USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=18 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 41 SER OG : rot -130:sc= -0.0995 USER MOD Set 1.2: A 67 ASN : amide:sc= 0.378 K(o=0.78,f=-6!) USER MOD Set 1.3: A 70 LYS NZ :NH3+ 136:sc= 0.505 (180deg=-0.2) USER MOD Set 2.1: A 18 THR OG1 : rot -39:sc= 1.02 USER MOD Set 2.2: A 29 LYS NZ :NH3+ -175:sc= 1.21 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.03) USER MOD Single : A 7 SER OG : rot -110:sc=-0.00431 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.475 USER MOD Single : A 39 HIS : no HD1:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -30:sc= 0.39 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.317 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-9.77e-05) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= -0.0364 (180deg=-0.292) USER MOD Single : A 80 THR OG1 : rot -130:sc= 1.3 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 142:sc= -0.0936 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.902 -7.089 -0.796 1.00 44.52 N1+ ATOM 2 CA MET A 1 10.687 -6.139 0.320 1.00 20.31 C ATOM 3 C MET A 1 9.195 -5.898 0.546 1.00 31.13 C ATOM 4 O MET A 1 8.689 -6.093 1.652 1.00 54.43 O ATOM 5 CB MET A 1 11.400 -4.811 0.031 1.00 41.44 C ATOM 6 CG MET A 1 11.334 -3.813 1.177 1.00 51.02 C ATOM 7 SD MET A 1 12.196 -2.271 0.801 1.00 12.00 S ATOM 8 CE MET A 1 11.992 -1.382 2.343 1.00 21.14 C ATOM 0 H1 MET A 1 11.922 -7.239 -0.933 1.00 44.52 H new ATOM 0 H2 MET A 1 10.446 -7.996 -0.572 1.00 44.52 H new ATOM 0 H3 MET A 1 10.489 -6.700 -1.668 1.00 44.52 H new ATOM 0 HA MET A 1 11.106 -6.575 1.227 1.00 20.31 H new ATOM 0 HB2 MET A 1 12.445 -5.014 -0.201 1.00 41.44 H new ATOM 0 HB3 MET A 1 10.959 -4.359 -0.857 1.00 41.44 H new ATOM 0 HG2 MET A 1 10.291 -3.596 1.406 1.00 51.02 H new ATOM 0 HG3 MET A 1 11.770 -4.261 2.070 1.00 51.02 H new ATOM 0 HE1 MET A 1 12.473 -0.407 2.267 1.00 21.14 H new ATOM 0 HE2 MET A 1 10.930 -1.248 2.548 1.00 21.14 H new ATOM 0 HE3 MET A 1 12.449 -1.950 3.153 1.00 21.14 H new ATOM 20 N VAL A 2 8.490 -5.481 -0.505 1.00 74.14 N ATOM 21 CA VAL A 2 7.066 -5.177 -0.397 1.00 61.54 C ATOM 22 C VAL A 2 6.282 -5.820 -1.540 1.00 53.51 C ATOM 23 O VAL A 2 6.270 -5.307 -2.661 1.00 51.54 O ATOM 24 CB VAL A 2 6.804 -3.652 -0.403 1.00 72.41 C ATOM 25 CG1 VAL A 2 5.320 -3.359 -0.240 1.00 53.30 C ATOM 26 CG2 VAL A 2 7.602 -2.952 0.687 1.00 32.13 C ATOM 0 H VAL A 2 8.881 -5.347 -1.437 1.00 74.14 H new ATOM 0 HA VAL A 2 6.729 -5.588 0.555 1.00 61.54 H new ATOM 0 HB VAL A 2 7.132 -3.264 -1.367 1.00 72.41 H new ATOM 0 HG11 VAL A 2 5.159 -2.281 -0.247 1.00 53.30 H new ATOM 0 HG12 VAL A 2 4.767 -3.814 -1.062 1.00 53.30 H new ATOM 0 HG13 VAL A 2 4.969 -3.772 0.706 1.00 53.30 H new ATOM 0 HG21 VAL A 2 7.397 -1.882 0.658 1.00 32.13 H new ATOM 0 HG22 VAL A 2 7.315 -3.350 1.660 1.00 32.13 H new ATOM 0 HG23 VAL A 2 8.666 -3.122 0.525 1.00 32.13 H new ATOM 36 N LYS A 3 5.652 -6.956 -1.253 1.00 54.42 N ATOM 37 CA LYS A 3 4.828 -7.664 -2.233 1.00 51.34 C ATOM 38 C LYS A 3 3.609 -8.281 -1.553 1.00 3.04 C ATOM 39 O LYS A 3 3.756 -9.211 -0.764 1.00 72.45 O ATOM 40 CB LYS A 3 5.619 -8.797 -2.908 1.00 33.21 C ATOM 41 CG LYS A 3 6.836 -8.352 -3.700 1.00 44.15 C ATOM 42 CD LYS A 3 6.450 -7.502 -4.895 1.00 73.10 C ATOM 43 CE LYS A 3 7.670 -7.140 -5.722 1.00 72.41 C ATOM 44 NZ LYS A 3 7.369 -6.115 -6.755 1.00 42.15 N1+ ATOM 0 H LYS A 3 5.696 -7.411 -0.341 1.00 54.42 H new ATOM 0 HA LYS A 3 4.519 -6.936 -2.983 1.00 51.34 H new ATOM 0 HB2 LYS A 3 5.942 -9.500 -2.141 1.00 33.21 H new ATOM 0 HB3 LYS A 3 4.949 -9.339 -3.576 1.00 33.21 H new ATOM 0 HG2 LYS A 3 7.504 -7.785 -3.052 1.00 44.15 H new ATOM 0 HG3 LYS A 3 7.389 -9.228 -4.040 1.00 44.15 H new ATOM 0 HD2 LYS A 3 5.734 -8.042 -5.514 1.00 73.10 H new ATOM 0 HD3 LYS A 3 5.954 -6.593 -4.554 1.00 73.10 H new ATOM 0 HE2 LYS A 3 8.455 -6.769 -5.063 1.00 72.41 H new ATOM 0 HE3 LYS A 3 8.057 -8.037 -6.206 1.00 72.41 H new ATOM 0 HZ1 LYS A 3 8.233 -5.901 -7.294 1.00 42.15 H new ATOM 0 HZ2 LYS A 3 6.639 -6.477 -7.401 1.00 42.15 H new ATOM 0 HZ3 LYS A 3 7.025 -5.249 -6.294 1.00 42.15 H new ATOM 58 N ASP A 4 2.413 -7.771 -1.836 1.00 34.24 N ATOM 59 CA ASP A 4 1.203 -8.417 -1.332 1.00 65.34 C ATOM 60 C ASP A 4 0.011 -8.219 -2.259 1.00 71.32 C ATOM 61 O ASP A 4 -0.541 -9.187 -2.780 1.00 72.44 O ATOM 62 CB ASP A 4 0.833 -7.925 0.064 1.00 1.24 C ATOM 63 CG ASP A 4 -0.320 -8.725 0.634 1.00 33.35 C ATOM 64 OD1 ASP A 4 -0.105 -9.911 0.967 1.00 51.53 O ATOM 65 OD2 ASP A 4 -1.450 -8.190 0.720 1.00 21.12 O ATOM 0 H ASP A 4 2.256 -6.934 -2.397 1.00 34.24 H new ATOM 0 HA ASP A 4 1.437 -9.481 -1.286 1.00 65.34 H new ATOM 0 HB2 ASP A 4 1.697 -8.006 0.723 1.00 1.24 H new ATOM 0 HB3 ASP A 4 0.562 -6.870 0.022 1.00 1.24 H new ATOM 70 N GLU A 5 -0.381 -6.973 -2.473 1.00 35.24 N ATOM 71 CA GLU A 5 -1.593 -6.677 -3.234 1.00 64.42 C ATOM 72 C GLU A 5 -1.412 -7.046 -4.699 1.00 23.34 C ATOM 73 O GLU A 5 -2.363 -7.441 -5.371 1.00 40.22 O ATOM 74 CB GLU A 5 -1.976 -5.196 -3.124 1.00 73.11 C ATOM 75 CG GLU A 5 -1.444 -4.501 -1.881 1.00 10.12 C ATOM 76 CD GLU A 5 -0.051 -3.948 -2.089 1.00 32.10 C ATOM 77 OE1 GLU A 5 0.921 -4.731 -2.067 1.00 31.35 O ATOM 78 OE2 GLU A 5 0.075 -2.726 -2.302 1.00 15.11 O ATOM 0 H GLU A 5 0.118 -6.150 -2.134 1.00 35.24 H new ATOM 0 HA GLU A 5 -2.397 -7.276 -2.808 1.00 64.42 H new ATOM 0 HB2 GLU A 5 -1.607 -4.671 -4.005 1.00 73.11 H new ATOM 0 HB3 GLU A 5 -3.063 -5.112 -3.135 1.00 73.11 H new ATOM 0 HG2 GLU A 5 -2.118 -3.690 -1.604 1.00 10.12 H new ATOM 0 HG3 GLU A 5 -1.433 -5.205 -1.049 1.00 10.12 H new ATOM 85 N LYS A 6 -0.184 -6.930 -5.180 1.00 33.21 N ATOM 86 CA LYS A 6 0.118 -7.210 -6.577 1.00 13.35 C ATOM 87 C LYS A 6 0.551 -8.661 -6.767 1.00 61.23 C ATOM 88 O LYS A 6 1.091 -9.024 -7.812 1.00 52.44 O ATOM 89 CB LYS A 6 1.200 -6.260 -7.105 1.00 12.15 C ATOM 90 CG LYS A 6 0.759 -4.804 -7.199 1.00 72.14 C ATOM 91 CD LYS A 6 0.858 -4.083 -5.861 1.00 23.35 C ATOM 92 CE LYS A 6 0.290 -2.673 -5.944 1.00 15.44 C ATOM 93 NZ LYS A 6 0.646 -1.854 -4.754 1.00 60.30 N1+ ATOM 0 H LYS A 6 0.621 -6.644 -4.623 1.00 33.21 H new ATOM 0 HA LYS A 6 -0.795 -7.048 -7.150 1.00 13.35 H new ATOM 0 HB2 LYS A 6 2.072 -6.323 -6.454 1.00 12.15 H new ATOM 0 HB3 LYS A 6 1.514 -6.598 -8.093 1.00 12.15 H new ATOM 0 HG2 LYS A 6 1.375 -4.287 -7.934 1.00 72.14 H new ATOM 0 HG3 LYS A 6 -0.269 -4.760 -7.558 1.00 72.14 H new ATOM 0 HD2 LYS A 6 0.320 -4.649 -5.101 1.00 23.35 H new ATOM 0 HD3 LYS A 6 1.901 -4.038 -5.547 1.00 23.35 H new ATOM 0 HE2 LYS A 6 0.664 -2.185 -6.844 1.00 15.44 H new ATOM 0 HE3 LYS A 6 -0.795 -2.725 -6.036 1.00 15.44 H new ATOM 0 HZ1 LYS A 6 0.156 -0.938 -4.804 1.00 60.30 H new ATOM 0 HZ2 LYS A 6 0.357 -2.354 -3.889 1.00 60.30 H new ATOM 0 HZ3 LYS A 6 1.674 -1.696 -4.736 1.00 60.30 H new ATOM 107 N SER A 7 0.311 -9.490 -5.756 1.00 53.04 N ATOM 108 CA SER A 7 0.588 -10.915 -5.864 1.00 13.44 C ATOM 109 C SER A 7 -0.502 -11.576 -6.697 1.00 32.54 C ATOM 110 O SER A 7 -1.572 -11.914 -6.188 1.00 40.22 O ATOM 111 CB SER A 7 0.661 -11.565 -4.479 1.00 4.54 C ATOM 112 OG SER A 7 1.532 -10.847 -3.621 1.00 13.24 O ATOM 0 H SER A 7 -0.073 -9.200 -4.857 1.00 53.04 H new ATOM 0 HA SER A 7 1.554 -11.051 -6.350 1.00 13.44 H new ATOM 0 HB2 SER A 7 -0.336 -11.604 -4.040 1.00 4.54 H new ATOM 0 HB3 SER A 7 1.008 -12.594 -4.575 1.00 4.54 H new ATOM 0 HG SER A 7 2.338 -11.378 -3.455 1.00 13.24 H new ATOM 118 N LYS A 8 -0.233 -11.736 -7.983 1.00 10.13 N ATOM 119 CA LYS A 8 -1.234 -12.230 -8.914 1.00 4.32 C ATOM 120 C LYS A 8 -1.180 -13.748 -9.030 1.00 52.20 C ATOM 121 O LYS A 8 -1.938 -14.356 -9.788 1.00 50.31 O ATOM 122 CB LYS A 8 -1.054 -11.555 -10.274 1.00 33.11 C ATOM 123 CG LYS A 8 -1.279 -10.054 -10.202 1.00 64.03 C ATOM 124 CD LYS A 8 -0.978 -9.359 -11.516 1.00 44.44 C ATOM 125 CE LYS A 8 -1.278 -7.873 -11.423 1.00 44.01 C ATOM 126 NZ LYS A 8 -0.899 -7.143 -12.661 1.00 34.43 N1+ ATOM 0 H LYS A 8 0.672 -11.530 -8.406 1.00 10.13 H new ATOM 0 HA LYS A 8 -2.223 -11.977 -8.532 1.00 4.32 H new ATOM 0 HB2 LYS A 8 -0.049 -11.753 -10.646 1.00 33.11 H new ATOM 0 HB3 LYS A 8 -1.751 -11.992 -10.990 1.00 33.11 H new ATOM 0 HG2 LYS A 8 -2.313 -9.858 -9.919 1.00 64.03 H new ATOM 0 HG3 LYS A 8 -0.649 -9.632 -9.419 1.00 64.03 H new ATOM 0 HD2 LYS A 8 0.069 -9.507 -11.779 1.00 44.44 H new ATOM 0 HD3 LYS A 8 -1.573 -9.805 -12.313 1.00 44.44 H new ATOM 0 HE2 LYS A 8 -2.341 -7.731 -11.231 1.00 44.01 H new ATOM 0 HE3 LYS A 8 -0.741 -7.449 -10.575 1.00 44.01 H new ATOM 0 HZ1 LYS A 8 -1.122 -6.133 -12.551 1.00 34.43 H new ATOM 0 HZ2 LYS A 8 0.121 -7.256 -12.832 1.00 34.43 H new ATOM 0 HZ3 LYS A 8 -1.430 -7.529 -13.468 1.00 34.43 H new ATOM 140 N THR A 9 -0.284 -14.360 -8.275 1.00 14.55 N ATOM 141 CA THR A 9 -0.265 -15.803 -8.143 1.00 34.43 C ATOM 142 C THR A 9 -1.098 -16.202 -6.927 1.00 41.41 C ATOM 143 O THR A 9 -0.569 -16.446 -5.840 1.00 32.54 O ATOM 144 CB THR A 9 1.172 -16.342 -7.999 1.00 40.13 C ATOM 145 OG1 THR A 9 2.026 -15.710 -8.964 1.00 42.21 O ATOM 146 CG2 THR A 9 1.212 -17.851 -8.203 1.00 44.33 C ATOM 0 H THR A 9 0.441 -13.877 -7.744 1.00 14.55 H new ATOM 0 HA THR A 9 -0.688 -16.239 -9.048 1.00 34.43 H new ATOM 0 HB THR A 9 1.520 -16.117 -6.991 1.00 40.13 H new ATOM 0 HG1 THR A 9 2.939 -16.054 -8.868 1.00 42.21 H new ATOM 0 HG21 THR A 9 2.237 -18.206 -8.096 1.00 44.33 H new ATOM 0 HG22 THR A 9 0.581 -18.336 -7.458 1.00 44.33 H new ATOM 0 HG23 THR A 9 0.847 -18.093 -9.201 1.00 44.33 H new ATOM 154 N LEU A 10 -2.411 -16.210 -7.107 1.00 34.21 N ATOM 155 CA LEU A 10 -3.331 -16.480 -6.014 1.00 62.24 C ATOM 156 C LEU A 10 -4.596 -17.139 -6.548 1.00 72.15 C ATOM 157 O LEU A 10 -4.693 -17.413 -7.747 1.00 24.30 O ATOM 158 CB LEU A 10 -3.677 -15.181 -5.263 1.00 54.40 C ATOM 159 CG LEU A 10 -4.709 -14.252 -5.927 1.00 42.02 C ATOM 160 CD1 LEU A 10 -5.011 -13.074 -5.017 1.00 54.55 C ATOM 161 CD2 LEU A 10 -4.227 -13.751 -7.279 1.00 1.20 C ATOM 0 H LEU A 10 -2.863 -16.032 -8.004 1.00 34.21 H new ATOM 0 HA LEU A 10 -2.849 -17.161 -5.313 1.00 62.24 H new ATOM 0 HB2 LEU A 10 -4.047 -15.449 -4.273 1.00 54.40 H new ATOM 0 HB3 LEU A 10 -2.756 -14.617 -5.117 1.00 54.40 H new ATOM 0 HG LEU A 10 -5.618 -14.830 -6.090 1.00 42.02 H new ATOM 0 HD11 LEU A 10 -5.742 -12.423 -5.496 1.00 54.55 H new ATOM 0 HD12 LEU A 10 -5.413 -13.438 -4.072 1.00 54.55 H new ATOM 0 HD13 LEU A 10 -4.094 -12.515 -4.830 1.00 54.55 H new ATOM 0 HD21 LEU A 10 -4.983 -13.098 -7.716 1.00 1.20 H new ATOM 0 HD22 LEU A 10 -3.298 -13.195 -7.151 1.00 1.20 H new ATOM 0 HD23 LEU A 10 -4.054 -14.600 -7.941 1.00 1.20 H new ATOM 173 N PHE A 11 -5.556 -17.390 -5.670 1.00 