USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 678 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 29 SER OG : rot -59:sc= 0.927! USER MOD Set 1.2: A 30 HIS : no HE2:sc= -4.69! C(o=-3.8!,f=-15!) USER MOD Set 2.1: A 28 TYR OH : rot 130:sc= -2.2! USER MOD Set 2.2: A 54 LYS NZ :NH3+ -170:sc= 0.431! (180deg=0.822) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.0854 K(o=0.085,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0.334) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= 1.28 (180deg=0.177) USER MOD Single : A 24 MET CE :methyl -176:sc= -0.0332 (180deg=-0.0589) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0.449! (180deg=0.387!) USER MOD Single : A 33 GLN :FLIP amide:sc= -3.83! C(o=-4.7!,f=-3.8!) USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.765 USER MOD Single : A 40 ASN : amide:sc= 0.182 K(o=0.18,f=-2.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.465) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 1.06 (180deg=0.774) USER MOD Single : A 59 ASN : amide:sc= -0.443 K(o=-0.44,f=-4.9!) USER MOD Single : A 62 LYS NZ :NH3+ -136:sc= -0.498 (180deg=-5.75!) USER MOD Single : A 64 THR OG1 : rot 83:sc=0.000417 USER MOD Single : A 65 SER OG : rot 180:sc= -0.316 USER MOD Single : A 66 LYS NZ :NH3+ -105:sc= 1.25 (180deg=-0.503) USER MOD Single : A 70 MET CE :methyl -131:sc= -0.542 (180deg=-1.56!) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= 0.904 (180deg=0.114) USER MOD Single : A 73 TYR OH : rot 80:sc= -1.33 USER MOD Single : A 76 LYS NZ :NH3+ -117:sc= 0.0387 (180deg=-3.6!) USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= 0.977 (180deg=-1.75!) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -0.043 (180deg=-0.521) USER MOD Single : A 83 LYS NZ :NH3+ -129:sc= 2.13 (180deg=-0.798) USER MOD Single : A 84 TYR OH : rot 169:sc= 0.577 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 4.048 5.169 -1.832 1.00 2.51 N ATOM 32 CA ALA A 3 4.705 4.983 -0.490 1.00 2.10 C ATOM 33 C ALA A 3 5.471 3.632 -0.298 1.00 1.46 C ATOM 34 O ALA A 3 6.630 3.645 0.061 1.00 1.46 O ATOM 35 CB ALA A 3 3.595 5.159 0.566 1.00 1.75 C ATOM 0 HA ALA A 3 5.496 5.726 -0.390 1.00 2.10 H new ATOM 0 HB1 ALA A 3 4.018 5.034 1.563 1.00 1.75 H new ATOM 0 HB2 ALA A 3 3.163 6.156 0.478 1.00 1.75 H new ATOM 0 HB3 ALA A 3 2.818 4.412 0.405 1.00 1.75 H new ATOM 41 N GLU A 4 4.852 2.499 -0.546 1.00 1.06 N ATOM 42 CA GLU A 4 5.548 1.195 -0.364 1.00 0.57 C ATOM 43 C