41.31 H new ATOM 0 HB ILE A 73 -13.463 -12.278 3.630 1.00 45.23 H new ATOM 0 HG12 ILE A 73 -15.889 -10.595 2.904 1.00 44.43 H new ATOM 0 HG13 ILE A 73 -15.603 -12.245 2.387 1.00 44.43 H new ATOM 0 HG21 ILE A 73 -14.078 -10.684 5.404 1.00 41.14 H new ATOM 0 HG22 ILE A 73 -12.548 -10.239 4.610 1.00 41.14 H new ATOM 0 HG23 ILE A 73 -14.043 -9.358 4.217 1.00 41.14 H new ATOM 0 HD11 ILE A 73 -17.174 -12.174 4.261 1.00 21.23 H new ATOM 0 HD12 ILE A 73 -15.675 -13.008 4.735 1.00 21.23 H new ATOM 0 HD13 ILE A 73 -15.965 -11.333 5.260 1.00 21.23 H new ATOM 1209 N ILE A 74 -14.751 -9.719 0.464 1.00 22.41 N ATOM 1210 CA ILE A 74 -15.529 -8.602 -0.039 1.00 72.54 C ATOM 1211 C ILE A 74 -17.028 -8.917 0.018 1.00 13.02 C ATOM 1212 O ILE A 74 -17.759 -8.302 0.790 1.00 14.12 O ATOM 1213 CB ILE A 74 -15.094 -8.213 -1.480 1.00 64.02 C ATOM 1214 CG1 ILE A 74 -16.075 -7.205 -2.093 1.00 61.41 C ATOM 1215 CG2 ILE A 74 -14.946 -9.444 -2.371 1.00 51.03 C ATOM 1216 CD1 ILE A 74 -15.679 -6.728 -3.478 1.00 73.05 C ATOM 0 H ILE A 74 -14.855 -10.584 -0.067 1.00 22.41 H new ATOM 0 HA ILE A 74 -15.337 -7.743 0.604 1.00 72.54 H new ATOM 0 HB ILE A 74 -14.115 -7.738 -1.413 1.00 64.02 H new ATOM 0 HG12 ILE A 74 -17.064 -7.660 -2.145 1.00 61.41 H new ATOM 0 HG13 ILE A 74 -16.156 -6.343 -1.431 1.00 61.41 H new ATOM 0 HG21 ILE A 74 -14.641 -9.135 -3.371 1.00 51.03 H new ATOM 0 HG22 ILE A 74 -14.191 -10.109 -1.951 1.00 51.03 H new ATOM 0 HG23 ILE A 74 -15.900 -9.968 -2.429 1.00 51.03 H new ATOM 0 HD11 ILE A 74 -16.421 -6.018 -3.844 1.00 73.05 H new ATOM 0 HD12 ILE A 74 -14.704 -6.242 -3.431 1.00 73.05 H new ATOM 0 HD13 ILE A 74 -15.627 -7.580 -4.155 1.00 73.05 H new ATOM 1228 N ARG A 75 -17.465 -9.889 -0.782 1.00 2.40 N ATOM 1229 CA ARG A 75 -18.852 -10.349 -0.793 1.00 74.12 C ATOM 1230 C ARG A 75 -19.017 -11.373 -1.910 1.00 75.23 C ATOM 1231 O ARG A 75 -18.069 -11.635 -2.655 1.00 74.52 O ATOM 1232 CB ARG A 75 -19.847 -9.192 -0.996 1.00 20.15 C ATOM 1233 CG ARG A 75 -21.274 -9.560 -0.610 1.00 73.14 C ATOM 1234 CD ARG A 75 -22.262 -9.277 -1.731 1.00 35.44 C ATOM 1235 NE ARG A 75 -23.480 -10.073 -1.582 1.00 1.20 N ATOM 1236 CZ ARG A 75 -24.621 -9.831 -2.221 1.00 62.24 C ATOM 1237 NH1 ARG A 75 -24.723 -8.791 -3.041 1.00 72.11 N ATOM 1238 NH2 ARG A 75 -25.660 -10.636 -2.038 1.00 15.52 N ATOM 0 H ARG A 75 -16.864 -10.381 -1.443 1.00 2.40 H new ATOM 0 HA ARG A 75 -19.072 -10.795 0.177 1.00 74.12 H new ATOM 0 HB2 ARG A 75 -19.526 -8.335 -0.404 1.00 20.15 H new ATOM 0 HB3 ARG A 75 -19.827 -8.882 -2.041 1.00 20.15 H new ATOM 0 HG2 ARG A 75 -21.317 -10.617 -0.348 1.00 73.14 H new ATOM 0 HG3 ARG A 75 -21.565 -9.000 0.279 1.00 73.14 H new ATOM 0 HD2 ARG A 75 -22.516 -8.217 -1.735 1.00 35.44 H new ATOM 0 HD3 ARG A 75 -21.797 -9.497 -2.692 1.00 35.44 H new ATOM 0 HE ARG A 75 -23.452 -10.868 -0.944 1.00 1.20 H new ATOM 0 HH11 ARG A 75 -23.924 -8.173 -3.183 1.00 72.11 H new ATOM 0 HH12 ARG A 75 -25.600 -8.610 -3.529 1.00 72.11 H new ATOM 0 HH21 ARG A 75 -25.581 -11.436 -1.410 1.00 15.52 H new ATOM 0 HH22 ARG A 75 -26.537 -10.455 -2.526 1.00 15.52 H new ATOM 1252 N ARG A 76 -20.196 -11.968 -2.009 1.00 60.54 N ATOM 1253 CA ARG A 76 -20.514 -12.850 -3.117 1.00 4.41 C ATOM 1254 C ARG A 76 -20.638 -12.043 -4.406 1.00 10.01 C ATOM 1255 O ARG A 76 -21.445 -11.118 -4.499 1.00 20.40 O ATOM 1256 CB ARG A 76 -21.827 -13.590 -2.841 1.00 75.34 C ATOM 1257 CG ARG A 76 -22.319 -14.440 -4.000 1.00 45.33 C ATOM 1258 CD ARG A 76 -21.322 -15.527 -4.369 1.00 10.15 C ATOM 1259 NE ARG A 76 -21.780 -16.316 -5.507 1.00 21.11 N ATOM 1260 CZ ARG A 76 -21.021 -17.190 -6.165 1.00 55.23 C ATOM 1261 NH1 ARG A 76 -19.774 -17.422 -5.777 1.00 64.05 N ATOM 1262 NH2 ARG A 76 -21.522 -17.844 -7.202 1.00 52.30 N ATOM 0 H ARG A 76 -20.950 -11.854 -1.331 1.00 60.54 H new ATOM 0 HA ARG A 76 -19.712 -13.579 -3.227 1.00 4.41 H new ATOM 0 HB2 ARG A 76 -21.694 -14.229 -1.968 1.00 75.34 H new ATOM 0 HB3 ARG A 76 -22.596 -12.860 -2.588 1.00 75.34 H new ATOM 0 HG2 ARG A 76 -23.273 -14.897 -3.736 1.00 45.33 H new ATOM 0 HG3 ARG A 76 -22.499 -13.803 -4.866 1.00 45.33 H new ATOM 0 HD2 ARG A 76 -20.360 -15.073 -4.605 1.00 10.15 H new ATOM 0 HD3 ARG A 76 -21.164 -16.182 -3.512 1.00 10.15 H new ATOM 0 HE ARG A 76 -22.743 -16.190 -5.819 1.00 21.11 H new ATOM 0 HH11 ARG A 76 -19.391 -16.930 -4.970 1.00 64.05 H new ATOM 0 HH12 ARG A 76 -19.198 -18.093 -6.286 1.00 64.05 H new ATOM 0 HH21 ARG A 76 -22.485 -17.677 -7.493 1.00 52.30 H new ATOM 0 HH22 ARG A 76 -20.945 -18.515 -7.709 1.00 52.30 H new ATOM 1276 N LEU A 77 -19.812 -12.384 -5.384 1.00 15.03 N ATOM 1277 CA LEU A 77 -19.869 -11.746 -6.690 1.00 62.32 C ATOM 1278 C LEU A 77 -21.090 -12.239 -7.457 1.00 3.21 C ATOM 1279 O LEU A 77 -21.830 -13.098 -6.975 1.00 54.14 O ATOM 1280 CB LEU A 77 -18.590 -12.034 -7.497 1.00 45.13 C ATOM 1281 CG LEU A 77 -18.407 -13.484 -7.976 1.00 42.30 C ATOM 1282 CD1 LEU A 77 -17.331 -13.555 -9.048 1.00 22.23 C ATOM 1283 CD2 LEU A 77 -18.042 -14.406 -6.820 1.00 13.43 C ATOM 0 H LEU A 77 -19.092 -13.101 -5.297 1.00 15.03 