74.43 N ATOM 174 CA PHE A 11 -6.798 -18.030 -6.070 1.00 62.44 C ATOM 175 C PHE A 11 -7.977 -17.438 -5.304 1.00 14.24 C ATOM 176 O PHE A 11 -7.986 -17.415 -4.073 1.00 73.33 O ATOM 177 CB PHE A 11 -6.707 -19.541 -5.824 1.00 54.23 C ATOM 178 CG PHE A 11 -7.930 -20.309 -6.240 1.00 15.21 C ATOM 179 CD1 PHE A 11 -8.166 -20.592 -7.574 1.00 33.34 C ATOM 180 CD2 PHE A 11 -8.840 -20.754 -5.293 1.00 51.35 C ATOM 181 CE1 PHE A 11 -9.287 -21.303 -7.958 1.00 25.13 C ATOM 182 CE2 PHE A 11 -9.963 -21.464 -5.671 1.00 44.20 C ATOM 183 CZ PHE A 11 -10.187 -21.740 -7.005 1.00 14.34 C ATOM 0 H PHE A 11 -5.498 -17.160 -4.678 1.00 74.43 H new ATOM 0 HA PHE A 11 -6.958 -17.852 -7.133 1.00 62.44 H new ATOM 0 HB2 PHE A 11 -5.845 -19.934 -6.363 1.00 54.23 H new ATOM 0 HB3 PHE A 11 -6.526 -19.715 -4.763 1.00 54.23 H new ATOM 0 HD1 PHE A 11 -7.466 -20.253 -8.323 1.00 33.34 H new ATOM 0 HD2 PHE A 11 -8.669 -20.543 -4.248 1.00 51.35 H new ATOM 0 HE1 PHE A 11 -9.460 -21.517 -9.002 1.00 25.13 H new ATOM 0 HE2 PHE A 11 -10.665 -21.803 -4.924 1.00 44.20 H new ATOM 0 HZ PHE A 11 -11.064 -22.296 -7.303 1.00 14.34 H new ATOM 193 N GLU A 12 -8.959 -16.948 -6.042 1.00 22.53 N ATOM 194 CA GLU A 12 -10.182 -16.431 -5.450 1.00 43.03 C ATOM 195 C GLU A 12 -11.223 -17.542 -5.402 1.00 72.52 C ATOM 196 O GLU A 12 -11.348 -18.321 -6.350 1.00 32.33 O ATOM 197 CB GLU A 12 -10.724 -15.239 -6.253 1.00 34.54 C ATOM 198 CG GLU A 12 -9.653 -14.265 -6.728 1.00 35.20 C ATOM 199 CD GLU A 12 -9.061 -14.663 -8.069 1.00 65.52 C ATOM 200 OE1 GLU A 12 -8.112 -15.472 -8.096 1.00 43.11 O ATOM 201 OE2 GLU A 12 -9.556 -14.179 -9.108 1.00 53.24 O ATOM 0 H GLU A 12 -8.932 -16.897 -7.060 1.00 22.53 H new ATOM 0 HA GLU A 12 -9.963 -16.084 -4.440 1.00 43.03 H new ATOM 0 HB2 GLU A 12 -11.266 -15.616 -7.120 1.00 34.54 H new ATOM 0 HB3 GLU A 12 -11.443 -14.698 -5.638 1.00 34.54 H new ATOM 0 HG2 GLU A 12 -10.083 -13.266 -6.806 1.00 35.20 H new ATOM 0 HG3 GLU A 12 -8.858 -14.213 -5.984 1.00 35.20 H new ATOM 208 N VAL A 13 -11.966 -17.623 -4.307 1.00 5.34 N ATOM 209 CA VAL A 13 -12.918 -18.713 -4.124 1.00 50.43 C ATOM 210 C VAL A 13 -14.221 -18.209 -3.498 1.00 52.24 C ATOM 211 O VAL A 13 -14.258 -17.127 -2.905 1.00 74.43 O ATOM 212 CB VAL A 13 -12.300 -19.843 -3.257 1.00 50.11 C ATOM 213 CG1 VAL A 13 -12.124 -19.399 -1.813 1.00 33.22 C ATOM 214 CG2 VAL A 13 -13.123 -21.123 -3.335 1.00 32.04 C ATOM 0 H VAL A 13 -11.930 -16.954 -3.538 1.00 5.34 H new ATOM 0 HA VAL A 13 -13.151 -19.120 -5.108 1.00 50.43 H new ATOM 0 HB VAL A 13 -11.313 -20.059 -3.665 1.00 50.11 H new ATOM 0 HG11 VAL A 13 -11.689 -20.213 -1.233 1.00 33.22 H new ATOM 0 HG12 VAL A 13 -11.462 -18.533 -1.777 1.00 33.22 H new ATOM 0 HG13 VAL A 13 -13.094 -19.132 -1.394 1.00 33.22 H new ATOM 0 HG21 VAL A 13 -12.660 -21.891 -2.716 1.00 32.04 H new ATOM 0 HG22 VAL A 13 -14.134 -20.928 -2.976 1.00 32.04 H new ATOM 0 HG23 VAL A 13 -13.165 -21.466 -4.369 1.00 32.04 H new ATOM 224 N GLU A 14 -15.278 -19.005 -3.630 1.00 11.42 N ATOM 225 CA GLU A 14 -16.589 -18.651 -3.108 1.00 41.24 C ATOM 226 C GLU A 14 -16.740 -19.205 -1.695 1.00 14.20 C ATOM 227 O GLU A 14 -16.497 -20.389 -1.453 1.00 53.44 O ATOM 228 CB GLU A 14 -17.692 -19.248 -3.990 1.00 43.31 C ATOM 229 CG GLU A 14 -17.512 -19.020 -5.486 1.00 43.03 C ATOM 230 CD GLU A 14 -17.767 -17.591 -5.920 1.00 42.42 C ATOM 231 OE1 GLU A 14 -18.559 -16.892 -5.257 1.00 3.23 O ATOM 232 OE2 GLU A 14 -17.203 -17.177 -6.957 1.00 13.24 O ATOM 0 H GLU A 14 -15.248 -19.910 -4.100 1.00 11.42 H new ATOM 0 HA GLU A 14 -16.679 -17.565 -3.100 1.00 41.24 H new ATOM 0 HB2 GLU A 14 -17.744 -20.321 -3.805 1.00 43.31 H new ATOM 0 HB3 GLU A 14 -18.649 -18.825 -3.685 1.00 43.31 H new ATOM 0 HG2 GLU A 14 -16.497 -19.300 -5.768 1.00 43.03 H new ATOM 0 HG3 GLU A 14 -18.187 -19.681 -6.029 1.00 43.03 H new ATOM 239 N GLY A 15 -17.132 -18.354 -0.765 1.00 33.31 N ATOM 240 CA GLY A 15 -17.324 -18.790 0.604 1.00 62.25 C ATOM 241 C GLY A 15 -18.614 -18.262 1.195 1.00 13.32 C ATOM 242 O GLY A 15 -19.332 -17.505 0.543 1.00 22.21 O ATOM 0 H GLY A 15 -17.322 -17.366 -0.931 1.00 33.31 H new ATOM 0 HA2 GLY A 15 -17.329 -19.879 0.640 1.00 62.25 H new ATOM 0 HA3 GLY A 15 -16.484 -18.455 1.212 1.00 62.25 H new ATOM 246 N ALA A 16 -18.912 -18.656 2.424 1.00 41.30 N ATOM 247 CA ALA A 16 -20.110 -18.191 3.107 1.00 22.20 C ATOM 248 C ALA A 16 -19.774 -17.763 4.525 1.00 5.03 C ATOM 249 O ALA A 16 -19.221 -18.550 5.300 1.00 61.44 O ATOM 250 CB ALA A 16 -21.171 -19.279 3.128 1.00 4.11 C ATOM 0 H ALA A 16 -18.339 -19.299 2.970 1.00 41.30 H new ATOM 0 HA ALA A 16 -20.504 -17.333 2.563 1.00 22.20 H new ATOM 0 HB1 ALA A 16 -22.059 -18.912 3.643 1.00 4.11 H new ATOM 0 HB2 ALA A 16 -21.432 -19.553 2.106 1.00 4.11 H new ATOM 0 HB3 ALA A 16 -20.785 -20.154 3.650 1.00 4.11 H new ATOM 256 N VAL A 17 -20.097 -16.521 4.861 1.00 14.23 N ATOM 257 CA VAL A 17 -19.833 -16.006 6.196 1.00 10.04 C ATOM 258 C VAL A 17 -20.757 -16.674 7.212 1.00 31.12 C ATOM 259 O VAL A 17 -21.980 -16.505 7.179 1.00 3.11 O ATOM 260 CB VAL A 17 -19.960 -14.460 6.260 1.00 11.43 C ATOM 261 CG1 VAL A 17 -21.310 -13.988 5.747 1.00 64.31 C ATOM 262 CG2 VAL A 17 -19.717 -13.957 7.677 1.00 74.34 C ATOM 0 H VAL A 17 -20.541 -15.854 4.229 1.00 14.23 H new ATOM 0 HA VAL A 17 -18.801 -16.249 6.447 1.00 10.04 H new ATOM 0 HB VAL A 17 -19.194 -14.040 5.608 1.00 11.43 H new ATOM 0 HG11 VAL A 17 -21.362 -12.901 5.807 1.00 64.31 H new ATOM 0 HG12 VAL A 17 -21.435 -14.301 4.710 1.00 64.31 H new ATOM 0 HG13 VAL A 17 -22.103 -14.423 6.355 1.00 64.31 H new ATOM 0 HG21 VAL A 17 -19.811 -12.871 7.699 1.00 74.34 H new ATOM 0 HG22 VAL A 17 -20.451 -14.398 8.351 1.00 74.34 H new ATOM 0 HG23 VAL A 17 -18.714 -14.241 7.997 1.00 74.34 H new ATOM 272 N THR A 18 -20.168 -17.471 8.087 1.00 11.44 N ATOM 273 CA THR A 18 -20.940 -18.218 9.060 1.00 52.41 C ATOM 274 C THR A 18 -20.944 -17.493 10.402 1.00 13.33 C ATOM 275 O THR A 18 -21.864 -17.650 11.201 1.00 11.51 O ATOM 276 CB THR A 18 -20.397 -19.662 9.214 1.00 12.02 C ATOM 277 OG1 THR A 18 -21.458 -20.557 9.568 1.00 33.12 O ATOM 278 CG2 THR A 18 -19.292 -19.748 10.260 1.00 43.11 C ATOM 0 H THR A 18 -19.160 -17.616 8.142 1.00 11.44 H new ATOM 0 HA THR A 18 -21.967 -18.287 8.701 1.00 52.41 H new ATOM 0 HB THR A 18 -19.975 -19.951 8.251 1.00 12.02 H new ATOM 0 HG1 THR A 18 -22.058 -20.117 10.206 1.00 33.12 H new ATOM 0 HG21 THR A 18 -18.941 -20.777 10.335 1.00 43.11 H new ATOM 0 HG22 THR A 18 -18.464 -19.103 9.968 1.00 43.11 H new ATOM 0 HG23 THR A 18 -19.680 -19.426 11.226 1.00 43.11 H new ATOM 286 N ALA A 19 -19.918 -16.678 10.628 1.00 12.52 N ATOM 287 CA ALA A 19 -19.792 -15.927 11.864 1.00 14.31 C ATOM 288 C ALA A 19 -18.724 -14.856 11.723 1.00 31.42 C ATOM 289 O ALA A 19 -17.899 -14.907 10.808 1.00 55.43 O ATOM 290 CB ALA A 19 -19.451 -16.857 13.020 1.00 21.03 C ATOM 0 H ALA A 19 -19.159 -16.523 9.964 1.00 12.52 H new ATOM 0 HA ALA A 19 -20.747 -15.446 12.074 1.00 14.31 H new ATOM 0 HB1 ALA A 19 -19.360 -16.277 13.939 1.00 21.03 H new ATOM 0 HB2 ALA A 19 -20.241 -17.599 13.136 1.00 21.03 H new ATOM 0 HB3 ALA A 19 -18.507 -17.362 12.815 1.00 21.03 H new ATOM 296 N LEU A 20 -18.742 -13.895 12.627 1.00 13.13 N ATOM 297 CA LEU A 20 -17.750 -12.835 12.636 1.00 41.21 C ATOM 298 C LEU A 20 -17.281 -12.589 14.062 1.00 40.31 C ATOM 299 O LEU A 20 -17.994 -12.898 15.019 1.00 52.40 O ATOM 300 CB LEU A 20 -18.309 -11.535 12.032 1.00 33.42 C ATOM 301 CG LEU A 20 -19.262 -10.727 12.926 1.00 51.14 C ATOM 302 CD1 LEU A 20 -19.553 -9.374 12.298 1.00 52.25 C ATOM 303 CD2 LEU A 20 -20.561 -11.480 13.175 1.00 21.24 C ATOM 0 H LEU A 20 -19.438 -13.826 13.370 1.00 13.13 H new ATOM 0 HA LEU A 20 -16.907 -13.151 12.021 1.00 41.21 H new ATOM 0 HB2 LEU A 20 -17.470 -10.895 11.760 1.00 33.42 H new ATOM 0 HB3 LEU A 20 -18.833 -11.784 11.109 1.00 33.42 H new ATOM 0 HG LEU A 20 -18.771 -10.576 13.887 1.00 51.14 H new ATOM 0 HD11 LEU A 20 -20.229 -8.812 12.942 1.00 52.25 H new ATOM 0 HD12 LEU A 20 -18.622 -8.820 12.179 1.00 52.25 H new ATOM 0 HD13 LEU A 20 -20.017 -9.518 11.322 1.00 52.25 H new ATOM 0 HD21 LEU A 20 -21.213 -10.881 13.811 1.00 21.24 H new ATOM 0 HD22 LEU A 20 -21.058 -11.672 12.224 1.00 21.24 H new ATOM 0 HD23 LEU A 20 -20.344 -12.427 13.669 1.00 21.24 H new ATOM 315 N LEU A 21 -16.081 -12.060 14.198 1.00 11.42 N ATOM 316 CA LEU A 21 -15.536 -11.729 15.502 1.00 3.13 C ATOM 317 C LEU A 21 -15.617 -10.223 15.719 1.00 32.23 C ATOM 318 O LEU A 21 -15.567 -9.453 14.758 1.00 33.30 O ATOM 319 CB LEU A 21 -14.079 -12.206 15.629 1.00 61.41 C ATOM 320 CG LEU A 21 -13.879 -13.722 15.737 1.00 63.11 C ATOM 321 CD1 LEU A 21 -14.106 -14.405 14.397 1.00 72.50 C ATOM 322 CD2 LEU A 21 -12.488 -14.040 16.270 1.00 32.14 C ATOM 0 H LEU A 21 -15.460 -11.849 13.417 1.00 11.42 H new ATOM 0 HA LEU A 21 -16.124 -12.239 16.265 1.00 3.13 H new ATOM 0 HB2 LEU A 21 -13.522 -11.846 14.764 1.00 61.41 H new ATOM 0 HB3 LEU A 21 -13.639 -11.737 16.509 1.00 61.41 H new ATOM 0 HG LEU A 21 -14.618 -14.108 16.439 1.00 63.11 H new ATOM 0 HD11 LEU A 21 -13.957 -15.479 14.506 1.00 72.50 H new ATOM 0 HD12 LEU A 21 -15.124 -14.213 14.058 1.00 72.50 H new ATOM 0 HD13 LEU A 21 -13.400 -14.013 13.665 1.00 72.50 H new ATOM 0 HD21 LEU A 21 -12.364 -15.121 16.340 1.00 32.14 H new ATOM 0 HD22 LEU A 21 -11.737 -13.631 15.594 1.00 32.14 H new ATOM 0 HD23 LEU A 21 -12.367 -13.596 17.258 1.00 32.14 H new ATOM 334 N PRO A 22 -15.736 -9.781 16.980 1.00 35.10 N ATOM 335 CA PRO A 22 -15.838 -8.355 17.319 1.00 14.45 C ATOM 336 C PRO A 22 -14.499 -7.624 17.178 1.00 65.03 C ATOM 337 O PRO A 22 -14.171 -6.740 17.970 1.00 45.53 O ATOM 338 CB PRO A 22 -16.290 -8.382 18.780 1.00 11.15 C ATOM 339 CG PRO A 22 -15.744 -9.657 19.319 1.00 43.20 C ATOM 340 CD PRO A 22 -15.785 -10.638 18.181 1.00 51.23 C ATOM 0 HA PRO A 22 -16.517 -7.819 16.656 1.00 14.45 H new ATOM 0 HB2 PRO A 22 -15.906 -7.523 19.330 1.00 11.15 H new ATOM 0 HB3 PRO A 22 -17.377 -8.351 18.859 1.00 11.15 H new ATOM 0 HG2 PRO A 22 -14.725 -9.523 19.682 1.00 43.20 H new ATOM 0 HG3 PRO A 22 -16.338 -10.011 20.161 1.00 43.20 H new ATOM 0 HD2 PRO A 22 -14.942 -11.328 18.216 1.00 51.23 H new ATOM 0 HD3 PRO A 22 -16.692 -11.242 18.205 1.00 51.23 H new ATOM 348 N ALA A 23 -13.748 -7.993 16.152 1.00 1.31 N ATOM 349 CA ALA A 23 -12.434 -7.426 15.901 1.00 33.35 C ATOM 350 C ALA A 23 -12.239 -7.195 14.407 1.00 71.13 C ATOM 351 O ALA A 23 -11.112 -7.212 13.906 1.00 42.21 O ATOM 352 CB ALA A 23 -11.356 -8.353 16.445 1.00 33.22 C ATOM 0 H ALA A 23 -14.034 -8.695 15.469 1.00 1.31 H new ATOM 0 HA ALA A 23 -12.357 -6.466 16.411 1.00 33.35 H new ATOM 0 HB1 