GLU A 4 6.841 1.028 -1.131 1.00 0.44 C ATOM 44 O GLU A 4 7.846 0.568 -0.617 1.00 0.09 O ATOM 45 CB GLU A 4 4.517 0.106 -0.712 1.00 0.74 C ATOM 46 CG GLU A 4 3.684 -0.244 0.567 1.00 0.55 C ATOM 47 CD GLU A 4 2.798 -1.502 0.431 1.00 0.60 C ATOM 48 OE1 GLU A 4 2.833 -2.161 -0.597 1.00 0.65 O ATOM 49 OE2 GLU A 4 2.125 -1.719 1.426 1.00 0.61 O ATOM 0 H GLU A 4 3.887 2.428 -0.869 1.00 1.06 H new ATOM 0 HA GLU A 4 5.889 1.125 0.669 1.00 0.57 H new ATOM 0 HB2 GLU A 4 3.857 0.454 -1.506 1.00 0.74 H new ATOM 0 HB3 GLU A 4 5.023 -0.784 -1.086 1.00 0.74 H new ATOM 0 HG2 GLU A 4 4.369 -0.386 1.403 1.00 0.55 H new ATOM 0 HG3 GLU A 4 3.049 0.607 0.816 1.00 0.55 H new ATOM 56 N PHE A 5 6.729 1.436 -2.344 1.00 0.76 N ATOM 57 CA PHE A 5 7.843 1.392 -3.318 1.00 0.75 C ATOM 58 C PHE A 5 8.882 2.500 -3.012 1.00 0.75 C ATOM 59 O PHE A 5 10.070 2.284 -3.082 1.00 0.53 O ATOM 60 CB PHE A 5 7.156 1.565 -4.600 1.00 1.04 C ATOM 61 CG PHE A 5 8.214 1.776 -5.688 1.00 0.78 C ATOM 62 CD1 PHE A 5 8.833 0.702 -6.296 1.00 0.48 C ATOM 63 CD2 PHE A 5 8.575 3.053 -6.046 1.00 1.14 C ATOM 64 CE1 PHE A 5 9.803 0.908 -7.252 1.00 0.26 C ATOM 65 CE2 PHE A 5 9.549 3.260 -7.007 1.00 1.02 C ATOM 66 CZ PHE A 5 10.165 2.184 -7.610 1.00 0.44 C ATOM 0 H PHE A 5 5.865 1.820 -2.726 1.00 0.76 H new ATOM 0 HA PHE A 5 8.429 0.473 -3.297 1.00 0.75 H new ATOM 0 HB2 PHE A 5 6.548 0.689 -4.826 1.00 1.04 H new ATOM 0 HB3 PHE A 5 6.480 2.419 -4.557 1.00 1.04 H new ATOM 0 HD1 PHE A 5 8.555 -0.305 -6.021 1.00 0.48 H new ATOM 0 HD2 PHE A 5 8.096 3.899 -5.575 1.00 1.14 H new ATOM 0 HE1 PHE A 5 10.282 0.062 -7.723 1.00 0.26 H new ATOM 0 HE2 PHE A 5 9.827 4.266 -7.285 1.00 1.02 H new ATOM 0 HZ PHE A 5 10.927 2.343 -8.359 1.00 0.44 H new ATOM 76 N ASP A 6 8.398 3.668 -2.700 1.00 1.20 N ATOM 77 CA ASP A 6 9.229 4.853 -2.361 1.00 1.47 C ATOM 78 C ASP A 6 10.046 4.555 -1.119 1.00 1.36 C ATOM 79 O ASP A 6 11.220 4.816 -1.004 1.00 1.51 O ATOM 80 CB ASP A 6 8.219 5.965 -2.189 1.00 1.83 C ATOM 81 CG ASP A 6 7.629 6.376 -3.520 1.00 2.32 C ATOM 82 OD1 ASP A 6 8.187 6.098 -4.577 1.00 2.23 O ATOM 83 OD2 ASP A 6 6.583 6.995 -3.456 1.00 3.35 O ATOM 0 H ASP A 6 7.396 3.857 -2.665 1.00 1.20 H new ATOM 0 HA ASP A 6 9.966 5.129 -3.115 1.00 1.47 H new ATOM 0 HB2 ASP A 6 7.423 5.637 -1.521 1.00 1.83 H new ATOM 0 HB3 ASP A 6 8.696 6.824 -1.718 1.00 1.83 H new ATOM 88 N LYS A 7 9.330 3.973 -0.209 1.00 1.19 N ATOM 89 CA LYS A 7 9.890 3.563 1.108 1.00 1.32 C ATOM 90 C LYS A 7 