H new ATOM 0 HA LEU A 77 -19.947 -10.669 -6.543 1.00 62.32 H new ATOM 0 HB2 LEU A 77 -18.580 -11.380 -8.369 1.00 45.13 H new ATOM 0 HB3 LEU A 77 -17.729 -11.763 -6.885 1.00 45.13 H new ATOM 0 HG LEU A 77 -19.357 -13.817 -8.395 1.00 42.30 H new ATOM 0 HD11 LEU A 77 -17.213 -14.587 -9.377 1.00 22.23 H new ATOM 0 HD12 LEU A 77 -17.621 -12.935 -9.896 1.00 22.23 H new ATOM 0 HD13 LEU A 77 -16.387 -13.194 -8.640 1.00 22.23 H new ATOM 0 HD21 LEU A 77 -17.920 -15.424 -7.191 1.00 13.43 H new ATOM 0 HD22 LEU A 77 -17.109 -14.070 -6.367 1.00 13.43 H new ATOM 0 HD23 LEU A 77 -18.836 -14.385 -6.073 1.00 13.43 H new ATOM 1295 N LYS A 78 -21.297 -11.703 -8.648 1.00 51.40 N ATOM 1296 CA LYS A 78 -22.405 -12.135 -9.483 1.00 10.31 C ATOM 1297 C LYS A 78 -22.112 -13.524 -10.023 1.00 4.44 C ATOM 1298 O LYS A 78 -21.093 -13.741 -10.685 1.00 20.52 O ATOM 1299 CB LYS A 78 -22.656 -11.134 -10.616 1.00 1.14 C ATOM 1300 CG LYS A 78 -23.532 -9.949 -10.208 1.00 63.24 C ATOM 1301 CD LYS A 78 -22.958 -9.180 -9.022 1.00 60.10 C ATOM 1302 CE LYS A 78 -21.715 -8.387 -9.401 1.00 51.31 C ATOM 1303 NZ LYS A 78 -22.037 -7.229 -10.276 1.00 63.01 N1+ ATOM 0 H LYS A 78 -20.716 -10.972 -9.057 1.00 51.40 H new ATOM 0 HA LYS A 78 -23.315 -12.176 -8.885 1.00 10.31 H new ATOM 0 HB2 LYS A 78 -21.698 -10.759 -10.976 1.00 1.14 H new ATOM 0 HB3 LYS A 78 -23.129 -11.654 -11.450 1.00 1.14 H new ATOM 0 HG2 LYS A 78 -23.642 -9.273 -11.056 1.00 63.24 H new ATOM 0 HG3 LYS A 78 -24.530 -10.309 -9.956 1.00 63.24 H new ATOM 0 HD2 LYS A 78 -23.715 -8.501 -8.630 1.00 60.10 H new ATOM 0 HD3 LYS A 78 -22.712 -9.879 -8.222 1.00 60.10 H new ATOM 0 HE2 LYS A 78 -21.222 -8.031 -8.496 1.00 51.31 H new ATOM 0 HE3 LYS A 78 -21.009 -9.042 -9.912 1.00 51.31 H new ATOM 0 HZ1 LYS A 78 -21.203 -6.613 -10.358 1.00 63.01 H new ATOM 0 HZ2 LYS A 78 -22.309 -7.572 -11.220 1.00 63.01 H new ATOM 0 HZ3 LYS A 78 -22.825 -6.690 -9.863 1.00 63.01 H new ATOM 1317 N GLY A 79 -23.006 -14.459 -9.734 1.00 51.21 N ATOM 1318 CA GLY A 79 -22.741 -15.862 -9.996 1.00 75.22 C ATOM 1319 C GLY A 79 -22.989 -16.265 -11.434 1.00 22.33 C ATOM 1320 O GLY A 79 -23.574 -17.318 -11.689 1.00 4.12 O ATOM 0 H GLY A 79 -23.918 -14.270 -9.319 1.00 51.21 H new ATOM 0 HA2 GLY A 79 -21.705 -16.082 -9.739 1.00 75.22 H new ATOM 0 HA3 GLY A 79 -23.367 -16.470 -9.343 1.00 75.22 H new ATOM 1324 N THR A 80 -22.519 -15.439 -12.369 1.00 71.11 N ATOM 1325 CA THR A 80 -22.640 -15.704 -13.804 1.00 61.13 C ATOM 1326 C THR A 80 -24.052 -16.154 -14.188 1.00 54.44 C ATOM 