ALA A 23 -10.374 -7.921 16.253 1.00 33.22 H new ATOM 0 HB2 ALA A 23 -11.493 -8.480 17.519 1.00 33.22 H new ATOM 0 HB3 ALA A 23 -11.428 -9.323 15.953 1.00 33.22 H new ATOM 358 N ALA A 24 -13.353 -6.969 13.709 1.00 42.24 N ATOM 359 CA ALA A 24 -13.357 -6.756 12.257 1.00 12.21 C ATOM 360 C ALA A 24 -12.872 -7.993 11.507 1.00 13.24 C ATOM 361 O ALA A 24 -12.462 -7.909 10.346 1.00 71.12 O ATOM 362 CB ALA A 24 -12.518 -5.541 11.886 1.00 51.14 C ATOM 0 H ALA A 24 -14.280 -6.928 14.133 1.00 42.24 H new ATOM 0 HA ALA A 24 -14.388 -6.569 11.956 1.00 12.21 H new ATOM 0 HB1 ALA A 24 -12.536 -5.403 10.805 1.00 51.14 H new ATOM 0 HB2 ALA A 24 -12.926 -4.655 12.372 1.00 51.14 H new ATOM 0 HB3 ALA A 24 -11.490 -5.694 12.215 1.00 51.14 H new ATOM 368 N GLU A 25 -12.934 -9.142 12.165 1.00 50.32 N ATOM 369 CA GLU A 25 -12.552 -10.393 11.537 1.00 61.21 C ATOM 370 C GLU A 25 -13.800 -11.174 11.161 1.00 42.25 C ATOM 371 O GLU A 25 -14.740 -11.280 11.951 1.00 72.31 O ATOM 372 CB GLU A 25 -11.671 -11.230 12.476 1.00 74.22 C ATOM 373 CG GLU A 25 -11.158 -12.521 11.847 1.00 62.15 C ATOM 374 CD GLU A 25 -10.229 -13.298 12.761 1.00 23.44 C ATOM 375 OE1 GLU A 25 -9.045 -12.912 12.877 1.00 42.32 O ATOM 376 OE2 GLU A 25 -10.673 -14.303 13.351 1.00 1.54 O ATOM 0 H GLU A 25 -13.245 -9.231 13.132 1.00 50.32 H new ATOM 0 HA GLU A 25 -11.976 -10.171 10.639 1.00 61.21 H new ATOM 0 HB2 GLU A 25 -10.820 -10.628 12.794 1.00 74.22 H new ATOM 0 HB3 GLU A 25 -12.241 -11.474 13.372 1.00 74.22 H new ATOM 0 HG2 GLU A 25 -12.007 -13.151 11.580 1.00 62.15 H new ATOM 0 HG3 GLU A 25 -10.633 -12.284 10.921 1.00 62.15 H new ATOM 383 N PHE A 26 -13.805 -11.714 9.960 1.00 73.24 N ATOM 384 CA PHE A 26 -14.914 -12.519 9.486 1.00 23.00 C ATOM 385 C PHE A 26 -14.407 -13.914 9.193 1.00 33.10 C ATOM 386 O PHE A 26 -13.304 -14.074 8.681 1.00 54.41 O ATOM 387 CB PHE A 26 -15.524 -11.913 8.215 1.00 63.23 C ATOM 388 CG PHE A 26 -15.992 -10.494 8.375 1.00 61.12 C ATOM 389 CD1 PHE A 26 -17.284 -10.218 8.790 1.00 63.52 C ATOM 390 CD2 PHE A 26 -15.136 -9.436 8.107 1.00 72.14 C ATOM 391 CE1 PHE A 26 -17.716 -8.914 8.937 1.00 23.32 C ATOM 392 CE2 PHE A 26 -15.562 -8.130 8.253 1.00 10.32 C ATOM 393 CZ PHE A 26 -16.853 -7.869 8.669 1.00 73.23 C ATOM 0 H PHE A 26 -13.045 -11.609 9.287 1.00 73.24 H new ATOM 0 HA PHE A 26 -15.688 -12.550 10.252 1.00 23.00 H new ATOM 0 HB2 PHE A 26 -14.784 -11.952 7.416 1.00 63.23 H new ATOM 0 HB3 PHE A 26 -16.366 -12.529 7.900 1.00 63.23 H new ATOM 0 HD1 PHE A 26 -17.962 -11.032 9.001 1.00 63.52 H new ATOM 0 HD2 PHE A 26 -14.126 -9.635 7.781 1.00 72.14 H new ATOM 0 HE1 PHE A 26 -18.726 -8.712 9.261 1.00 23.32 H new ATOM 0 HE2 PHE A 26 -14.886 -7.314 8.042 1.00 10.32 H new ATOM 0 HZ PHE A 26 -17.188 -6.849 8.785 1.00 73.23 H new ATOM 403 N ARG A 27 -15.177 -14.929 9.532 1.00 34.12 N ATOM 404 CA ARG A 27 -14.756 -16.287 9.255 1.00 51.24 C ATOM 405 C ARG A 27 -15.799 -17.022 8.437 1.00 23.03 C ATOM 406 O ARG A 27 -16.885 -17.363 8.919 1.00 71.14 O ATOM 407 CB ARG A 27 -14.423 -17.038 10.545 1.00 62.22 C ATOM 408 CG ARG A 27 -13.198 -16.474 11.246 1.00 62.31 C ATOM 409 CD ARG A 27 -12.704 -17.382 12.356 1.00 63.35 C ATOM 410 NE ARG A 27 -11.531 -16.820 13.022 1.00 4.14 N ATOM 411 CZ ARG A 27 -10.553 -17.541 13.562 1.00 35.53 C ATOM 412 NH1 ARG A 27 -10.565 -18.868 13.466 1.00 1.33 N ATOM 413 NH2 ARG A 27 -9.550 -16.923 14.172 1.00 52.32 N ATOM 0 H ARG A 27 -16.083 -14.842 9.992 1.00 34.12 H new ATOM 0 HA ARG A 27 -13.843 -16.241 8.661 1.00 51.24 H new ATOM 0 HB2 ARG A 27 -15.278 -16.991 11.220 1.00 62.22 H new ATOM 0 HB3 ARG A 27 -14.255 -18.090 10.316 1.00 62.22 H new ATOM 0 HG2 ARG A 27 -12.401 -16.326 10.518 1.00 62.31 H new ATOM 0 HG3 ARG A 27 -13.437 -15.494 11.660 1.00 62.31 H new ATOM 0 HD2 ARG A 27 -13.500 -17.534 13.085 1.00 63.35 H new ATOM 0 HD3 ARG A 27 -12.457 -18.361 11.945 1.00 63.35 H new ATOM 0 HE ARG A 27 -11.457 -15.804 13.076 1.00 4.14 H new ATOM 0 HH11 ARG A 27 -11.327 -19.337 12.976 1.00 1.33 H new ATOM 0 HH12 ARG A 27 -9.812 -19.416 13.882 1.00 1.33 H new ATOM 0 HH21 ARG A 27 -9.534 -15.904 14.223 1.00 52.32 H new ATOM 0 HH22 ARG A 27 -8.795 -17.466 14.590 1.00 52.32 H new ATOM 427 N VAL A 28 -15.463 -17.223 7.177 1.00 52.13 N ATOM 428 CA VAL A 28 -16.314 -17.949 6.264 1.00 54.42 C ATOM 429 C VAL A 28 -15.852 -19.394 6.196 1.00 44.40 C ATOM 430 O VAL A 28 -14.662 -19.678 6.360 1.00 25.15 O ATOM 431 CB VAL A 28 -16.304 -17.323 4.847 1.00 74.02 C ATOM 432 CG1 VAL A 28 -16.641 -15.842 4.916 1.00 54.43 C ATOM 433 CG2 VAL A 28 -14.967 -17.538 4.149 1.00 72.25 C ATOM 0 H VAL A 28 -14.594 -16.887 6.762 1.00 52.13 H new ATOM 0 HA VAL A 28 -17.337 -17.898 6.636 1.00 54.42 H new ATOM 0 HB VAL A 28 -17.068 -17.828 4.256 1.00 74.02 H new ATOM 0 HG11 VAL A 28 -16.629 -15.419 3.911 1.00 54.43 H new ATOM 0 HG12 VAL A 28 -17.632 -15.714 5.352 1.00 54.43 H new ATOM 0 HG13 VAL A 28 -15.904 -15.330 5.534 1.00 54.43 H new ATOM 0 HG21 VAL A 28 -14.997 -17.086 3.158 1.00 72.25 H new ATOM 0 HG22 VAL A 28 -14.172 -17.076 4.735 1.00 72.25 H new ATOM 0 HG23 VAL A 28 -14.774 -18.607 4.054 1.00 72.25 H new ATOM 443 N LYS A 29 -16.778 -20.312 5.983 1.00 11.13 N ATOM 444 CA LYS A 29 -16.404 -21.709 5.902 1.00 53.22 C ATOM 445 C LYS A 29 -16.698 -22.255 4.519 1.00 42.21 C ATOM 446 O LYS A 29 -17.705 -21.906 3.896 1.00 34.25 O ATOM 447 CB LYS A 29 -17.102 -22.559 6.979 1.00 13.55 C ATOM 448 CG LYS A 29 -18.500 -23.051 6.618 1.00 64.43 C ATOM 449 CD LYS A 29 -19.569 -22.000 6.856 1.00 5.43 C ATOM 450 CE LYS A 29 -20.953 -22.577 6.603 1.00 44.51 C ATOM 451 NZ LYS A 29 -22.041 -21.687 7.088 1.00 23.12 N1+ ATOM 0 H LYS A 29 -17.773 -20.120 5.865 1.00 11.13 H new ATOM 0 HA LYS A 29 -15.332 -21.771 6.088 1.00 53.22 H new ATOM 0 HB2 LYS A 29 -16.476 -23.424 7.198 1.00 13.55 H new ATOM 0 HB3 LYS A 29 -17.167 -21.972 7.895 1.00 13.55 H new ATOM 0 HG2 LYS A 29 -18.516 -23.350 5.570 1.00 64.43 H new ATOM 0 HG3 LYS A 29 -18.732 -23.939 7.206 1.00 64.43 H new ATOM 0 HD2 LYS A 29 -19.504 -21.633 7.880 1.00 5.43 H new ATOM 0 HD3 LYS A 29 -19.400 -21.146 6.200 1.00 5.43 H new ATOM 0 HE2 LYS A 29 -21.080 -22.751 5.535 1.00 44.51 H new ATOM 0 HE3 LYS A 29 -21.034 -23.546 7.096 1.00 44.51 H new ATOM 0 HZ1 LYS A 29 -22.958 -22.163 6.969 1.00 23.12 H new ATOM 0 HZ2 LYS A 29 -21.891 -21.472 8.094 1.00 23.12 H new ATOM 0 HZ3 LYS A 29 -22.036 -20.803 6.541 1.00 23.12 H new ATOM 465 N LEU A 30 -15.792 -23.079 4.033 1.00 30.12 N ATOM 466 CA LEU A 30 -15.990 -23.778 2.785 1.00 24.13 C ATOM 467 C LEU A 30 -16.867 -24.993 3.047 1.00 3.43 C ATOM 468 O LEU A 30 -16.774 -25.609 4.113 1.00 32.45 O ATOM 469 CB LEU A 30 -14.640 -24.201 2.195 1.00 4.10 C ATOM 470 CG LEU A 30 -14.704 -24.857 0.813 1.00 73.14 C ATOM 471 CD1 LEU A 30 -15.281 -23.896 -0.215 1.00 23.43 C ATOM 472 CD2 LEU A 30 -13.322 -25.330 0.389 1.00 15.14 C ATOM 0 H LEU A 30 -14.903 -23.281 4.491 1.00 30.12 H new ATOM 0 HA LEU A 30 -16.479 -23.124 2.063 1.00 24.13 H new ATOM 0 HB2 LEU A 30 -13.999 -23.322 2.132 1.00 4.10 H new ATOM 0 HB3 LEU A 30 -14.162 -24.895 2.886 1.00 4.10 H new ATOM 0 HG LEU A 30 -15.364 -25.723 0.873 1.00 73.14 H new ATOM 0 HD11 LEU A 30 -15.317 -24.384 -1.189 1.00 23.43 H new ATOM 0 HD12 LEU A 30 -16.289 -23.606 0.083 1.00 23.43 H new ATOM 0 HD13 LEU A 30 -14.652 -23.008 -0.277 1.00 23.43 H new ATOM 0 HD21 LEU A 30 -13.382 -25.794 -0.595 1.00 15.14 H new ATOM 0 HD22 LEU A 30 -12.643 -24.478 0.347 1.00 15.14 H new ATOM 0 HD23 LEU A 30 -12.949 -26.057 1.111 1.00 15.14 H new ATOM 484 N ASP A 31 -17.709 -25.342 2.085 1.00 64.45 N ATOM 485 CA ASP A 31 -18.638 -26.459 2.248 1.00 4.21 C ATOM 486 C ASP A 31 -17.895 -27.792 2.260 1.00 74.13 C ATOM 487 O ASP A 31 -18.474 -28.832 2.563 1.00 2.31 O ATOM 488 CB ASP A 31 -19.701 -26.446 1.146 1.00 43.11 C ATOM 489 CG ASP A 31 -19.111 -26.548 -0.245 1.00 34.10 C ATOM 490 OD1 ASP A 31 -18.544 -25.547 -0.729 1.00 23.12 O ATOM 491 OD2 ASP A 31 -19.229 -27.624 -0.868 1.00 54.23 O ATOM 0 H ASP A 31 -17.771 -24.870 1.183 1.00 64.45 H new ATOM 0 HA ASP A 31 -19.138 -26.341 3.209 1.00 4.21 H new ATOM 0 HB2 ASP A 31 -20.391 -27.275 1.304 1.00 43.11 H new ATOM 0 HB3 ASP A 31 -20.284 -25.528 1.221 1.00 43.11 H new ATOM 496 N ASN A 32 -16.604 -27.746 1.947 1.00 51.51 N ATOM 497 CA ASN A 32 -15.737 -28.920 2.053 1.00 72.03 C ATOM 498 C ASN A 32 -15.131 -28.986 3.465 1.00 64.54 C ATOM 499 O ASN A 32 -14.164 -29.705 3.720 1.00 53.42 O ATOM 500 CB ASN A 32 -14.642 -28.868 0.975 1.00 23.42 C ATOM 501 CG ASN A 32 -13.827 -30.148 0.879 1.00 3.12 C ATOM 502 OD1 ASN A 32 -14.298 -31.234 1.221 1.00 4.23 O ATOM 503 ND2 ASN A 32 -12.605 -30.030 0.380 1.00 32.53 N ATOM 0 H ASN A 32 -16.131 -26.905 1.616 1.00 51.51 H new ATOM 0 HA ASN A 32 -16.323 -29.824 1.888 1.00 72.03 H new ATOM 0 HB2 ASN A 32 -15.104 -28.667 0.008 1.00 23.42 H new ATOM 0 HB3 ASN A 32 -13.972 -28.035 1.188 1.00 23.42 H new ATOM 0 HD21 ASN A 32 -12.018 -30.857 0.267 1.00 32.53 H new ATOM 0 HD22 ASN A 32 -12.251 -29.113 0.109 1.00 32.53 H new ATOM 510 N GLU A 33 -15.719 -28.203 4.372 1.00 23.43 N ATOM 511 CA GLU A 33 -15.379 -28.223 5.798 1.00 60.11 C ATOM 512 C GLU A 33 -13.976 -27.686 6.079 1.00 23.33 C ATOM 513 O GLU A 33 -13.161 -28.338 6.729 1.00 64.11 O ATOM 514 CB GLU A 33 -15.560 -29.628 6.379 1.00 73.12 C ATOM 515 CG GLU A 33 -17.016 -30.064 6.429 1.00 21.30 C ATOM 516 CD GLU A 33 -17.196 -31.453 6.994 1.00 21.35 C ATOM 517 OE1 GLU A 33 -17.558 -32.369 6.226 1.00 73.23 O ATOM 518 OE2 GLU A 33 -16.982 -31.639 8.208 1.00 32.15 O ATOM 0 H GLU A 33 -16.450 -27.532 4.137 1.00 23.43 H new ATOM 0 HA GLU A 33 -16.073 -27.548 6.298 1.00 60.11 H new ATOM 0 HB2 GLU A 33 -14.993 -30.340 5.779 1.00 73.12 H new ATOM 0 HB3 GLU A 33 -15.143 -29.656 7.386 1.00 73.12 H new ATOM 0 HG2 GLU A 33 -17.581 -29.355 7.034 1.00 21.30 H new ATOM 0 HG3 GLU A 33 -17.435 -30.030 5.423 1.00 21.30 H new ATOM 525 N HIS A 34 -13.700 -26.495 5.566 1.00 54.00 N ATOM 526 CA HIS A 34 -12.493 -25.754 5.920 1.00 20.14 C ATOM 527 C HIS A 34 -12.868 -24.334 6.312 1.00 55.05 C ATOM 528 O HIS A 34 -13.760 -23.743 5.705 1.00 12.04 O ATOM 529 CB HIS A 34 -11.492 -25.728 4.761 1.00 71.43 C ATOM 530 CG HIS A 34 -10.738 -27.010 4.578 1.00 34.54 C ATOM 531 ND1 HIS A 34 -9.493 -27.235 5.123 1.00 31.14 N ATOM 532 CD2 HIS A 34 -11.055 -28.135 3.897 1.00 45.02 C ATOM 533 CE1 HIS A 34 -9.079 -28.439 4.785 1.00 21.13 C ATOM 534 NE2 HIS A 34 -10.009 -29.011 4.043 1.00 53.03 N1+ ATOM 0 H HIS A 34 -14.302 -26.016 4.896 1.00 54.00 H new ATOM 0 HA HIS A 34 -12.016 -26.257 6.761 1.00 20.14 H new ATOM 0 HB2 HIS A 34 -12.025 -25.497 3.839 1.00 71.43 