11.018 2.616 0.734 1.00 1.03 C ATOM 91 O LYS A 7 12.112 2.737 1.245 1.00 1.17 O ATOM 92 CB LYS A 7 8.781 2.840 1.952 1.00 1.40 C ATOM 93 CG LYS A 7 9.434 2.085 3.175 1.00 2.12 C ATOM 94 CD LYS A 7 8.395 1.644 4.281 1.00 2.59 C ATOM 95 CE LYS A 7 7.304 0.671 3.770 1.00 4.20 C ATOM 96 NZ LYS A 7 6.465 0.180 4.937 1.00 5.22 N ATOM 0 H LYS A 7 8.340 3.755 -0.325 1.00 1.19 H new ATOM 0 HA LYS A 7 10.240 4.395 1.719 1.00 1.32 H new ATOM 0 HB2 LYS A 7 8.054 3.568 2.311 1.00 1.40 H new ATOM 0 HB3 LYS A 7 8.240 2.132 1.325 1.00 1.40 H new ATOM 0 HG2 LYS A 7 9.956 1.202 2.808 1.00 2.12 H new ATOM 0 HG3 LYS A 7 10.183 2.732 3.631 1.00 2.12 H new ATOM 0 HD2 LYS A 7 8.933 1.171 5.102 1.00 2.59 H new ATOM 0 HD3 LYS A 7 7.913 2.533 4.687 1.00 2.59 H new ATOM 0 HE2 LYS A 7 6.669 1.173 3.040 1.00 4.20 H new ATOM 0 HE3 LYS A 7 7.767 -0.175 3.262 1.00 4.20 H new ATOM 0 HZ1 LYS A 7 5.734 -0.473 4.589 1.00 5.22 H new ATOM 0 HZ2 LYS A 7 7.075 -0.315 5.619 1.00 5.22 H new ATOM 0 HZ3 LYS A 7 6.011 0.991 5.404 1.00 5.22 H new ATOM 110 N ALA A 8 10.717 1.712 -0.174 1.00 0.63 N ATOM 111 CA ALA A 8 11.781 0.753 -0.583 1.00 0.55 C ATOM 112 C ALA A 8 12.898 1.663 -1.165 1.00 0.36 C ATOM 113 O ALA A 8 14.026 1.543 -0.740 1.00 0.34 O ATOM 114 CB ALA A 8 11.124 -0.215 -1.587 1.00 0.45 C ATOM 0 H ALA A 8 9.812 1.603 -0.632 1.00 0.63 H new ATOM 0 HA ALA A 8 12.218 0.129 0.196 1.00 0.55 H new ATOM 0 HB1 ALA A 8 11.860 -0.945 -1.924 1.00 0.45 H new ATOM 0 HB2 ALA A 8 10.295 -0.732 -1.104 1.00 0.45 H new ATOM 0 HB3 ALA A 8 10.752 0.347 -2.444 1.00 0.45 H new ATOM 120 N ALA A 9 12.613 2.538 -2.103 1.00 0.30 N ATOM 121 CA ALA A 9 13.691 3.431 -2.646 1.00 0.25 C ATOM 122 C ALA A 9 14.508 4.111 -1.516 1.00 0.28 C ATOM 123 O ALA A 9 15.715 3.994 -1.536 1.00 0.26 O ATOM 124 CB ALA A 9 13.020 4.489 -3.551 1.00 0.41 C ATOM 0 H ALA A 9 11.689 2.672 -2.513 1.00 0.30 H new ATOM 0 HA ALA A 9 14.400 2.832 -3.218 1.00 0.25 H new ATOM 0 HB1 ALA A 9 13.781 5.153 -3.960 1.00 0.41 H new ATOM 0 HB2 ALA A 9 12.497 3.991 -4.367 1.00 0.41 H new ATOM 0 HB3 ALA A 9 12.308 5.070 -2.965 1.00 0.41 H new ATOM 130 N GLU A 10 13.868 4.772 -0.579 1.00 0.42 N ATOM 131 CA GLU A 10 14.561 5.462 0.553 1.00 0.55 C ATOM 132 C GLU A 10 15.472 4.436 1.185 1.00 0.53 C ATOM 133 O GLU A 10 16.686 4.539 1.180 1.00 0.57 O ATOM 134 CB GLU A 10 13.487 5.964 1.587 1.00 0.65 C ATOM 135 CG GLU A 10 12.568 7.075 0.989 1.00 0.69 C ATOM 136 CD GLU A 10 11.390 7.475 1.916 1.00 0.75 