1327 O THR A 80 -24.241 -17.167 -14.859 1.00 61.43 O ATOM 1328 CB THR A 80 -21.594 -16.744 -14.275 1.00 22.33 C ATOM 1329 OG1 THR A 80 -21.572 -17.881 -13.398 1.00 35.22 O ATOM 1330 CG2 THR A 80 -20.208 -16.121 -14.337 1.00 13.00 C ATOM 0 H THR A 80 -22.042 -14.564 -12.152 1.00 71.11 H new ATOM 0 HA THR A 80 -22.443 -14.761 -14.315 1.00 61.13 H new ATOM 0 HB THR A 80 -21.881 -17.075 -15.273 1.00 22.33 H new ATOM 0 HG1 THR A 80 -22.449 -17.983 -12.973 1.00 35.22 H new ATOM 0 HG21 THR A 80 -19.488 -16.868 -14.670 1.00 13.00 H new ATOM 0 HG22 THR A 80 -20.215 -15.286 -15.038 1.00 13.00 H new ATOM 0 HG23 THR A 80 -19.926 -15.761 -13.347 1.00 13.00 H new ATOM 1338 N SER A 81 -25.041 -15.382 -13.762 1.00 13.35 N ATOM 1339 CA SER A 81 -26.437 -15.699 -14.020 1.00 14.13 C ATOM 1340 C SER A 81 -26.913 -15.088 -15.339 1.00 74.25 C ATOM 1341 O SER A 81 -28.109 -15.026 -15.612 1.00 2.42 O ATOM 1342 CB SER A 81 -27.285 -15.199 -12.850 1.00 65.03 C ATOM 1343 OG SER A 81 -26.780 -13.966 -12.351 1.00 15.40 O ATOM 0 H SER A 81 -24.899 -14.523 -13.231 1.00 13.35 H new ATOM 0 HA SER A 81 -26.544 -16.780 -14.112 1.00 14.13 H new ATOM 0 HB2 SER A 81 -28.318 -15.070 -13.173 1.00 65.03 H new ATOM 0 HB3 SER A 81 -27.290 -15.944 -12.054 1.00 65.03 H new ATOM 0 HG SER A 81 -26.510 -13.396 -13.101 1.00 15.40 H new ATOM 1349 N ASP A 82 -25.966 -14.671 -16.166 1.00 75.13 N ATOM 1350 CA ASP A 82 -26.275 -14.016 -17.432 1.00 4.03 C ATOM 1351 C ASP A 82 -26.383 -15.035 -18.563 1.00 52.33 C ATOM 1352 O ASP A 82 -26.544 -14.671 -19.729 1.00 44.42 O ATOM 1353 CB ASP A 82 -25.189 -12.987 -17.764 1.00 2.41 C ATOM 1354 CG ASP A 82 -23.837 -13.628 -18.026 1.00 33.51 C ATOM 1355 OD1 ASP A 82 -23.317 -14.326 -17.131 1.00 1.44 O ATOM 1356 OD2 ASP A 82 -23.278 -13.422 -19.125 1.00 65.32 O ATOM 0 H ASP A 82 -24.968 -14.775 -15.982 1.00 75.13 H new ATOM 0 HA ASP A 82 -27.236 -13.512 -17.331 1.00 4.03 H new ATOM 0 HB2 ASP A 82 -25.492 -12.415 -18.641 1.00 2.41 H new ATOM 0 HB3 ASP A 82 -25.098 -12.281 -16.939 1.00 2.41 H new ATOM 1361 N ARG A 83 -26.305 -16.312 -18.208 1.00 71.12 N ATOM 1362 CA ARG A 83 -26.331 -17.390 -19.190 1.00 32.01 C ATOM 1363 C ARG A 83 -27.686 -17.451 -19.889 1.00 72.45 C ATOM 1364 O ARG A 83 -27.762 -17.431 -21.117 1.00 63.21 O ATOM 1365 CB ARG A 83 -26.013 -18.727 -18.514 1.00 53.13 C ATOM 1366 CG ARG A 83 -24.755 -18.678 -17.666 1.00 53.44 C ATOM 1367 CD ARG A 83 -24.527 -19.973 -16.909 1.00 44.41 C ATOM 1368 NE ARG A 83 -23.564 -19.794 -15.823 1.00 63.44 N ATOM 1369 