H new ATOM 0 HB3 HIS A 34 -10.780 -24.920 4.928 1.00 71.43 H new ATOM 0 HD2 HIS A 34 -11.964 -28.311 3.341 1.00 45.02 H new ATOM 0 HE1 HIS A 34 -8.136 -28.884 5.068 1.00 21.13 H new ATOM 0 HE2 HIS A 34 -9.958 -29.949 3.644 1.00 53.03 H new ATOM 543 N GLU A 35 -12.207 -23.794 7.320 1.00 75.15 N ATOM 544 CA GLU A 35 -12.477 -22.433 7.749 1.00 12.44 C ATOM 545 C GLU A 35 -11.267 -21.541 7.506 1.00 31.21 C ATOM 546 O GLU A 35 -10.121 -21.960 7.682 1.00 74.34 O ATOM 547 CB GLU A 35 -12.932 -22.391 9.221 1.00 15.34 C ATOM 548 CG GLU A 35 -12.105 -23.230 10.191 1.00 74.35 C ATOM 549 CD GLU A 35 -10.778 -22.598 10.567 1.00 64.42 C ATOM 550 OE1 GLU A 35 -9.722 -23.222 10.303 1.00 0.11 O ATOM 551 OE2 GLU A 35 -10.781 -21.488 11.141 1.00 2.31 O ATOM 0 H GLU A 35 -11.483 -24.274 7.855 1.00 75.15 H new ATOM 0 HA GLU A 35 -13.300 -22.044 7.149 1.00 12.44 H new ATOM 0 HB2 GLU A 35 -12.914 -21.355 9.559 1.00 15.34 H new ATOM 0 HB3 GLU A 35 -13.968 -22.725 9.272 1.00 15.34 H new ATOM 0 HG2 GLU A 35 -12.686 -23.399 11.097 1.00 74.35 H new ATOM 0 HG3 GLU A 35 -11.918 -24.207 9.745 1.00 74.35 H new ATOM 558 N ILE A 36 -11.529 -20.326 7.051 1.00 63.30 N ATOM 559 CA ILE A 36 -10.470 -19.370 6.778 1.00 42.23 C ATOM 560 C ILE A 36 -10.801 -18.018 7.392 1.00 22.43 C ATOM 561 O ILE A 36 -11.970 -17.687 7.609 1.00 21.13 O ATOM 562 CB ILE A 36 -10.223 -19.190 5.261 1.00 42.52 C ATOM 563 CG1 ILE A 36 -11.524 -18.811 4.543 1.00 4.21 C ATOM 564 CG2 ILE A 36 -9.623 -20.456 4.661 1.00 24.54 C ATOM 565 CD1 ILE A 36 -11.337 -18.493 3.074 1.00 70.13 C ATOM 0 H ILE A 36 -12.469 -19.979 6.863 1.00 63.30 H new ATOM 0 HA ILE A 36 -9.561 -19.771 7.227 1.00 42.23 H new ATOM 0 HB ILE A 36 -9.510 -18.377 5.123 1.00 42.52 H new ATOM 0 HG12 ILE A 36 -12.235 -19.631 4.641 1.00 4.21 H new ATOM 0 HG13 ILE A 36 -11.965 -17.947 5.040 1.00 4.21 H new ATOM 0 HG21 ILE A 36 -9.457 -20.309 3.594 1.00 24.54 H new ATOM 0 HG22 ILE A 36 -8.674 -20.676 5.149 1.00 24.54 H new ATOM 0 HG23 ILE A 36 -10.309 -21.290 4.810 1.00 24.54 H new ATOM 0 HD11 ILE A 36 -12.299 -18.234 2.632 1.00 70.13 H new ATOM 0 HD12 ILE A 36 -10.651 -17.653 2.968 1.00 70.13 H new ATOM 0 HD13 ILE A 36 -10.926 -19.363 2.563 1.00 70.13 H new ATOM 577 N ILE A 37 -9.768 -17.246 7.672 1.00 74.11 N ATOM 578 CA ILE A 37 -9.935 -15.928 8.255 1.00 65.44 C ATOM 579 C ILE A 37 -10.092 -14.895 7.146 1.00 70.30 C ATOM 580 O ILE A 37 -9.373 -14.927 6.152 1.00 2.03 O ATOM 581 CB ILE A 37 -8.735 -15.543 9.169 1.00 33.41 C ATOM 582 CG1 ILE A 37 -8.746 -16.354 10.475 1.00 23.01 C ATOM 583 CG2 ILE A 37 -8.736 -14.051 9.483 1.00 4.52 C ATOM 584 CD1 ILE A 37 -8.380 -17.817 10.312 1.00 34.50 C ATOM 0 H ILE A 37 -8.798 -17.511 7.504 1.00 74.11 H new ATOM 0 HA ILE A 37 -10.831 -15.947 8.876 1.00 65.44 H new ATOM 0 HB ILE A 37 -7.824 -15.781 8.621 1.00 33.41 H new ATOM 0 HG12 ILE A 37 -8.051 -15.895 11.178 1.00 23.01 H new ATOM 0 HG13 ILE A 37 -9.739 -16.289 10.920 1.00 23.01 H new ATOM 0 HG21 ILE A 37 -7.886 -13.813 10.123 1.00 4.52 H new ATOM 0 HG22 ILE A 37 -8.661 -13.484 8.555 1.00 4.52 H new ATOM 0 HG23 ILE A 37 -9.661 -13.788 9.996 1.00 4.52 H new ATOM 0 HD11 ILE A 37 -8.414 -18.311 11.283 1.00 34.50 H new ATOM 0 HD12 ILE A 37 -9.089 -18.296 9.636 1.00 34.50 H new ATOM 0 HD13 ILE A 37 -7.374 -17.897 9.899 1.00 34.50 H new ATOM 596 N CYS A 38 -11.056 -14.010 7.293 1.00 23.31 N ATOM 597 CA CYS A 38 -11.250 -12.938 6.341 1.00 42.41 C ATOM 598 C CYS A 38 -11.185 -11.591 7.051 1.00 73.24 C ATOM 599 O CYS A 38 -11.685 -11.435 8.167 1.00 72.24 O ATOM 600 CB CYS A 38 -12.593 -13.104 5.627 1.00 5.50 C ATOM 601 SG CYS A 38 -12.792 -14.695 4.788 1.00 70.04 S ATOM 0 H CYS A 38 -11.720 -14.013 8.067 1.00 23.31 H new ATOM 0 HA CYS A 38 -10.455 -12.977 5.596 1.00 42.41 H new ATOM 0 HB2 CYS A 38 -13.396 -12.986 6.354 1.00 5.50 H new ATOM 0 HB3 CYS A 38 -12.705 -12.303 4.896 1.00 5.50 H new ATOM 0 HG CYS A 38 -13.959 -14.741 4.216 1.00 70.04 H new ATOM 607 N HIS A 39 -10.565 -10.624 6.401 1.00 54.04 N ATOM 608 CA HIS A 39 -10.411 -9.291 6.962 1.00 41.24 C ATOM 609 C HIS A 39 -10.336 -8.293 5.816 1.00 32.44 C ATOM 610 O HIS A 39 -9.872 -8.635 4.727 1.00 3.00 O ATOM 611 CB HIS A 39 -9.138 -9.226 7.825 1.00 3.42 C ATOM 612 CG HIS A 39 -9.167 -8.172 8.899 1.00 70.24 C ATOM 613 ND1 HIS A 39 -9.163 -8.476 10.245 1.00 65.11 N ATOM 614 CD2 HIS A 39 -9.177 -6.817 8.826 1.00 63.41 C ATOM 615 CE1 HIS A 39 -9.172 -7.360 10.949 1.00 64.01 C ATOM 616 NE2 HIS A 39 -9.180 -6.340 10.113 1.00 15.22 N1+ ATOM 0 H HIS A 39 -10.155 -10.737 5.474 1.00 54.04 H new ATOM 0 HA HIS A 39 -11.261 -9.050 7.600 1.00 41.24 H new ATOM 0 HB2 HIS A 39 -8.980 -10.198 8.292 1.00 3.42 H new ATOM 0 HB3 HIS A 39 -8.282 -9.042 7.175 1.00 3.42 H new ATOM 0 HD2 HIS A 39 -9.182 -6.224 7.923 1.00 63.41 H new ATOM 0 HE1 HIS A 39 -9.173 -7.293 12.027 1.00 64.01 H new ATOM 0 HE2 HIS A 39 -9.187 -5.356 10.380 1.00 15.22 H new ATOM 625 N VAL A 40 -10.803 -7.077 6.041 1.00 3.14 N ATOM 626 CA VAL A 40 -10.787 -6.071 4.993 1.00 30.31 C ATOM 627 C VAL A 40 -9.358 -5.611 4.709 1.00 74.33 C ATOM 628 O VAL A 40 -8.659 -5.109 5.589 1.00 44.14 O ATOM 629 CB VAL A 40 -11.678 -4.856 5.344 1.00 3.01 C ATOM 630 CG1 VAL A 40 -13.147 -5.245 5.301 1.00 72.42 C ATOM 631 CG2 VAL A 40 -11.327 -4.294 6.715 1.00 51.34 C ATOM 0 H VAL A 40 -11.194 -6.764 6.930 1.00 3.14 H new ATOM 0 HA VAL A 40 -11.197 -6.535 4.096 1.00 30.31 H new ATOM 0 HB VAL A 40 -11.494 -4.081 4.600 1.00 3.01 H new ATOM 0 HG11 VAL A 40 -13.760 -4.379 5.550 1.00 72.42 H new ATOM 0 HG12 VAL A 40 -13.402 -5.594 4.300 1.00 72.42 H new ATOM 0 HG13 VAL A 40 -13.334 -6.041 6.021 1.00 72.42 H new ATOM 0 HG21 VAL A 40 -11.970 -3.441 6.934 1.00 51.34 H new ATOM 0 HG22 VAL A 40 -11.475 -5.064 7.472 1.00 51.34 H new ATOM 0 HG23 VAL A 40 -10.285 -3.974 6.721 1.00 51.34 H new ATOM 641 N SER A 41 -8.915 -5.836 3.480 1.00 30.31 N ATOM 642 CA SER A 41 -7.587 -5.422 3.046 1.00 3.15 C ATOM 643 C SER A 41 -7.583 -5.191 1.537 1.00 11.03 C ATOM 644 O SER A 41 -6.763 -5.753 0.815 1.00 54.42 O ATOM 645 CB SER A 41 -6.558 -6.505 3.404 1.00 63.05 C ATOM 646 OG SER A 41 -6.632 -6.862 4.778 1.00 1.13 O ATOM 0 H SER A 41 -9.462 -6.308 2.759 1.00 30.31 H new ATOM 0 HA SER A 41 -7.322 -4.494 3.553 1.00 3.15 H new ATOM 0 HB2 SER A 41 -6.729 -7.388 2.788 1.00 63.05 H new ATOM 0 HB3 SER A 41 -5.555 -6.145 3.174 1.00 63.05 H new ATOM 0 HG SER A 41 -5.735 -6.835 5.172 1.00 1.13 H new ATOM 652 N GLY A 42 -8.505 -4.362 1.066 1.00 25.33 N ATOM 653 CA GLY A 42 -8.599 -4.103 -0.356 1.00 51.04 C ATOM 654 C GLY A 42 -9.462 -2.899 -0.672 1.00 33.13 C ATOM 655 O GLY A 42 -9.707 -2.055 0.193 1.00 14.45 O ATOM 0 H GLY A 42 -9.187 -3.866 1.641 1.00 25.33 H new ATOM 0 HA2 GLY A 42 -7.599 -3.945 -0.760 1.00 51.04 H new ATOM 0 HA3 GLY A 42 -9.009 -4.981 -0.855 1.00 51.04 H new ATOM 659 N LYS A 43 -9.942 -2.839 -1.914 1.00 75.21 N ATOM 660 CA LYS A 43 -10.816 -1.756 -2.376 1.00 64.10 C ATOM 661 C LYS A 43 -12.096 -1.681 -1.541 1.00 42.44 C ATOM 662 O LYS A 43 -12.746 -0.638 -1.479 1.00 73.42 O ATOM 663 CB LYS A 43 -11.168 -1.964 -3.855 1.00 24.04 C ATOM 664 CG LYS A 43 -11.954 -0.816 -4.476 1.00 53.31 C ATOM 665 CD LYS A 43 -12.297 -1.095 -5.934 1.00 71.21 C ATOM 666 CE LYS A 43 -13.214 -2.303 -6.074 1.00 15.32 C ATOM 667 NZ LYS A 43 -13.550 -2.590 -7.494 1.00 64.23 N1+ ATOM 0 H LYS A 43 -9.738 -3.538 -2.629 1.00 75.21 H new ATOM 0 HA LYS A 43 -10.280 -0.814 -2.258 1.00 64.10 H new ATOM 0 HB2 LYS A 43 -10.247 -2.106 -4.420 1.00 24.04 H new ATOM 0 HB3 LYS A 43 -11.748 -2.882 -3.954 1.00 24.04 H new ATOM 0 HG2 LYS A 43 -12.872 -0.655 -3.910 1.00 53.31 H new ATOM 0 HG3 LYS A 43 -11.372 0.103 -4.408 1.00 53.31 H new ATOM 0 HD2 LYS A 43 -12.779 -0.219 -6.369 1.00 71.21 H new ATOM 0 HD3 LYS A 43 -11.380 -1.267 -6.498 1.00 71.21 H new ATOM 0 HE2 LYS A 43 -12.733 -3.176 -5.632 1.00 15.32 H new ATOM 0 HE3 LYS A 43 -14.132 -2.127 -5.513 1.00 15.32 H new ATOM 0 HZ1 LYS A 43 -14.176 -3.419 -7.542 1.00 64.23 H new ATOM 0 HZ2 LYS A 43 -14.033 -1.768 -7.910 1.00 64.23 H new ATOM 0 HZ3 LYS A 43 -12.677 -2.784 -8.025 1.00 64.23 H new ATOM 681 N VAL A 44 -12.442 -2.794 -0.894 1.00 62.11 N ATOM 682 CA VAL A 44 -13.623 -2.867 -0.031 1.00 63.45 C ATOM 683 C VAL A 44 -13.614 -1.753 1.022 1.00 52.31 C ATOM 684 O VAL A 44 -14.659 -1.197 1.358 1.00 63.34 O ATOM 685 CB VAL A 44 -13.722 -4.253 0.663 1.00 35.22 C ATOM 686 CG1 VAL A 44 -12.439 -4.581 1.420 1.00 3.51 C ATOM 687 CG2 VAL A 44 -14.924 -4.316 1.594 1.00 53.50 C ATOM 0 H VAL A 44 -11.916 -3.666 -0.952 1.00 62.11 H new ATOM 0 HA VAL A 44 -14.498 -2.732 -0.667 1.00 63.45 H new ATOM 0 HB VAL A 44 -13.858 -5.003 -0.117 1.00 35.22 H new ATOM 0 HG11 VAL A 44 -12.537 -5.557 1.896 1.00 3.51 H new ATOM 0 HG12 VAL A 44 -11.600 -4.599 0.724 1.00 3.51 H new ATOM 0 HG13 VAL A 44 -12.262 -3.822 2.182 1.00 3.51 H new ATOM 0 HG21 VAL A 44 -14.968 -5.298 2.066 1.00 53.50 H new ATOM 0 HG22 VAL A 44 -14.830 -3.548 2.362 1.00 53.50 H new ATOM 0 HG23 VAL A 44 -15.836 -4.147 1.022 1.00 53.50 H new ATOM 697 N ARG A 45 -12.423 -1.406 1.500 1.00 42.44 N ATOM 698 CA ARG A 45 -12.272 -0.395 2.541 1.00 63.23 C ATOM 699 C ARG A 45 -12.628 0.989 1.998 1.00 72.02 C ATOM 700 O ARG A 45 -13.255 1.794 2.686 1.00 61.14 O ATOM 701 CB ARG A 45 -10.830 -0.423 3.068 1.00 34.03 C ATOM 702 CG ARG A 45 -10.612 0.259 4.417 1.00 75.13 C ATOM 703 CD ARG A 45 -10.597 1.777 4.312 1.00 13.52 C ATOM 704 NE ARG A 45 -10.122 2.402 5.545 1.00 62.24 N ATOM 705 CZ ARG A 45 -9.987 3.718 5.708 1.00 4.54 C ATOM 706 NH1 ARG A 45 -10.389 4.556 4.764 1.00 41.50 N ATOM 707 NH2 ARG A 45 -9.469 4.204 6.829 1.00 22.33 N ATOM 0 H ARG A 45 -11.544 -1.813 1.181 1.00 42.44 H new ATOM 0 HA ARG A 45 -12.954 -0.615 3.362 1.00 63.23 H new ATOM 0 HB2 ARG A 45 -10.511 -1.462 3.150 1.00 34.03 H new ATOM 0 HB3 ARG A 45 -10.183 0.052 2.331 1.00 34.03 H new ATOM 0 HG2 ARG A 45 -11.400 -0.046 5.105 1.00 75.13 H new ATOM 0 HG3 ARG A 45 -9.668 -0.081 4.843 1.00 75.13 H new ATOM 0 HD2 ARG A 45 -9.957 2.078 3.482 1.00 13.52 H new ATOM 0 HD3 ARG A 45 -11.601 2.136 4.086 1.00 13.52 H new ATOM 0 HE ARG A 45 -9.879 1.795 6.328 1.00 62.24 H new ATOM 0 HH11 ARG A 45 -10.805 4.195 3.905 1.00 41.50 H new ATOM 0 HH12 ARG A 45 -10.282 5.562 4.896 1.00 41.50 H new ATOM 0 HH21 ARG A 45 -9.172 3.570 7.571 1.00 22.33 H new ATOM 0 HH22 ARG A 45 -9.368 5.212 6.949 1.00 22.33 H new ATOM 721 N ARG A 46 -12.240 1.248 0.755 1.00 3.32 N ATOM 722 CA ARG A 46 -12.475 2.549 0.138 1.00 64.33 C ATOM 723 C ARG A 46 -13.894 2.656 -0.413 1.00 24.03 C ATOM 724 O ARG A 46 -14.461 3.746 -0.475 1.00 21.44 O ATOM 725 CB ARG A 46 -11.467 2.822 -0.987 1.00 55.31 C ATOM 726 CG ARG A 46 -10.074 3.200 -0.502 1.00 4.12 C ATOM 727 CD ARG A 46 -9.271 1.990 -0.050 1.00 51.21 C ATOM 728 NE ARG A 46 -7.989 2.381 0.535 1.00 11.00 N ATOM 729 CZ ARG A 46 -6.826 1.776 0.286 1.00 42.50 C ATOM 730 NH1 ARG A 46 -6.757 0.757 -0.566 1.00 54.40 N ATOM 731 NH2 ARG A 46 -5.716 2.216 0.866 1.00 2.25 N ATOM 0 H ARG A 46 -11.762 0.576 0.155 1.00 3.32 H new ATOM 0 HA ARG A 46 -12.345 3.298 0.919 1.00 64.33 H new ATOM 0 HB2 ARG A 46 -11.392 1.934 -1.615 1.00 55.31 H new ATOM 0 HB3 ARG A 46 -11.851 3.626 -1.616 1.00 55.31 H new ATOM 0 HG2 ARG A 46 -9.539 3.710 -1.303 1.00 4.12 H new ATOM 0 HG3 ARG A 46 -10.159 3.906 0.324 1.00 4.12 H new ATOM 0 HD2 ARG A 46 -9.847 1.423 0.681 1.00 51.21 H new ATOM 0 HD3 ARG A 46 -9.097 1.330 -0.900 1.00 51.21 H new ATOM 0 HE ARG A 46 -7.983 3.172 1.179 1.00 11.00 H new ATOM 0 HH11 ARG A 46 -7.600 0.429 -1.038 1.00 54.40 H new ATOM 0 HH12 ARG A 46 -5.862 0.304 -0.747 1.00 54.40 H new ATOM 0 HH21 ARG A 46 -5.754 3.014 1.500 1.00 2.25 H new ATOM 0 HH22 ARG A 46 -4.825 1.756 0.678 1.00 2.25 H new ATOM 745 N SER A 47 -14.468 1.526 -0.805 1.00 75.14 N ATOM 746 CA SER A 47 -15.793 1.521 -1.406 1.00 45.22 C ATOM 747 C SER A 47 -16.885 1.453 -0.339 1.00 1.53 C ATOM 748 O SER A 47 -18.075 1.540 -0.659 1.00 71.45 O ATOM 749 CB SER A 47 -15.930 0.349 -2.382 1.00 72.15 C ATOM 750 OG SER A 47 -17.150 0.422 -3.104 1.00 12.45 O ATOM 0 H SER A 47 -14.038 0.605 -0.718 1.00 75.14 H new ATOM 0 HA SER A 47 -15.917 2.455 -1.955 1.00 45.22 H new ATOM 0 HB2 SER A 47 -15.092 0.352 -3.078 1.00 72.15 H new ATOM 0 HB3 SER A 47 -15.885 -0.592 -1.833 1.00 72.15 H new ATOM 0 HG SER A 47 -17.833 0.854 -2.550 1.00 12.45 H new ATOM 756 N LYS A 48 -16.473 1.294 0.924 1.00 41.03 N ATOM 757 CA LYS A 48 -17.400 1.292 2.061 1.00 20.23 C ATOM 758 C LYS A 48 -18.416 0.157 1.933 1.00 30.24 C ATOM 759 O LYS A 48 -19.585 0.308 2.295 1.00 50.21 O ATOM 760 CB LYS A 48 -18.119 2.647 2.150 1.00 41.11 C ATOM 761 CG LYS A 48 -17.167 3.835 2.202 1.00 44.14 C ATOM 762 CD LYS A 48 -17.901 5.157 2.043 1.00 22.05 C ATOM 763 CE LYS A 48 -16.928 6.323 1.962 1.00 54.25 C ATOM 764 NZ LYS A 48 -17.628 7.616 1.742 1.00 45.35 N1+ ATOM 0 H LYS A 48 -15.496 1.164 1.185 1.00 41.03 H new ATOM 0 HA LYS A 48 -16.829 1.131 2.975 1.00 20.23 H new ATOM 0 HB2 LYS A 48 -18.779 2.757 1.289 1.00 41.11 H new ATOM 0 HB3 LYS A 48 -18.750 2.657 3.039 1.00 41.11 H new ATOM 0 HG2 LYS A 48 -16.631 3.829 3.151 1.00 44.14 H new ATOM 0 HG3 LYS A 48 -16.421 3.737 1.414 1.00 44.14 H new ATOM 0 HD2 LYS A 48 -18.514 5.129 1.142 1.00 22.05 H new ATOM 0 HD3 LYS A 48 -18.578 5.303 2.885 1.00 22.05 H new ATOM 0 HE2 LYS A 48 -16.348 6.376 2.883 1.00 54.25 H new ATOM 0 HE3 LYS A 48 -16.221 6.150 1.150 1.00 54.25 H new ATOM 0 HZ1 LYS A 48 -16.929 8.385 1.693 1.00 45.35 H new ATOM 0 HZ2 LYS A 48 -18.161 7.575 0.850 1.00 45.35 H new ATOM 0 HZ3 LYS A 48 -18.284 7.794 2.529 1.00 45.35 H new ATOM 778 N ILE A 49 -17.952 -0.987 1.440 1.00 54.14 N ATOM 779 CA ILE A 49 -18.828 -2.123 1.174 1.00 54.14 C ATOM 780 C ILE A 49 -19.416 -2.691 2.463 1.00 73.12 C ATOM 781 O ILE A 49 -18.711 -2.894 3.453 1.00 63.25 O ATOM 782 CB ILE A 49 -18.085 -3.237 0.406 1.00 63.00 C ATOM 783 CG1 ILE A 49 -17.595 -2.715 -0.948 1.00 71.40 C ATOM 784 CG2 ILE A 49 -18.982 -4.455 0.217 1.00 25.12 C ATOM 785 CD1 ILE A 49 -18.711 -2.259 -1.865 1.00 34.40 C ATOM 0 H ILE A 49 -16.971 -1.152 1.216 1.00 54.14 H new ATOM 0 HA ILE A 49 -19.644 -1.754 0.554 1.00 54.14 H new ATOM 0 HB ILE A 49 -17.220 -3.541 0.995 1.00 63.00 H new ATOM 0 HG12 ILE A 49 -16.911 -1.883 -0.781 1.00 71.40 H new ATOM 0 HG13 ILE A 49 -17.026 -3.500 -1.446 1.00 71.40 H new ATOM 0 HG21 ILE A 49 -18.437 -5.227 -0.327 1.00 25.12 H new ATOM 0 HG22 ILE A 49 -19.282 -4.840 1.191 1.00 25.12 H new ATOM 0 HG23 ILE A 49 -19.869 -4.170 -0.349 1.00 25.12 H new ATOM 0 HD11 ILE A 49 -18.288 -1.903 -2.804 1.00 34.40 H new ATOM 0 HD12 ILE A 49 -19.383 -3.094 -2.063 1.00 34.40 H new ATOM 0 HD13 ILE A 49 -19.267 -1.452 -1.388 1.00 34.40 H new ATOM 797 N ARG A 50 -20.716 -2.936 2.436 1.00 42.20 N ATOM 798 CA ARG A 50 -21.432 -3.460 3.586 1.00 3.44 C ATOM 799 C ARG A 50 -21.419 -4.986 3.586 1.00 20.33 C ATOM 800 O ARG A 50 -22.108 -5.625 2.789 1.00 22.21 O ATOM 801 CB ARG A 50 -22.869 -2.934 3.567 1.00 24.43 C ATOM 802 CG ARG A 50 -23.737 -3.417 4.718 1.00 45.20 C ATOM 803 CD ARG A 50 -25.093 -2.733 4.689 1.00 72.33 C ATOM 804 NE ARG A 50 -25.976 -3.198 5.757 1.00 61.45 N ATOM 805 CZ ARG A 50 -26.386 -2.430 6.762 1.00 23.22 C ATOM 806 NH1 ARG A 50 -25.887 -1.209 6.914 1.00 12.42 N ATOM 807 NH2 ARG A 50 -27.272 -2.898 7.630 1.00 14.33 N ATOM 0 H ARG A 50 -21.303 -2.777 1.617 1.00 42.20 H new ATOM 0 HA ARG A 50 -20.936 -3.125 4.497 1.00 3.44 H new ATOM 0 HB2 ARG A 50 -22.843 -1.844 3.582 1.00 24.43 H new ATOM 0 HB3 ARG A 50 -23.337 -3.229 2.628 1.00 24.43 H new ATOM 0 HG2 ARG A 50 -23.867 -4.497 4.654 1.00 45.20 H new ATOM 0 HG3 ARG A 50 -23.240 -3.212 5.666 1.00 45.20 H new ATOM 0 HD2 ARG A 50 -24.955 -1.656 4.779 1.00 72.33 H new ATOM 0 HD3 ARG A 50 -25.567 -2.914 3.725 1.00 72.33 H new ATOM 0 HE ARG A 50 -26.296 -4.166 5.730 1.00 61.45 H new ATOM 0 HH11 ARG A 50 -25.188 -0.859 6.259 1.00 12.42 H new ATOM 0 HH12 ARG A 50 -26.203 -0.621 7.686 1.00 12.42 H new ATOM 0 HH21 ARG A 50 -27.637 -3.845 7.526 1.00 14.33 H new ATOM 0 HH22 ARG A 50 -27.589 -2.311 8.402 1.00 14.33 H new ATOM 821 N ILE A 51 -20.610 -5.561 4.464 1.00 53.05 N ATOM 822 CA ILE A 51 -20.555 -7.008 4.618 1.00 5.11 C ATOM 823 C ILE A 51 -21.635 -7.470 5.591 1.00 61.42 C ATOM 824 O ILE A 51 -21.694 -7.002 6.731 1.00 22.30 O ATOM 825 CB ILE A 51 -19.173 -7.469 5.128 1.00 3.40 C ATOM 826 CG1 ILE A 51 -18.064 -6.912 4.229 1.00 21.24 C ATOM 827 CG2 ILE A 51 -19.105 -8.990 5.184 1.00 44.42 C ATOM 828 CD1 ILE A 51 -16.664 -7.274 4.681 1.00 4.12 C ATOM 0 H ILE A 51 -19.982 -5.047 5.082 1.00 53.05 H new ATOM 0 HA ILE A 51 -20.725 -7.454 3.638 1.00 5.11 H new ATOM 0 HB ILE A 51 -19.027 -7.084 6.137 1.00 3.40 H new ATOM 0 HG12 ILE A 51 -18.214 -7.281 3.214 1.00 21.24 H new ATOM 0 HG13 ILE A 51 -18.153 -5.826 4.190 1.00 21.24 H new ATOM 0 HG21 ILE A 51 -18.124 -9.297 5.546 1.00 44.42 H new ATOM 0 HG22 ILE A 51 -19.874 -9.364 5.860 1.00 44.42 H new ATOM 0 HG23 ILE A 51 -19.268 -9.398 4.187 1.00 44.42 H new ATOM 0 HD11 ILE A 51 -15.937 -6.843 3.993 1.00 4.12 H new ATOM 0 HD12 ILE A 51 -16.492 -6.882 5.683 1.00 4.12 H new ATOM 0 HD13 ILE A 51 -16.554 -8.358 4.692 1.00 4.12 H new ATOM 840 N ILE A 52 -22.492 -8.377 5.137 1.00 35.44 N ATOM 841 CA ILE A 52 -23.623 -8.832 5.938 1.00 61.55 C ATOM 842 C ILE A 52 -23.531 -10.331 6.216 1.00 34.50 C ATOM 843 O ILE A 52 -22.942 -11.082 5.439 1.00 2.34 O ATOM 844 CB ILE A 52 -24.983 -8.510 5.260 1.00 72.14 C ATOM 845 CG1 ILE A 52 -25.221 -9.376 4.010 1.00 64.43 C ATOM 846 CG2 ILE A 52 -25.050 -7.033 4.892 1.00 70.33 C ATOM 847 CD1 ILE A 52 -24.361 -9.009 2.818 1.00 15.21 C ATOM 0 H ILE A 52 -22.425 -8.813 4.217 1.00 35.44 H new ATOM 0 HA ILE A 52 -23.576 -8.289 6.882 1.00 61.55 H new ATOM 0 HB ILE A 52 -25.770 -8.742 5.978 1.00 72.14 H new ATOM 0 HG12 ILE A 52 -25.038 -10.420 4.266 1.00 64.43 H new ATOM 0 HG13 ILE A 52 -26.270 -9.297 3.723 1.00 64.43 H new ATOM 0 HG21 ILE A 52 -26.008 -6.819 4.418 1.00 70.33 H new ATOM 0 HG22 ILE A 52 -24.949 -6.429 5.793 1.00 70.33 H new ATOM 0 HG23 ILE A 52 -24.241 -6.793 4.201 1.00 70.33 H new ATOM 0 HD11 ILE A 52 -24.595 -9.670 1.983 1.00 15.21 H new ATOM 0 HD12 ILE A 52 -24.559 -7.977 2.530 1.00 15.21 H new ATOM 0 HD13 ILE A 52 -23.309 -9.116 3.082 1.00 15.21 H new ATOM 859 N ILE A 53 -24.102 -10.754 7.336 1.00 72.23 N ATOM 860 CA ILE A 53 -24.053 -12.154 7.746 1.00 64.31 C ATOM 861 C ILE A 53 -25.071 -12.988 6.968 1.00 51.40 C ATOM 862 O ILE A 53 -26.177 -12.525 6.686 1.00 25.34 O ATOM 863 CB ILE A 53 -24.326 -12.295 9.260 1.00 73.32 C ATOM 864 CG1 ILE A 53 -23.382 -11.385 10.050 1.00 31.33 C ATOM 865 CG2 ILE A 53 -24.171 -13.745 9.709 1.00 53.24 C ATOM 866 CD1 ILE A 53 -23.646 -11.383 11.540 1.00 1.43 C ATOM 0 H ILE A 53 -24.607 -10.146 7.980 1.00 72.23 H new ATOM 0 HA ILE A 53 -23.051 -12.523 7.528 1.00 64.31 H new ATOM 0 HB ILE A 53 -25.354 -11.991 9.455 1.00 73.32 H new ATOM 0 HG12 ILE A 53 -22.354 -11.701 9.872 1.00 31.33 H new ATOM 0 HG13 ILE A 53 -23.473 -10.367 9.672 1.00 31.33 H new ATOM 0 HG21 ILE A 53 -24.368 -13.818 10.779 1.00 53.24 H new ATOM 0 HG22 ILE A 53 -24.879 -14.372 9.166 1.00 53.24 H new ATOM 0 HG23 ILE A 53 -23.155 -14.083 9.504 1.00 53.24 H new ATOM 0 HD11 ILE A 53 -22.939 -10.716 12.034 1.00 1.43 H new ATOM 0 HD12 ILE A 53 -24.663 -11.038 11.729 1.00 1.43 H new ATOM 0 HD13 ILE A 53 -23.527 -12.393 11.932 1.00 1.43 H new ATOM 878 N GLY A 54 -24.688 -14.211 6.614 1.00 14.15 N ATOM 879 CA GLY A 54 -25.605 -15.119 5.943 1.00 23.33 C ATOM 880 C GLY A 54 -25.557 -14.987 4.436 1.00 71.13 C ATOM 881 O GLY A 54 -26.384 -15.563 3.722 1.00 20.31 O ATOM 0 H GLY A 54 -23.756 -14.592 6.780 1.00 14.15 H new ATOM 0 HA2 GLY A 54 -25.364 -16.145 6.222 1.00 23.33 H new ATOM 0 HA3 GLY A 54 -26.620 -14.925 6.289 1.00 23.33 H new ATOM 885 N ASP A 55 -24.589 -14.235 3.950 1.00 32.42 N ATOM 886 CA ASP A 55 -24.442 -14.004 2.521 1.00 30.31 C ATOM 887 C ASP A 55 -23.192 -14.701 1.997 1.00 41.15 C ATOM 888 O ASP A 55 -22.232 -14.919 2.743 1.00 72.45 O ATOM 889 CB ASP A 55 -24.372 -12.499 2.245 1.00 53.21 C ATOM 890 CG ASP A 55 -24.214 -12.161 0.773 1.00 1.14 C ATOM 891 OD1 ASP A 55 -25.094 -12.540 -0.031 1.00 21.45 O ATOM 892 OD2 ASP A 55 -23.221 -11.496 0.419 1.00 3.41 O ATOM 0 H ASP A 55 -23.887 -13.770 4.526 1.00 32.42 H new ATOM 0 HA ASP A 55 -25.307 -14.418 2.003 1.00 30.31 H new ATOM 0 HB2 ASP A 55 -25.278 -12.026 2.623 1.00 53.21 H new ATOM 0 HB3 ASP A 55 -23.535 -12.074 2.799 1.00 53.21 H new ATOM 897 N ARG A 56 -23.219 -15.081 0.729 1.00 43.50 N ATOM 898 CA ARG A 56 -22.065 -15.690 0.092 1.00 52.44 C ATOM 899 C ARG A 56 -21.059 -14.603 -0.252 1.00 72.20 C ATOM 900 O ARG A 56 -21.438 -13.484 -0.579 1.00 42.33 O ATOM 901 CB ARG A 56 -22.481 -16.447 -1.177 1.00 55.04 C ATOM 902 CG ARG A 56 -23.557 -17.502 -0.947 1.00 4.33 C ATOM 903 CD ARG A 56 -23.071 -18.627 -0.048 1.00 35.02 C ATOM 904 NE ARG A 56 -22.078 -19.485 -0.703 1.00 22.33 N ATOM 905 CZ ARG A 56 -21.778 -20.723 -0.290 1.00 74.41 C ATOM 906 NH1 ARG A 56 -22.408 -21.251 0.755 1.00 64.21 N ATOM 907 NH2 ARG A 56 -20.871 -21.444 -0.939 1.00 54.24 N ATOM 0 H ARG A 56 -24.031 -14.977 0.120 1.00 43.50 H new ATOM 0 HA ARG A 56 -21.613 -16.406 0.778 1.00 52.44 H new ATOM 0 HB2 ARG A 56 -22.842 -15.729 -1.913 1.00 55.04 H new ATOM 0 HB3 ARG A 56 -21.601 -16.928 -1.605 1.00 55.04 H new ATOM 0 HG2 ARG A 56 -24.434 -17.034 -0.499 1.00 4.33 H new ATOM 0 HG3 ARG A 56 -23.871 -17.914 -1.906 1.00 4.33 H new ATOM 0 HD2 ARG A 56 -22.637 -18.202 0.857 1.00 35.02 H new ATOM 0 HD3 ARG A 56 -23.922 -19.234 0.261 1.00 35.02 H new ATOM 0 HE ARG A 56 -21.588 -19.118 -1.519 1.00 22.33 H new ATOM 0 HH11 ARG A 56 -23.123 -20.713 1.245 1.00 64.21 H new ATOM 0 HH12 ARG A 56 -22.177 -22.194 1.067 1.00 64.21 H new ATOM 0 HH21 ARG A 56 -20.400 -21.055 -1.756 1.00 54.24 H new ATOM 0 HH22 ARG A 56 -20.646 -22.387 -0.621 1.00 54.24 H new ATOM 921 N VAL A 57 -19.783 -14.916 -0.167 1.00 1.10 N ATOM 922 CA VAL A 57 -18.754 -13.932 -0.451 1.00 52.44 C ATOM 923 C VAL A 57 -17.691 -14.500 -1.375 1.00 42.42 C ATOM 924 O VAL A 57 -17.483 -15.711 -1.428 1.00 63.44 O ATOM 925 CB VAL A 57 -18.075 -13.415 0.839 1.00 61.41 C ATOM 926 CG1 VAL A 57 -19.065 -12.647 1.706 1.00 43.45 C ATOM 927 CG2 VAL A 57 -17.455 -14.563 1.624 1.00 71.35 C ATOM 0 H VAL A 57 -19.433 -15.838 0.095 1.00 1.10 H new ATOM 0 HA VAL A 57 -19.255 -13.097 -0.941 1.00 52.44 H new ATOM 0 HB VAL A 57 -17.278 -12.732 0.546 1.00 61.41 H new ATOM 0 HG11 VAL A 57 -18.563 -12.294 2.607 1.00 43.45 H new ATOM 0 HG12 VAL A 57 -19.452 -11.794 1.148 1.00 43.45 H new ATOM 0 HG13 VAL A 57 -19.890 -13.303 1.984 1.00 43.45 H new ATOM 0 HG21 VAL A 57 -16.984 -14.174 2.527 1.00 71.35 H new ATOM 0 HG22 VAL A 57 -18.231 -15.277 1.899 1.00 71.35 H new ATOM 0 HG23 VAL A 57 -16.705 -15.061 1.009 1.00 71.35 H new ATOM 937 N LEU A 58 -17.029 -13.615 -2.098 1.00 44.33 N ATOM 938 CA LEU A 58 -15.903 -13.991 -2.928 1.00 70.41 C ATOM 939 C LEU A 58 -14.626 -13.500 -2.267 1.00 32.25 C ATOM 940 O LEU A 58 -14.352 -12.299 -2.235 1.00 45.44 O ATOM 941 CB LEU A 58 -16.050 -13.394 -4.332 1.00 54.22 C ATOM 942 CG LEU A 58 -14.894 -13.686 -5.295 1.00 4.25 C ATOM 943 CD1 LEU A 58 -14.771 -15.180 -5.561 1.00 40.13 C ATOM 944 CD2 LEU A 58 -15.084 -12.926 -6.597 1.00 11.24 C ATOM 0 H LEU A 58 -17.256 -12.621 -2.125 1.00 44.33 H new ATOM 0 HA LEU A 58 -15.866 -15.076 -3.031 1.00 70.41 H new ATOM 0 HB2 LEU A 58 -16.972 -13.771 -4.774 1.00 54.22 H new ATOM 0 HB3 LEU A 58 -16.159 -12.313 -4.239 1.00 54.22 H new ATOM 0 HG LEU A 58 -13.969 -13.349 -4.828 1.00 4.25 H new ATOM 0 HD11 LEU A 58 -13.944 -15.360 -6.247 1.00 40.13 H new ATOM 0 HD12 LEU A 58 -14.585 -15.703 -4.623 1.00 40.13 H new ATOM 0 HD13 LEU A 58 -15.696 -15.548 -6.004 1.00 40.13 H new ATOM 0 HD21 LEU A 58 -14.255 -13.144 -7.270 1.00 11.24 H new ATOM 0 HD22 LEU A 58 -16.020 -13.232 -7.064 1.00 11.24 H new ATOM 0 HD23 LEU A 58 -15.113 -11.856 -6.393 1.00 11.24 H new ATOM 956 N VAL A 59 -13.867 -14.425 -1.706 1.00 3.31 N ATOM 957 CA VAL A 59 -12.683 -14.065 -0.949 1.00 63.12 C ATOM 958 C VAL A 59 -11.425 -14.182 -1.804 1.00 20.44 C ATOM 959 O VAL A 59 -11.177 -15.205 -2.448 1.00 62.13 O ATOM 960 CB VAL A 59 -12.549 -14.915 0.340 1.00 54.55 C ATOM 961 CG1 VAL A 59 -12.531 -16.401 0.023 1.00 72.41 C ATOM 962 CG2 VAL A 59 -11.311 -14.516 1.131 1.00 24.14 C ATOM 0 H VAL A 59 -14.049 -15.427 -1.760 1.00 3.31 H new ATOM 0 HA VAL A 59 -12.796 -13.023 -0.650 1.00 63.12 H new ATOM 0 HB VAL A 59 -13.425 -14.716 0.958 1.00 54.55 H new ATOM 0 HG11 VAL A 59 -12.436 -16.969 0.948 1.00 72.41 H new ATOM 0 HG12 VAL A 59 -13.458 -16.677 -0.479 1.00 72.41 H new ATOM 0 HG13 VAL A 59 -11.686 -16.624 -0.628 1.00 72.41 H new ATOM 0 HG21 VAL A 59 -11.241 -15.128 2.030 1.00 24.14 H new ATOM 0 HG22 VAL A 59 -10.423 -14.669 0.518 1.00 24.14 H new ATOM 0 HG23 VAL A 59 -11.382 -13.465 1.412 1.00 24.14 H new ATOM 972 N GLU A 60 -10.656 -13.107 -1.823 1.00 44.43 N ATOM 973 CA GLU A 60 -9.404 -13.063 -2.558 1.00 44.20 C ATOM 974 C GLU A 60 -8.235 -13.212 -1.590 1.00 72.40 C ATOM 975 O GLU A 60 -7.987 -12.327 -0.773 1.00 23.23 O ATOM 976 CB GLU A 60 -9.298 -11.735 -3.311 1.00 21.12 C ATOM 977 CG GLU A 60 -7.969 -11.530 -4.022 1.00 1.21 C ATOM 978 CD GLU A 60 -7.793 -10.114 -4.532 1.00 62.51 C ATOM 979 OE1 GLU A 60 -8.089 -9.859 -5.718 1.00 63.12 O ATOM 980 OE2 GLU A 60 -7.345 -9.247 -3.748 1.00 41.34 O ATOM 0 H GLU A 60 -10.881 -12.242 -1.331 1.00 44.43 H new ATOM 0 HA GLU A 60 -9.375 -13.882 -3.276 1.00 44.20 H new ATOM 0 HB2 GLU A 60 -10.103 -11.680 -4.044 1.00 21.12 H new ATOM 0 HB3 GLU A 60 -9.452 -10.917 -2.607 1.00 21.12 H new ATOM 0 HG2 GLU A 60 -7.155 -11.770 -3.338 1.00 1.21 H new ATOM 0 HG3 GLU A 60 -7.898 -12.225 -4.859 1.00 1.21 H new ATOM 987 N MET A 61 -7.534 -14.333 -1.658 1.00 24.32 N ATOM 988 CA MET A 61 -6.395 -14.562 -0.781 1.00 60.44 C ATOM 989 C MET A 61 -5.203 -15.099 -1.563 1.00 50.23 C ATOM 990 O MET A 61 -5.353 -15.624 -2.666 1.00 30.33 O ATOM 991 CB MET A 61 -6.776 -15.493 0.381 1.00 25.11 C ATOM 992 CG MET A 61 -7.498 -16.773 -0.018 1.00 72.40 C ATOM 993 SD MET A 61 -6.445 -17.963 -0.874 1.00 75.21 S ATOM 994 CE MET A 61 -7.613 -19.284 -1.186 1.00 5.34 C ATOM 0 H MET A 61 -7.731 -15.095 -2.307 1.00 24.32 H new ATOM 0 HA MET A 61 -6.099 -13.605 -0.351 1.00 60.44 H new ATOM 0 HB2 MET A 61 -5.869 -15.761 0.922 1.00 25.11 H new ATOM 0 HB3 MET A 61 -7.409 -14.940 1.075 1.00 25.11 H new ATOM 0 HG2 MET A 61 -7.909 -17.242 0.876 1.00 72.40 H new ATOM 0 HG3 MET A 61 -8.341 -16.519 -0.661 1.00 72.40 H new ATOM 0 HE1 MET A 61 -7.111 -20.097 -1.711 1.00 5.34 H new ATOM 0 HE2 MET A 61 -8.007 -19.653 -0.239 1.00 5.34 H new ATOM 0 HE3 MET A 61 -8.433 -18.908 -1.798 1.00 5.34 H new ATOM 1004 N SER A 62 -4.017 -14.934 -0.998 1.00 25.22 N ATOM 1005 CA SER A 62 -2.788 -15.310 -1.672 1.00 54.40 C ATOM 1006 C SER A 62 -2.283 -16.657 -1.164 1.00 12.31 C ATOM 1007 O SER A 62 -2.365 -16.951 0.024 1.00 62.34 O ATOM 1008 CB SER A 62 -1.733 -14.228 -1.455 1.00 72.41 C ATOM 1009 OG SER A 62 -2.236 -12.958 -1.833 1.00 20.11 O ATOM 0 H SER A 62 -3.881 -14.539 -0.067 1.00 25.22 H new ATOM 0 HA SER A 62 -2.987 -15.406 -2.739 1.00 54.40 H new ATOM 0 HB2 SER A 62 -1.434 -14.209 -0.407 1.00 72.41 H new ATOM 0 HB3 SER A 62 -0.841 -14.460 -2.037 1.00 72.41 H new ATOM 0 HG SER A 62 -1.547 -12.276 -1.686 1.00 20.11 H new ATOM 1015 N ILE A 63 -1.722 -17.449 -2.066 1.00 23.33 N ATOM 1016 CA ILE A 63 -1.271 -18.802 -1.740 1.00 61.50 C ATOM 1017 C ILE A 63 0.073 -18.777 -0.990 1.00 41.54 C ATOM 1018 O ILE A 63 0.644 -19.819 -0.666 1.00 11.33 O ATOM 1019 CB ILE A 63 -1.136 -19.649 -3.034 1.00 74.42 C ATOM 1020 CG1 ILE A 63 -2.361 -19.443 -3.935 1.00 31.42 C ATOM 1021 CG2 ILE A 63 -0.970 -21.131 -2.712 1.00 13.53 C ATOM 1022 CD1 ILE A 63 -3.672 -19.852 -3.294 1.00 41.31 C ATOM 0 H ILE A 63 -1.566 -17.179 -3.037 1.00 23.33 H new ATOM 0 HA ILE A 63 -2.018 -19.255 -1.088 1.00 61.50 H new ATOM 0 HB ILE A 63 -0.242 -19.313 -3.560 1.00 74.42 H new ATOM 0 HG12 ILE A 63 -2.419 -18.392 -4.218 1.00 31.42 H new ATOM 0 HG13 ILE A 63 -2.224 -20.013 -4.854 1.00 31.42 H new ATOM 0 HG21 ILE A 63 -0.878 -21.697 -3.639 1.00 13.53 H new ATOM 0 HG22 ILE A 63 -0.073 -21.274 -2.109 1.00 13.53 H new ATOM 0 HG23 ILE A 63 -1.840 -21.482 -2.157 1.00 13.53 H new ATOM 0 HD11 ILE A 63 -4.489 -19.676 -3.993 1.00 41.31 H new ATOM 0 HD12 ILE A 63 -3.636 -20.911 -3.036 1.00 41.31 H new ATOM 0 HD13 ILE A 63 -3.834 -19.264 -2.391 1.00 41.31 H new ATOM 1034 N TYR A 64 0.567 -17.579 -0.699 1.00 71.23 N ATOM 1035 CA TYR A 64 1.882 -17.428 -0.085 1.00 25.14 C ATOM 1036 C TYR A 64 1.857 -17.710 1.421 1.00 74.52 C ATOM 1037 O TYR A 64 2.027 -18.854 1.835 1.00 10.15 O ATOM 1038 CB TYR A 64 2.448 -16.038 -0.369 1.00 34.34 C ATOM 1039 CG TYR A 64 2.695 -15.787 -1.838 1.00 73.41 C ATOM 1040 CD1 TYR A 64 3.779 -16.369 -2.484 1.00 44.24 C ATOM 1041 CD2 TYR A 64 1.843 -14.978 -2.579 1.00 75.15 C ATOM 1042 CE1 TYR A 64 4.009 -16.149 -3.827 1.00 32.41 C ATOM 1043 CE2 TYR A 64 2.067 -14.752 -3.923 1.00 13.41 C ATOM 1044 CZ TYR A 64 3.149 -15.342 -4.543 1.00 74.32 C ATOM 1045 OH TYR A 64 3.376 -15.120 -5.881 1.00 32.35 O ATOM 0 H TYR A 64 0.079 -16.701 -0.877 1.00 71.23 H new ATOM 0 HA TYR A 64 2.537 -18.174 -0.535 1.00 25.14 H new ATOM 0 HB2 TYR A 64 1.756 -15.286 0.011 1.00 34.34 H new ATOM 0 HB3 TYR A 64 3.383 -15.915 0.177 1.00 34.34 H new ATOM 0 HD1 TYR A 64 4.452 -17.003 -1.926 1.00 44.24 H new ATOM 0 HD2 TYR A 64 0.993 -14.519 -2.097 1.00 75.15 H new ATOM 0 HE1 TYR A 64 4.857 -16.606 -4.315 1.00 32.41 H new ATOM 0 HE2 TYR A 64 1.399 -14.117 -4.486 1.00 13.41 H new ATOM 0 HH TYR A 64 3.823 -15.900 -6.271 1.00 32.35 H new ATOM 1055 N ASP A 65 1.644 -16.682 2.242 1.00 13.04 N ATOM 1056 CA ASP A 65 1.701 -16.868 3.695 1.00 61.30 C ATOM 1057 C ASP A 65 0.748 -15.943 4.448 1.00 10.45 C ATOM 1058 O ASP A 65 -0.239 -16.401 5.019 1.00 45.20 O ATOM 1059 CB ASP A 65 3.127 -16.656 4.206 1.00 64.04 C ATOM 1060 CG ASP A 65 3.217 -16.731 5.719 1.00 51.54 C ATOM 1061 OD1 ASP A 65 3.070 -17.836 6.274 1.00 30.24 O ATOM 1062 OD2 ASP A 65 3.422 -15.678 6.360 1.00 73.42 O ATOM 0 H ASP A 65 1.435 -15.731 1.937 1.00 13.04 H new ATOM 0 HA ASP A 65 1.384 -17.893 3.888 1.00 61.30 H new ATOM 0 HB2 ASP A 65 3.783 -17.409 3.768 1.00 64.04 H new ATOM 0 HB3 ASP A 65 3.489 -15.684 3.871 1.00 64.04 H new ATOM 1067 N ARG A 66 1.040 -14.642 4.449 1.00 31.03 N ATOM 1068 CA ARG A 66 0.242 -13.686 5.222 1.00 44.14 C ATOM 1069 C ARG A 66 -1.232 -13.763 4.838 1.00 33.03 C ATOM 1070 O ARG A 66 -2.103 -13.801 5.702 1.00 31.14 O ATOM 1071 CB ARG A 66 0.764 -12.241 5.076 1.00 52.50 C ATOM 1072 CG ARG A 66 0.706 -11.666 3.666 1.00 35.30 C ATOM 1073 CD ARG A 66 1.796 -12.242 2.782 1.00 32.01 C ATOM 1074 NE ARG A 66 1.690 -11.790 1.400 1.00 23.41 N ATOM 1075 CZ ARG A 66 2.505 -12.185 0.424 1.00 62.12 C ATOM 1076 NH1 ARG A 66 3.538 -12.980 0.698 1.00 74.21 N ATOM 1077 NH2 ARG A 66 2.301 -11.766 -0.818 1.00 61.13 N ATOM 0 H ARG A 66 1.814 -14.228 3.930 1.00 31.03 H new ATOM 0 HA ARG A 66 0.343 -13.966 6.271 1.00 44.14 H new ATOM 0 HB2 ARG A 66 0.187 -11.595 5.738 1.00 52.50 H new ATOM 0 HB3 ARG A 66 1.797 -12.209 5.421 1.00 52.50 H new ATOM 0 HG2 ARG A 66 -0.269 -11.877 3.226 1.00 35.30 H new ATOM 0 HG3 ARG A 66 0.808 -10.582 3.710 1.00 35.30 H new ATOM 0 HD2 ARG A 66 2.770 -11.958 3.180 1.00 32.01 H new ATOM 0 HD3 ARG A 66 1.745 -13.330 2.810 1.00 32.01 H new ATOM 0 HE ARG A 66 0.947 -11.132 1.167 1.00 23.41 H new ATOM 0 HH11 ARG A 66 3.705 -13.287 1.656 1.00 74.21 H new ATOM 0 HH12 ARG A 66 4.162 -13.282 -0.050 1.00 74.21 H new ATOM 0 HH21 ARG A 66 1.521 -11.142 -1.024 1.00 61.13 H new ATOM 0 HH22 ARG A 66 2.924 -12.068 -1.567 1.00 61.13 H new ATOM 1091 N ASN A 67 -1.504 -13.818 3.543 1.00 32.14 N ATOM 1092 CA ASN A 67 -2.873 -13.910 3.059 1.00 20.12 C ATOM 