C ATOM 137 OE1 GLU A 10 10.718 6.604 2.455 1.00 0.80 O ATOM 138 OE2 GLU A 10 11.225 8.682 2.023 1.00 1.04 O ATOM 0 H GLU A 10 12.852 4.863 -0.555 1.00 0.42 H new ATOM 0 HA GLU A 10 15.133 6.327 0.217 1.00 0.55 H new ATOM 0 HB2 GLU A 10 12.874 5.122 1.909 1.00 0.65 H new ATOM 0 HB3 GLU A 10 13.991 6.350 2.473 1.00 0.65 H new ATOM 0 HG2 GLU A 10 13.170 7.959 0.780 1.00 0.69 H new ATOM 0 HG3 GLU A 10 12.168 6.729 0.036 1.00 0.69 H new ATOM 145 N GLU A 11 14.818 3.441 1.697 1.00 0.51 N ATOM 146 CA GLU A 11 15.518 2.327 2.378 1.00 0.54 C ATOM 147 C GLU A 11 16.709 1.761 1.602 1.00 0.52 C ATOM 148 O GLU A 11 17.783 1.600 2.146 1.00 0.74 O ATOM 149 CB GLU A 11 14.461 1.279 2.625 1.00 0.56 C ATOM 150 CG GLU A 11 13.575 1.707 3.838 1.00 1.01 C ATOM 151 CD GLU A 11 13.596 0.645 4.962 1.00 1.61 C ATOM 152 OE1 GLU A 11 13.460 -0.510 4.592 1.00 3.68 O ATOM 153 OE2 GLU A 11 13.733 0.925 6.142 1.00 0.82 O ATOM 0 H GLU A 11 13.802 3.351 1.672 1.00 0.51 H new ATOM 0 HA GLU A 11 15.972 2.686 3.302 1.00 0.54 H new ATOM 0 HB2 GLU A 11 13.843 1.154 1.736 1.00 0.56 H new ATOM 0 HB3 GLU A 11 14.929 0.315 2.825 1.00 0.56 H new ATOM 0 HG2 GLU A 11 13.930 2.660 4.230 1.00 1.01 H new ATOM 0 HG3 GLU A 11 12.549 1.863 3.503 1.00 1.01 H new ATOM 160 N VAL A 12 16.515 1.477 0.342 1.00 0.29 N ATOM 161 CA VAL A 12 17.591 0.911 -0.530 1.00 0.23 C ATOM 162 C VAL A 12 18.664 1.948 -0.811 1.00 0.26 C ATOM 163 O VAL A 12 19.833 1.657 -0.704 1.00 0.33 O ATOM 164 CB VAL A 12 16.911 0.408 -1.842 1.00 0.14 C ATOM 165 CG1 VAL A 12 17.121 1.347 -3.059 1.00 0.20 C ATOM 166 CG2 VAL A 12 17.442 -0.947 -2.247 1.00 0.20 C ATOM 0 H VAL A 12 15.625 1.618 -0.136 1.00 0.29 H new ATOM 0 HA VAL A 12 18.094 0.081 -0.033 1.00 0.23 H new ATOM 0 HB VAL A 12 15.849 0.373 -1.598 1.00 0.14 H new ATOM 0 HG11 VAL A 12 16.619 0.929 -3.932 1.00 0.20 H new ATOM 0 HG12 VAL A 12 16.705 2.330 -2.837 1.00 0.20 H new ATOM 0 HG13 VAL A 12 18.187 1.443 -3.265 1.00 0.20 H new ATOM 0 HG21 VAL A 12 16.950 -1.271 -3.164 1.00 0.20 H new ATOM 0 HG22 VAL A 12 18.517 -0.881 -2.416 1.00 0.20 H new ATOM 0 HG23 VAL A 12 17.243 -1.668 -1.454 1.00 0.20 H new ATOM 176 N LYS A 13 18.290 3.148 -1.170 1.00 0.24 N ATOM 177 CA LYS A 13 19.290 4.221 -1.458 1.00 0.29 C ATOM 178 C LYS A 13 20.249 4.379 -0.273 1.00 0.41 C ATOM 179 O LYS A 13 21.314 4.937 -0.426 1.00 0.59 O ATOM 180 CB LYS A 13 18.541 5.554 -1.757 1.00 0.20 C ATOM 181 CG LYS A 13 18.789 5.937 -3.249 1.00 0.98 C ATOM 