CZ ARG A 83 -23.317 -20.702 -14.877 1.00 52.25 C ATOM 1370 NH1 ARG A 83 -23.863 -21.910 -14.947 1.00 30.32 N ATOM 1371 NH2 ARG A 83 -22.501 -20.405 -13.875 1.00 40.42 N ATOM 0 H ARG A 83 -26.223 -16.628 -17.242 1.00 71.12 H new ATOM 0 HA ARG A 83 -25.570 -17.190 -19.944 1.00 32.01 H new ATOM 0 HB2 ARG A 83 -26.855 -19.021 -17.888 1.00 53.13 H new ATOM 0 HB3 ARG A 83 -25.900 -19.496 -19.278 1.00 53.13 H new ATOM 0 HG2 ARG A 83 -23.895 -18.476 -18.305 1.00 53.44 H new ATOM 0 HG3 ARG A 83 -24.827 -17.852 -16.958 1.00 53.44 H new ATOM 0 HD2 ARG A 83 -25.473 -20.330 -16.503 1.00 44.41 H new ATOM 0 HD3 ARG A 83 -24.165 -20.739 -17.595 1.00 44.41 H new ATOM 0 HE ARG A 83 -23.046 -18.916 -15.786 1.00 63.44 H new ATOM 0 HH11 ARG A 83 -24.475 -22.149 -15.727 1.00 30.32 H new ATOM 0 HH12 ARG A 83 -23.670 -22.600 -14.221 1.00 30.32 H new ATOM 0 HH21 ARG A 83 -22.064 -19.484 -13.829 1.00 40.42 H new ATOM 0 HH22 ARG A 83 -22.310 -21.097 -13.150 1.00 40.42 H new ATOM 1385 N THR A 84 -28.756 -17.520 -19.110 1.00 32.10 N ATOM 1386 CA THR A 84 -30.100 -17.499 -19.668 1.00 15.53 C ATOM 1387 C THR A 84 -31.130 -16.997 -18.651 1.00 5.43 C ATOM 1388 O THR A 84 -31.495 -15.820 -18.690 1.00 60.42 O ATOM 1389 CB THR A 84 -30.522 -18.881 -20.241 1.00 51.03 C ATOM 1390 OG1 THR A 84 -31.946 -18.939 -20.407 1.00 45.52 O ATOM 1391 CG2 THR A 84 -30.058 -20.030 -19.353 1.00 51.33 C ATOM 0 H THR A 84 -28.720 -17.591 -18.093 1.00 32.10 H new ATOM 0 HA THR A 84 -30.075 -16.794 -20.499 1.00 15.53 H new ATOM 0 HB THR A 84 -30.038 -18.991 -21.211 1.00 51.03 H new ATOM 0 HG1 THR A 84 -32.198 -19.814 -20.770 1.00 45.52 H new ATOM 0 HG21 THR A 84 -30.373 -20.978 -19.790 1.00 51.33 H new ATOM 0 HG22 THR A 84 -28.971 -20.012 -19.272 1.00 51.33 H new ATOM 0 HG23 THR A 84 -30.497 -19.924 -18.361 1.00 51.33 H new ATOM 1399 N ILE A 85 -31.568 -17.884 -17.739 1.00 62.23 N ATOM 1400 CA ILE A 85 -32.651 -17.603 -16.778 1.00 2.32 C ATOM 1401 C ILE A 85 -33.796 -16.811 -17.420 1.00 0.30 C ATOM 1402 O ILE A 85 -34.395 -15.937 -16.787 1.00 3.30 O ATOM 1403 CB ILE A 85 -32.153 -16.888 -15.490 1.00 1.05 C ATOM 1404 CG1 ILE A 85 -31.511 -15.529 -15.792 1.00 54.40 C ATOM 1405 CG2 ILE A 85 -31.171 -17.780 -14.748 1.00 40.00 C ATOM 1406 CD1 ILE A 85 -31.108 -14.757 -14.553 1.00 15.03 C ATOM 0 H ILE A 85 -31.178 -18.822 -17.647 1.00 62.23 H new ATOM 0 HA ILE A 85 -33.033 -18.579 -16.478 1.00 2.32 H new ATOM 0 HB ILE A 85 -33.024 -16.701 -14.862 1.00 1.05 H new ATOM 0 HG12 ILE A 85 -30.630 -15.684 -16.415 