1093 C ASN A 67 -3.236 -15.345 2.704 1.00 21.33 C ATOM 1094 O ASN A 67 -4.151 -15.576 1.925 1.00 62.54 O ATOM 1095 CB ASN A 67 -3.090 -12.996 1.852 1.00 14.11 C ATOM 1096 CG ASN A 67 -3.197 -11.531 2.237 1.00 41.31 C ATOM 1097 OD1 ASN A 67 -3.684 -11.182 3.317 1.00 40.33 O ATOM 1098 ND2 ASN A 67 -2.740 -10.665 1.355 1.00 11.43 N ATOM 0 H ASN A 67 -0.796 -13.801 2.809 1.00 32.14 H new ATOM 0 HA ASN A 67 -3.528 -13.580 3.865 1.00 20.12 H new ATOM 0 HB2 ASN A 67 -2.265 -13.124 1.152 1.00 14.11 H new ATOM 0 HB3 ASN A 67 -3.999 -13.298 1.332 1.00 14.11 H new ATOM 0 HD21 ASN A 67 -2.781 -9.665 1.553 1.00 11.43 H new ATOM 0 HD22 ASN A 67 -2.345 -10.994 0.474 1.00 11.43 H new ATOM 1105 N ALA A 68 -2.511 -16.303 3.273 1.00 12.41 N ATOM 1106 CA ALA A 68 -2.846 -17.713 3.094 1.00 24.12 C ATOM 1107 C ALA A 68 -3.736 -18.173 4.236 1.00 33.52 C ATOM 1108 O ALA A 68 -4.405 -19.200 4.154 1.00 23.02 O ATOM 1109 CB ALA A 68 -1.587 -18.564 3.016 1.00 53.23 C ATOM 0 H ALA A 68 -1.693 -16.132 3.858 1.00 12.41 H new ATOM 0 HA ALA A 68 -3.384 -17.831 2.154 1.00 24.12 H new ATOM 0 HB1 ALA A 68 -1.863 -19.610 2.883 1.00 53.23 H new ATOM 0 HB2 ALA A 68 -0.979 -18.238 2.172 1.00 53.23 H new ATOM 0 HB3 ALA A 68 -1.016 -18.454 3.938 1.00 53.23 H new ATOM 1115 N LYS A 69 -3.721 -17.398 5.310 1.00 33.14 N ATOM 1116 CA LYS A 69 -4.592 -17.641 6.447 1.00 1.43 C ATOM 1117 C LYS A 69 -5.765 -16.673 6.416 1.00 32.54 C ATOM 1118 O LYS A 69 -6.916 -17.060 6.626 1.00 20.41 O ATOM 1119 CB LYS A 69 -3.825 -17.476 7.758 1.00 74.22 C ATOM 1120 CG LYS A 69 -2.752 -18.527 7.987 1.00 40.53 C ATOM 1121 CD LYS A 69 -2.063 -18.315 9.323 1.00 52.32 C ATOM 1122 CE LYS A 69 -1.222 -17.048 9.330 1.00 54.04 C ATOM 1123 NZ LYS A 69 0.052 -17.220 8.585 1.00 44.44 N1+ ATOM 0 H LYS A 69 -3.109 -16.589 5.417 1.00 33.14 H new ATOM 0 HA LYS A 69 -4.963 -18.664 6.385 1.00 1.43 H new ATOM 0 HB2 LYS A 69 -3.361 -16.490 7.773 1.00 74.22 H new ATOM 0 HB3 LYS A 69 -4.532 -17.508 8.587 1.00 74.22 H new ATOM 0 HG2 LYS A 69 -3.198 -19.521 7.957 1.00 40.53 H new ATOM 0 HG3 LYS A 69 -2.017 -18.483 7.183 1.00 40.53 H new ATOM 0 HD2 LYS A 69 -2.812 -18.259 10.113 1.00 52.32 H new ATOM 0 HD3 LYS A 69 -1.429 -19.173 9.545 1.00 52.32 H new ATOM 0 HE2 LYS A 69 -1.793 -16.232 8.888 1.00 54.04 H new ATOM 0 HE3 LYS A 69 -1.004 -16.763 10.359 1.00 54.04 H new ATOM 0 HZ1 LYS A 69 0.602 -16.338 8.629 1.00 44.44 H new ATOM 0 HZ2 LYS A 69 0.602 -17.993 9.011 1.00 44.44 H new ATOM 0 HZ3 LYS A 69 -0.155 -17.449 7.592 1.00 44.44 H new ATOM 1137 N LYS A 70 -5.454 -15.409 6.160 1.00 4.31 N ATOM 1138 CA LYS A 70 -6.472 -14.374 6.047 1.00 63.23 C ATOM 1139 C LYS A 70 -6.659 -13.955 4.597 1.00 52.40 C ATOM 1140 O LYS A 70 -5.693 -13.774 3.863 1.00 4.41 O ATOM 1141 CB LYS A 70 -6.111 -13.149 6.892 1.00 2.25 C ATOM 1142 CG LYS A 70 -4.748 -12.554 6.567 1.00 33.51 C ATOM 1143 CD LYS A 70 -4.507 -11.249 7.312 1.00 1.20 C ATOM 1144 CE LYS A 70 -5.371 -10.121 6.760 1.00 31.01 C ATOM 1145 NZ LYS A 70 -4.968 -9.729 5.379 1.00 25.42 N1+ ATOM 0 H LYS A 70 -4.500 -15.075 6.026 1.00 4.31 H new ATOM 0 HA LYS A 70 -7.406 -14.794 6.420 1.00 63.23 H new ATOM 0 HB2 LYS A 70 -6.874 -12.384 6.749 1.00 2.25 H new ATOM 0 HB3 LYS A 70 -6.133 -13.428 7.946 1.00 2.25 H new ATOM 0 HG2 LYS A 70 -3.968 -13.270 6.827 1.00 33.51 H new ATOM 0 HG3 LYS A 70 -4.675 -12.378 5.494 1.00 33.51 H new ATOM 0 HD2 LYS A 70 -4.723 -11.389 8.371 1.00 1.20 H new ATOM 0 HD3 LYS A 70 -3.455 -10.974 7.235 1.00 1.20 H new ATOM 0 HE2 LYS A 70 -6.415 -10.433 6.757 1.00 31.01 H new ATOM 0 HE3 LYS A 70 -5.299 -9.255 7.418 1.00 31.01 H new ATOM 0 HZ1 LYS A 70 -5.817 -9.608 4.791 1.00 25.42 H new ATOM 0 HZ2 LYS A 70 -4.439 -8.834 5.413 1.00 25.42 H new ATOM 0 HZ3 LYS A 70 -4.366 -10.472 4.969 1.00 25.42 H new ATOM 1159 N GLY A 71 -7.903 -13.782 4.198 1.00 3.33 N ATOM 1160 CA GLY A 71 -8.191 -13.361 2.849 1.00 73.03 C ATOM 1161 C GLY A 71 -8.872 -12.013 2.811 1.00 33.24 C ATOM 1162 O GLY A 71 -9.285 -11.486 3.849 1.00 31.43 O ATOM 0 H GLY A 71 -8.723 -13.926 4.787 1.00 3.33 H new ATOM 0 HA2 GLY A 71 -7.264 -13.315 2.278 1.00 73.03 H new ATOM 0 HA3 GLY A 71 -8.827 -14.102 2.366 1.00 73.03 H new ATOM 1166 N ARG A 72 -8.986 -11.453 1.621 1.00 2.44 N ATOM 1167 CA ARG A 72 -9.613 -10.156 1.443 1.00 1.24 C ATOM 1168 C ARG A 72 -11.091 -10.344 1.131 1.00 33.42 C ATOM 1169 O ARG A 72 -11.453 -10.824 0.056 1.00 10.44 O ATOM 1170 CB ARG A 72 -8.924 -9.384 0.314 1.00 15.22 C ATOM 1171 CG ARG A 72 -7.415 -9.277 0.488 1.00 53.04 C ATOM 1172 CD ARG A 72 -6.753 -8.617 -0.712 1.00 50.25 C ATOM 1173 NE ARG A 72 -5.295 -8.548 -0.567 1.00 32.20 N ATOM 1174 CZ ARG A 72 -4.433 -8.841 -1.544 1.00 54.44 C ATOM 1175 NH1 ARG A 72 -4.881 -9.183 -2.747 1.00 33.52 N ATOM 1176 NH2 ARG A 72 -3.120 -8.781 -1.320 1.00 21.42 N ATOM 0 H ARG A 72 -8.650 -11.880 0.758 1.00 2.44 H new ATOM 0 HA ARG A 72 -9.513 -9.580 2.363 1.00 1.24 H new ATOM 0 HB2 ARG A 72 -9.139 -9.874 -0.635 1.00 15.22 H new ATOM 0 HB3 ARG A 72 -9.348 -8.381 0.258 1.00 15.22 H new ATOM 0 HG2 ARG A 72 -7.193 -8.702 1.387 1.00 53.04 H new ATOM 0 HG3 ARG A 72 -6.994 -10.272 0.633 1.00 53.04 H new ATOM 0 HD2 ARG A 72 -7.001 -9.175 -1.615 1.00 50.25 H new ATOM 0 HD3 ARG A 72 -7.153 -7.611 -0.839 1.00 50.25 H new ATOM 0 HE ARG A 72 -4.917 -8.259 0.335 1.00 32.20 H new ATOM 0 HH11 ARG A 72 -5.885 -9.222 -2.925 1.00 33.52 H new ATOM 0 HH12 ARG A 72 -4.221 -9.407 -3.492 1.00 33.52 H new ATOM 0 HH21 ARG A 72 -2.771 -8.511 -0.400 1.00 21.42 H new ATOM 0 HH22 ARG A 72 -2.464 -9.005 -2.068 1.00 21.42 H new ATOM 1190 N ILE A 73 -11.934 -9.988 2.087 1.00 1.20 N ATOM 1191 CA ILE A 73 -13.369 -10.186 1.952 1.00 11.25 C ATOM 1192 C ILE A 73 -14.066 -8.875 1.603 1.00 13.44 C ATOM 1193 O ILE A 73 -13.662 -7.802 2.054 1.00 72.33 O ATOM 1194 CB ILE A 73 -13.981 -10.779 3.245 1.00 73.40 C ATOM 1195 CG1 ILE A 73 -15.479 -11.052 3.060 1.00 33.12 C ATOM 1196 CG2 ILE A 73 -13.747 -9.849 4.429 1.00 31.20 C ATOM 1197 CD1 ILE A 73 -16.130 -11.713 4.256 1.00 34.50 C ATOM 0 H ILE A 73 -11.649 -9.559 2.967 1.00 1.20 H new ATOM 0 HA ILE A 73 -13.525 -10.897 1.141 1.00 11.25 H new ATOM 0 HB ILE A 73 -13.484 -11.727 3.452 1.00 73.40 H new ATOM 0 HG12 ILE A 73 -15.988 -10.110 2.855 1.00 33.12 H new ATOM 0 HG13 ILE A 73 -15.618 -11.687 2.185 1.00 33.12 H new ATOM 0 HG21 ILE A 73 -14.185 -10.285 5.327 1.00 31.20 H new ATOM 0 HG22 ILE A 73 -12.676 -9.712 4.578 1.00 31.20 H new ATOM 0 HG23 ILE A 73 -14.212 -8.883 4.231 1.00 31.20 H new ATOM 0 HD11 ILE A 73 -17.188 -11.874 4.051 1.00 34.50 H new ATOM 0 HD12 ILE A 73 -15.648 -12.671 4.450 1.00 34.50 H new ATOM 0 HD13 ILE A 73 -16.023 -11.070 5.130 1.00 34.50 H new ATOM 1209 N ILE A 74 -15.093 -8.971 0.773 1.00 45.31 N ATOM 1210 CA ILE A 74 -15.894 -7.817 0.407 1.00 70.52 C ATOM 1211 C ILE A 74 -17.377 -8.203 0.328 1.00 31.14 C ATOM 1212 O ILE A 74 -18.179 -7.753 1.139 1.00 34.15 O ATOM 1213 CB ILE A 74 -15.396 -7.198 -0.931 1.00 32.54 C ATOM 1214 CG1 ILE A 74 -16.411 -6.196 -1.491 1.00 20.50 C ATOM 1215 CG2 ILE A 74 -15.079 -8.279 -1.959 1.00 35.14 C ATOM 1216 CD1 ILE A 74 -15.956 -5.521 -2.766 1.00 62.42 C ATOM 0 H ILE A 74 -15.392 -9.844 0.338 1.00 45.31 H new ATOM 0 HA ILE A 74 -15.783 -7.056 1.180 1.00 70.52 H new ATOM 0 HB ILE A 74 -14.473 -6.659 -0.717 1.00 32.54 H new ATOM 0 HG12 ILE A 74 -17.352 -6.712 -1.679 1.00 20.50 H new ATOM 0 HG13 ILE A 74 -16.610 -5.434 -0.738 1.00 20.50 H new ATOM 0 HG21 ILE A 74 -14.734 -7.813 -2.882 1.00 35.14 H new ATOM 0 HG22 ILE A 74 -14.300 -8.934 -1.570 1.00 35.14 H new ATOM 0 HG23 ILE A 74 -15.977 -8.863 -2.161 1.00 35.14 H new ATOM 0 HD11 ILE A 74 -16.725 -4.826 -3.104 1.00 62.42 H new ATOM 0 HD12 ILE A 74 -15.031 -4.976 -2.579 1.00 62.42 H new ATOM 0 HD13 ILE A 74 -15.784 -6.274 -3.535 1.00 62.42 H new ATOM 1228 N ARG A 75 -17.704 -9.063 -0.636 1.00 31.24 N ATOM 1229 CA ARG A 75 -19.041 -9.639 -0.821 1.00 12.01 C ATOM 1230 C ARG A 75 -19.019 -10.489 -2.079 1.00 31.04 C ATOM 1231 O ARG A 75 -18.014 -10.514 -2.791 1.00 21.42 O ATOM 1232 CB ARG A 75 -20.152 -8.584 -0.957 1.00 24.13 C ATOM 1233 CG ARG A 75 -20.938 -8.330 0.322 1.00 53.13 C ATOM 1234 CD ARG A 75 -22.362 -7.889 0.022 1.00 23.41 C ATOM 1235 NE ARG A 75 -23.194 -9.012 -0.413 1.00 35.41 N ATOM 1236 CZ ARG A 75 -24.197 -8.926 -1.287 1.00 41.14 C ATOM 1237 NH1 ARG A 75 -24.488 -7.767 -1.870 1.00 2.22 N ATOM 1238 NH2 ARG A 75 -24.916 -10.007 -1.562 1.00 4.42 N ATOM 0 H ARG A 75 -17.031 -9.389 -1.329 1.00 31.24 H new ATOM 0 HA ARG A 75 -19.270 -10.223 0.070 1.00 12.01 H new ATOM 0 HB2 ARG A 75 -19.707 -7.646 -1.288 1.00 24.13 H new ATOM 0 HB3 ARG A 75 -20.844 -8.901 -1.737 1.00 24.13 H new ATOM 0 HG2 ARG A 75 -20.956 -9.238 0.925 1.00 53.13 H new ATOM 0 HG3 ARG A 75 -20.436 -7.564 0.913 1.00 53.13 H new ATOM 0 HD2 ARG A 75 -22.798 -7.436 0.912 1.00 23.41 H new ATOM 0 HD3 ARG A 75 -22.350 -7.123 -0.753 1.00 23.41 H new ATOM 0 HE ARG A 75 -22.991 -9.930 -0.017 1.00 35.41 H new ATOM 0 HH11 ARG A 75 -23.942 -6.934 -1.650 1.00 2.22 H new ATOM 0 HH12 ARG A 75 -25.257 -7.711 -2.537 1.00 2.22 H new ATOM 0 HH21 ARG A 75 -24.699 -10.893 -1.106 1.00 4.42 H new ATOM 0 HH22 ARG A 75 -25.685 -9.952 -2.229 1.00 4.42 H new ATOM 1252 N ARG A 76 -20.095 -11.203 -2.353 1.00 42.23 N ATOM 1253 CA ARG A 76 -20.194 -11.925 -3.608 1.00 21.33 C ATOM 1254 C ARG A 76 -20.768 -11.000 -4.675 1.00 34.24 C ATOM 1255 O ARG A 76 -21.751 -10.300 -4.432 1.00 61.01 O ATOM 1256 CB ARG A 76 -21.073 -13.170 -3.453 1.00 10.03 C ATOM 1257 CG ARG A 76 -20.600 -14.364 -4.267 1.00 65.23 C ATOM 1258 CD ARG A 76 -20.731 -14.110 -5.755 1.00 61.33 C ATOM 1259 NE ARG A 76 -19.846 -14.963 -6.537 1.00 4.15 N ATOM 1260 CZ ARG A 76 -19.678 -14.850 -7.852 1.00 25.24 C ATOM 1261 NH1 ARG A 76 -20.390 -13.962 -8.539 1.00 23.00 N ATOM 1262 NH2 ARG A 76 -18.797 -15.624 -8.473 1.00 42.30 N ATOM 0 H ARG A 76 -20.901 -11.298 -1.735 1.00 42.23 H new ATOM 0 HA ARG A 76 -19.199 -12.254 -3.908 1.00 21.33 H new ATOM 0 HB2 ARG A 76 -21.106 -13.451 -2.400 1.00 10.03 H new ATOM 0 HB3 ARG A 76 -22.092 -12.922 -3.749 1.00 10.03 H new ATOM 0 HG2 ARG A 76 -19.560 -14.582 -4.024 1.00 65.23 H new ATOM 0 HG3 ARG A 76 -21.182 -15.245 -3.995 1.00 65.23 H new ATOM 0 HD2 ARG A 76 -21.763 -14.281 -6.062 1.00 61.33 H new ATOM 0 HD3 ARG A 76 -20.505 -13.065 -5.965 1.00 61.33 H new ATOM 0 HE ARG A 76 -19.324 -15.690 -6.047 1.00 4.15 H new ATOM 0 HH11 ARG A 76 -21.065 -13.367 -8.058 1.00 23.00 H new ATOM 0 HH12 ARG A 76 -20.261 -13.875 -9.547 1.00 23.00 H new ATOM 0 HH21 ARG A 76 -18.251 -16.303 -7.942 1.00 42.30 H new ATOM 0 HH22 ARG A 76 -18.666 -15.540 -9.481 1.00 42.30 H new ATOM 1276 N LEU A 77 -20.136 -10.977 -5.840 1.00 51.14 N ATOM 1277 CA LEU A 77 -20.628 -10.187 -6.958 1.00 33.14 C ATOM 1278 C LEU A 77 -22.003 -10.692 -7.380 1.00 4.45 C ATOM 1279 O LEU A 77 -22.268 -11.895 -7.303 1.00 54.51 O ATOM 1280 CB LEU A 77 -19.648 -10.268 -8.130 1.00 53.44 C ATOM 1281 CG LEU A 77 -19.993 -9.400 -9.343 1.00 60.55 C ATOM 1282 CD1 LEU A 77 -19.985 -7.927 -8.964 1.00 53.13 C ATOM 1283 CD2 LEU A 77 -19.019 -9.662 -10.481 1.00 55.30 C ATOM 0 H LEU A 77 -19.281 -11.497 -6.035 1.00 51.14 H new ATOM 0 HA LEU A 77 -20.714 -9.145 -6.650 1.00 33.14 H new ATOM 0 HB2 LEU A 77 -18.658 -9.984 -7.773 1.00 53.44 H new ATOM 0 HB3 LEU A 77 -19.584 -11.306 -8.455 1.00 53.44 H new ATOM 0 HG LEU A 77 -20.995 -9.664 -9.680 1.00 60.55 H new ATOM 0 HD11 LEU A 77 -20.232 -7.325 -9.838 1.00 53.13 H new ATOM 0 HD12 LEU A 77 -20.722 -7.749 -8.181 1.00 53.13 H new ATOM 0 HD13 LEU A 77 -18.995 -7.650 -8.601 1.00 53.13 H new ATOM 0 HD21 LEU A 77 -19.280 -9.036 -11.335 1.00 55.30 H new ATOM 0 HD22 LEU A 77 -18.006 -9.426 -10.154 1.00 55.30 H new ATOM 0 HD23 LEU A 77 -19.072 -10.711 -10.771 1.00 55.30 H new ATOM 1295 N LYS A 78 -22.862 -9.772 -7.821 1.00 63.02 N ATOM 1296 CA LYS A 78 -24.241 -10.097 -8.183 1.00 35.03 C ATOM 1297 C LYS A 78 -24.296 -11.323 -9.086 1.00 22.51 C ATOM 1298 O LYS A 78 -23.639 -11.376 -10.128 1.00 25.34 O ATOM 1299 CB LYS A 78 -24.934 -8.907 -8.865 1.00 15.25 C ATOM 1300 CG LYS A 78 -25.159 -7.709 -7.948 1.00 53.22 C ATOM 1301 CD LYS A 78 -23.926 -6.822 -7.848 1.00 20.14 C ATOM 1302 CE LYS A 78 -23.687 -6.045 -9.135 1.00 24.44 C ATOM 1303 NZ LYS A 78 -24.768 -5.058 -9.400 1.00 63.32 N1+ ATOM 0 H LYS A 78 -22.623 -8.787 -7.937 1.00 63.02 H new ATOM 0 HA LYS A 78 -24.775 -10.322 -7.260 1.00 35.03 H new ATOM 0 HB2 LYS A 78 -24.333 -8.591 -9.718 1.00 15.25 H new ATOM 0 HB3 LYS A 78 -25.896 -9.237 -9.257 1.00 15.25 H new ATOM 0 HG2 LYS A 78 -25.998 -7.121 -8.320 1.00 53.22 H new ATOM 0 HG3 LYS A 78 -25.433 -8.061 -6.953 1.00 53.22 H new ATOM 0 HD2 LYS A 78 -24.045 -6.125 -7.019 1.00 20.14 H new ATOM 0 HD3 LYS A 78 -23.053 -7.436 -7.626 1.00 20.14 H new ATOM 0 HE2 LYS A 78 -22.730 -5.527 -9.073 1.00 24.44 H new ATOM 0 HE3 LYS A 78 -23.619 -6.741 -9.971 1.00 24.44 H new ATOM 0 HZ1 LYS A 78 -24.435 -4.355 -10.090 1.00 63.32 H new ATOM 0 HZ2 LYS A 78 -25.601 -5.550 -9.782 1.00 63.32 H new ATOM 0 HZ3 LYS A 78 -25.025 -4.579 -8.514 1.00 63.32 H new ATOM 1317 N GLY A 79 -25.070 -12.310 -8.658 1.00 72.14 N ATOM 1318 CA GLY A 79 -25.126 -13.575 -9.358 1.00 52.13 C ATOM 1319 C GLY A 79 -25.950 -13.517 -10.624 1.00 13.13 C ATOM 1320 O GLY A 79 -26.764 -12.609 -10.814 1.00 10.13 O ATOM 0 H GLY A 79 -25.665 -12.255 -7.831 1.00 72.14 H new ATOM 0 HA2 GLY A 79 -24.113 -13.892 -9.605 1.00 52.13 H new ATOM 0 HA3 GLY A 79 -25.543 -14.332 -8.694 1.00 52.13 H new ATOM 1324 N THR A 80 -25.733 -14.492 -11.488 1.00 14.13 N ATOM 1325 CA THR A 80 -26.463 -14.597 -12.736 1.00 73.10 C ATOM 1326 C THR A 80 -27.496 -15.723 -12.643 1.00 5.20 C ATOM 1327 O THR A 80 -27.299 -16.694 -11.908 1.00 72.15 O ATOM 1328 CB THR A 80 -25.491 -14.830 -13.915 1.00 75.10 C ATOM 1329 OG1 THR A 80 -26.213 -15.041 -15.133 1.00 41.55 O ATOM 1330 CG2 THR A 80 -24.570 -16.013 -13.641 1.00 34.12 C ATOM 0 H THR A 80 -25.046 -15.232 -11.344 1.00 14.13 H new ATOM 0 HA THR A 80 -26.990 -13.660 -12.919 1.00 73.10 H new ATOM 0 HB THR A 80 -24.878 -13.935 -14.021 1.00 75.10 H new ATOM 0 HG1 THR A 80 -25.877 -15.848 -15.577 1.00 41.55 H new ATOM 0 HG21 THR A 80 -23.897 -16.154 -14.487 1.00 34.12 H new ATOM 0 HG22 THR A 80 -23.986 -15.819 -12.741 1.00 34.12 H new ATOM 0 HG23 THR A 80 -25.167 -16.914 -13.499 1.00 34.12 H new ATOM 1338 N SER A 81 -28.596 -15.589 -13.367 1.00 43.31 N ATOM 1339 CA SER A 81 -29.714 -16.507 -13.218 1.00 12.01 C ATOM 1340 C SER A 81 -29.752 -17.564 -14.324 1.00 43.23 C ATOM 1341 O SER A 81 -30.696 -18.350 -14.403 1.00 74.15 O ATOM 1342 CB SER A 81 -31.020 -15.714 -13.195 1.00 3.42 C ATOM 1343 OG SER A 81 -30.973 -14.695 -12.206 1.00 22.50 O ATOM 0 H SER A 81 -28.738 -14.856 -14.062 1.00 43.31 H new ATOM 0 HA SER A 81 -29.585 -17.041 -12.277 1.00 12.01 H new ATOM 0 HB2 SER A 81 -31.198 -15.269 -14.174 1.00 3.42 H new ATOM 0 HB3 SER A 81 -31.855 -16.385 -12.993 1.00 3.42 H new ATOM 0 HG SER A 81 -31.817 -14.198 -12.208 1.00 22.50 H new ATOM 1349 N ASP A 82 -28.731 -17.593 -15.171 1.00 33.33 N ATOM 1350 CA ASP A 82 -28.659 -18.591 -16.239 1.00 11.34 C ATOM 1351 C ASP A 82 -28.189 -19.930 -15.670 1.00 72.13 C ATOM 1352 O ASP A 82 -28.767 -20.979 -15.966 1.00 0.01 O ATOM 1353 CB ASP A 82 -27.732 -18.117 -17.372 1.00 41.41 C ATOM 1354 CG ASP A 82 -26.280 -18.005 -16.948 1.00 75.51 C ATOM 1355 OD1 ASP A 82 -26.022 -17.474 -15.851 1.00 1.42 O ATOM 1356 OD2 ASP A 82 -25.389 -18.423 -17.716 1.00 2.21 O ATOM 0 H ASP A 82 -27.945 -16.944 -15.143 1.00 33.33 H new ATOM 0 HA ASP A 82 -29.655 -18.723 -16.662 1.00 11.34 H new ATOM 0 HB2 ASP A 82 -27.807 -18.812 -18.209 1.00 41.41 H new ATOM 0 HB3 ASP A 82 -28.075 -17.147 -17.731 1.00 41.41 H new ATOM 1361 N ARG A 83 -27.146 -19.869 -14.840 1.00 11.41 N ATOM 1362 CA ARG A 83 -26.637 -21.024 -14.096 1.00 55.35 C ATOM 1363 C ARG A 83 -26.106 -22.122 -15.013 1.00 31.33 C ATOM 1364 O ARG A 83 -24.914 -22.174 -15.319 1.00 61.24 O ATOM 1365 CB ARG A 83 -27.714 -21.614 -13.178 1.00 3.35 C ATOM 1366 CG ARG A 83 -28.260 -20.646 -12.145 1.00 52.11 C ATOM 1367 CD ARG A 83 -29.268 -21.338 -11.247 1.00 1.31 C ATOM 1368 NE ARG A 83 -29.812 -20.454 -10.225 1.00 34.33 N ATOM 1369 CZ ARG A 83 -30.342 -20.890 -9.086 1.00 45.31 C ATOM 1370 NH1 ARG A 83 -30.283 -22.181 -8.775 1.00 43.20 N ATOM 1371 NH2 ARG A 83 -30.905 -20.035 -8.248 1.00 11.45 N ATOM 0 H ARG A 83 -26.626 -19.009 -14.663 1.00 11.41 H new ATOM 0 HA ARG A 83 -25.808 -20.651 -13.494 1.00 55.35 H new ATOM 0 HB2 ARG A 83 -28.539 -21.974 -13.792 1.00 3.35 H new ATOM 0 HB3 ARG A 83 -27.299 -22.480 -12.662 1.00 3.35 H new ATOM 0 HG2 ARG A 83 -27.443 -20.247 -11.544 1.00 52.11 H new ATOM 0 HG3 ARG A 83 -28.731 -19.799 -12.645 1.00 52.11 H new ATOM 0 HD2 ARG A 83 -30.084 -21.727 -11.856 1.00 1.31 H new ATOM 0 HD3 ARG A 83 -28.793 -22.193 -10.766 1.00 1.31 H new ATOM 0 HE ARG A 83 -29.785 -19.448 -10.392 1.00 34.33 H new ATOM 0 HH11 ARG A 83 -29.831 -22.838 -9.410 1.00 43.20 H new ATOM 0 HH12 ARG A 83 -30.690 -22.514 -7.901 1.00 43.20 H new ATOM 0 HH21 ARG A 83 -30.933 -19.041 -8.476 1.00 11.45 H new ATOM 0 HH22 ARG A 83 -31.311 -20.370 -7.374 1.00 11.45 H new ATOM 1385 N THR A 84 -26.998 -22.994 -15.449 1.00 43.33 N ATOM 1386 CA THR A 84 -26.609 -24.182 -16.183 1.00 42.14 C ATOM 1387 C THR A 84 -26.710 -23.964 -17.687 1.00 34.30 C ATOM 1388 O THR A 84 -25.902 -24.483 -18.456 1.00 34.34 O ATOM 1389 CB THR A 84 -27.501 -25.374 -15.792 1.00 75.51 C ATOM 1390 OG1 THR A 84 -27.826 -25.305 -14.394 1.00 2.22 O ATOM 1391 CG2 THR A 84 -26.804 -26.690 -16.089 1.00 13.32 C ATOM 0 H THR A 84 -28.003 -22.899 -15.305 1.00 43.33 H new ATOM 0 HA THR A 84 -25.572 -24.396 -15.925 1.00 42.14 H new ATOM 0 HB THR A 84 -28.416 -25.324 -16.382 1.00 75.51 H new ATOM 0 HG1 THR A 84 -28.395 -26.065 -14.153 1.00 2.22 H new ATOM 0 HG21 THR A 84 -27.453 -27.518 -15.804 1.00 13.32 H new ATOM 0 HG22 THR A 84 -26.583 -26.752 -17.154 1.00 13.32 H new ATOM 0 HG23 THR A 84 -25.875 -26.746 -15.522 1.00 13.32 H new ATOM 1399 N ILE A 85 -27.695 -23.183 -18.101 1.00 52.32 N ATOM 1400 CA ILE A 85 -27.974 -23.005 -19.517 1.00 1.02 C ATOM 1401 C ILE A 85 -27.689 -21.580 -19.957 1.00 63.05 C ATOM 1402 O ILE A 85 -27.609 -20.674 -19.134 1.00 3.00 O ATOM 1403 CB ILE A 85 -29.443 -23.342 -19.852 1.00 71.02 C ATOM 1404 CG1 ILE A 85 -30.399 -22.493 -18.999 1.00 20.50 C ATOM 1405 CG2 ILE A 85 -29.704 -24.827 -19.645 1.00 53.54 C ATOM 1406 CD1 ILE A 85 -31.861 -22.688 -19.342 1.00 30.24 C ATOM 0 H ILE A 85 -28.313 -22.663 -17.478 1.00 52.32 H new ATOM 0 HA ILE A 85 -27.318 -23.691 -20.053 1.00 1.02 H new ATOM 0 HB ILE A 85 -29.625 -23.105 -20.900 1.00 71.02 H new ATOM 0 HG12 ILE A 85 -30.246 -22.737 -17.948 1.00 20.50 H new ATOM 0 HG13 ILE A 85 -30.144 -21.441 -19.123 1.00 20.50 H new ATOM 0 HG21 ILE A 85 -30.744 -25.051 -19.885 1.00 53.54 H new ATOM 0 HG22 ILE A 85 -29.049 -25.406 -20.296 1.00 53.54 H new ATOM 0 HG23 ILE A 85 -29.507 -25.090 -18.606 1.00 53.54 H new ATOM 0 HD11 ILE A 85 -32.473 -22.056 -18.698 1.00 30.24 H new ATOM 0 HD12 ILE A 85 -32.030 -22.416 -20.384 1.00 30.24 H new ATOM 0 HD13 ILE A 85 -32.134 -23.732 -19.191 1.00 30.24 H new ATOM 1418 N SER A 86 -27.525 -21.395 -21.257 1.00 32.43 N ATOM 1419 CA SER A 86 -27.352 -20.067 -21.822 1.00 13.01 C ATOM 1420 C SER A 86 -28.690 -19.332 -21.821 1.00 41.11 C ATOM 1421 O SER A 86 -28.813 -18.233 -21.275 1.00 12.11 O ATOM 1422 CB SER A 86 -26.805 -20.183 -23.243 1.00 34.04 C ATOM 1423 OG SER A 86 -25.676 -21.042 -23.278 1.00 12.34 O ATOM 0 H SER A 86 -27.508 -22.150 -21.942 1.00 32.43 H new ATOM 0 HA SER A 86 -26.642 -19.501 -21.219 1.00 13.01 H new ATOM 0 HB2 SER A 86 -27.580 -20.566 -23.906 1.00 34.04 H new ATOM 0 HB3 SER A 86 -26.529 -19.196 -23.613 1.00 34.04 H new ATOM 0 HG SER A 86 -25.341 -21.105 -24.197 1.00 12.34 H new ATOM 1429 N LYS A 87 -29.686 -19.951 -22.442 1.00 23.11 N ATOM 1430 CA LYS A 87 -31.040 -19.448 -22.445 1.00 40.13 C ATOM 1431 C LYS A 87 -31.965 -20.542 -22.955 1.00 55.33 C ATOM 1432 O LYS A 87 -32.890 -20.934 -22.219 1.00 32.23 O ATOM 1433 CB LYS A 87 -31.151 -18.178 -23.302 1.00 63.33 C ATOM 1434 CG LYS A 87 -32.579 -17.715 -23.519 1.00 14.13 C ATOM 1435 CD LYS A 87 -33.137 -18.254 -24.823 1.00 13.20 C ATOM 1436 CE LYS A 87 -34.642 -18.395 -24.769 1.00 23.33 C ATOM 1437 NZ LYS A 87 -35.072 -19.509 -23.883 1.00 74.40 N1+ ATOM 1438 OXT LYS A 87 -31.735 -21.034 -24.078 1.00 0.00 O ATOM 0 H LYS A 87 -29.569 -20.822 -22.959 1.00 23.11 H new ATOM 0 HA LYS A 87 -31.332 -19.174 -21.431 1.00 40.13 H new ATOM 0 HB2 LYS A 87 -30.587 -17.377 -22.824 1.00 63.33 H new ATOM 0 HB3 LYS A 87 -30.686 -18.362 -24.271 1.00 63.33 H new ATOM 0 HG2 LYS A 87 -33.202 -18.047 -22.689 1.00 14.13 H new ATOM 0 HG3 LYS A 87 -32.614 -16.626 -23.528 1.00 14.13 H new ATOM 0 HD2 LYS A 87 -32.863 -17.587 -25.640 1.00 13.20 H new ATOM 0 HD3 LYS A 87 -32.688 -19.223 -25.039 1.00 13.20 H new ATOM 0 HE2 LYS A 87 -35.080 -17.462 -24.415 1.00 23.33 H new ATOM 0 HE3 LYS A 87 -35.025 -18.565 -25.775 1.00 23.33 H new ATOM 0 HZ1 LYS A 87 -35.930 -19.230 -23.366 1.00 74.40 H new ATOM 0 HZ2 LYS A 87 -35.273 -20.352 -24.458 1.00 74.40 H new ATOM 0 HZ3 LYS A 87 -34.314 -19.725 -23.204 1.00 74.40 H new TER 1452 LYS A 87