1.00 54.40 H new ATOM 0 HG13 ILE A 85 -32.211 -14.928 -16.372 1.00 54.40 H new ATOM 0 HG21 ILE A 85 -30.827 -17.272 -13.847 1.00 40.00 H new ATOM 0 HG22 ILE A 85 -31.663 -18.713 -14.473 1.00 40.00 H new ATOM 0 HG23 ILE A 85 -30.318 -17.996 -15.391 1.00 40.00 H new ATOM 0 HD11 ILE A 85 -30.661 -13.807 -14.846 1.00 15.03 H new ATOM 0 HD12 ILE A 85 -31.989 -14.570 -13.938 1.00 15.03 H new ATOM 0 HD13 ILE A 85 -30.384 -15.338 -13.982 1.00 15.03 H new ATOM 1418 N SER A 86 -34.116 -17.174 -18.667 1.00 3.31 N ATOM 1419 CA SER A 86 -35.115 -16.473 -19.470 1.00 0.33 C ATOM 1420 C SER A 86 -34.661 -15.043 -19.769 1.00 3.45 C ATOM 1421 O SER A 86 -35.080 -14.090 -19.110 1.00 63.11 O ATOM 1422 CB SER A 86 -36.487 -16.478 -18.785 1.00 71.33 C ATOM 1423 OG SER A 86 -36.964 -17.805 -18.597 1.00 62.54 O ATOM 0 H SER A 86 -33.686 -17.965 -19.146 1.00 3.31 H new ATOM 0 HA SER A 86 -35.216 -17.006 -20.415 1.00 0.33 H new ATOM 0 HB2 SER A 86 -36.417 -15.974 -17.821 1.00 71.33 H new ATOM 0 HB3 SER A 86 -37.199 -15.915 -19.388 1.00 71.33 H new ATOM 0 HG SER A 86 -37.839 -17.779 -18.157 1.00 62.54 H new ATOM 1429 N LYS A 87 -33.786 -14.910 -20.756 1.00 41.55 N ATOM 1430 CA LYS A 87 -33.259 -13.610 -21.144 1.00 11.22 C ATOM 1431 C LYS A 87 -34.114 -13.013 -22.253 1.00 43.03 C ATOM 1432 O LYS A 87 -33.956 -13.437 -23.419 1.00 30.04 O ATOM 1433 CB LYS A 87 -31.804 -13.736 -21.608 1.00 41.11 C ATOM 1434 CG LYS A 87 -31.118 -12.396 -21.829 1.00 24.42 C ATOM 1435 CD LYS A 87 -29.713 -12.567 -22.386 1.00 53.52 C ATOM 1436 CE LYS A 87 -29.732 -13.112 -23.806 1.00 10.33 C ATOM 1437 NZ LYS A 87 -28.361 -13.353 -24.331 1.00 73.12 N1+ ATOM 1438 OXT LYS A 87 -34.964 -12.154 -21.954 1.00 0.00 O ATOM 0 H LYS A 87 -33.425 -15.691 -21.305 1.00 41.55 H new ATOM 0 HA LYS A 87 -33.288 -12.949 -20.278 1.00 11.22 H new ATOM 0 HB2 LYS A 87 -31.243 -14.304 -20.866 1.00 41.11 H new ATOM 0 HB3 LYS A 87 -31.775 -14.307 -22.536 1.00 41.11 H new ATOM 0 HG2 LYS A 87 -31.711 -11.793 -22.517 1.00 24.42 H new ATOM 0 HG3 LYS A 87 -31.072 -11.851 -20.886 1.00 24.42 H new ATOM 0 HD2 LYS A 87 -29.197 -11.607 -22.372 1.00 53.52 H new ATOM 0 HD3 LYS A 87 -29.147 -13.243 -21.745 1.00 53.52 H new ATOM 0 HE2 LYS A 87 -30.297 -14.044 -23.829 1.00 10.33 H new ATOM 0 HE3 LYS A 87 -30.251 -12.408 -24.457 1.00 10.33 H new ATOM 0 HZ1 LYS A 87 -28.421 -13.724 -25.301 1.00 73.12 H new ATOM 0 HZ2 LYS A 87 -27.828 -12.460 -24.334 1.00 73.12 H new ATOM 0 HZ3 LYS A 87 -27.874 -14.044 -23.726 1.00 73.12 H new TER 1452 LYS A 87