182 CD LYS A 13 18.293 7.370 -3.610 1.00 0.93 C ATOM 183 CE LYS A 13 19.087 8.436 -2.826 1.00 1.22 C ATOM 184 NZ LYS A 13 19.111 9.695 -3.626 1.00 1.21 N ATOM 0 H LYS A 13 17.317 3.435 -1.278 1.00 0.24 H new ATOM 0 HA LYS A 13 19.882 3.949 -2.332 1.00 0.29 H new ATOM 0 HB2 LYS A 13 17.474 5.440 -1.568 1.00 0.20 H new ATOM 0 HB3 LYS A 13 18.899 6.345 -1.098 1.00 0.20 H new ATOM 0 HG2 LYS A 13 19.855 5.865 -3.463 1.00 0.98 H new ATOM 0 HG3 LYS A 13 18.286 5.214 -3.891 1.00 0.98 H new ATOM 0 HD2 LYS A 13 18.406 7.540 -4.681 1.00 0.93 H new ATOM 0 HD3 LYS A 13 17.231 7.461 -3.383 1.00 0.93 H new ATOM 0 HE2 LYS A 13 18.625 8.614 -1.855 1.00 1.22 H new ATOM 0 HE3 LYS A 13 20.103 8.088 -2.637 1.00 1.22 H new ATOM 0 HZ1 LYS A 13 19.643 10.424 -3.110 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 19.569 9.515 -4.542 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 18.137 10.024 -3.784 1.00 1.21 H new ATOM 198 N HIS A 14 19.801 3.903 0.857 1.00 0.31 N ATOM 199 CA HIS A 14 20.617 3.956 2.100 1.00 0.40 C ATOM 200 C HIS A 14 21.411 2.651 2.385 1.00 0.42 C ATOM 201 O HIS A 14 22.015 2.582 3.431 1.00 0.39 O ATOM 202 CB HIS A 14 19.684 4.237 3.292 1.00 0.43 C ATOM 203 CG HIS A 14 19.077 5.628 3.254 1.00 0.34 C ATOM 204 ND1 HIS A 14 17.850 5.892 2.965 1.00 0.35 N ATOM 205 CD2 HIS A 14 19.650 6.858 3.504 1.00 0.48 C ATOM 206 CE1 HIS A 14 17.660 7.176 3.026 1.00 0.34 C ATOM 207 NE2 HIS A 14 18.754 7.814 3.358 1.00 0.33 N ATOM 0 H HIS A 14 18.884 3.471 0.971 1.00 0.31 H new ATOM 0 HA HIS A 14 21.353 4.748 1.960 1.00 0.40 H new ATOM 0 HB2 HIS A 14 18.884 3.497 3.302 1.00 0.43 H new ATOM 0 HB3 HIS A 14 20.242 4.115 4.220 1.00 0.43 H new ATOM 0 HD1 HIS A 14 17.139 5.201 2.726 1.00 0.35 H new ATOM 0 HD2 HIS A 14 20.682 7.015 3.779 1.00 0.48 H new ATOM 0 HE1 HIS A 14 16.714 7.658 2.827 1.00 0.34 H new ATOM 215 N LEU A 15 21.399 1.666 1.511 1.00 0.43 N ATOM 216 CA LEU A 15 22.138 0.352 1.673 1.00 0.52 C ATOM 217 C LEU A 15 23.674 0.294 1.948 1.00 0.64 C ATOM 218 O LEU A 15 24.395 -0.448 1.309 1.00 1.45 O ATOM 219 CB LEU A 15 21.815 -0.506 0.402 1.00 0.63 C ATOM 220 CG LEU A 15 20.527 -1.322 0.574 1.00 0.77 C ATOM 221 CD1 LEU A 15 20.245 -2.034 -0.753 1.00 0.91 C ATOM 222 CD2 LEU A 15 20.727 -2.457 1.591 1.00 0.90 C ATOM 0 H LEU A 15 20.875 1.720 0.637 1.00 0.43 H new ATOM 0 HA LEU A 15 21.764 -0.012 2.630 1.00 0.52 H new ATOM 0 HB2 LEU A 15 21.716 0.150 -0.463 1.00 0.63 H new ATOM 0 HB3 LEU A 15 22.647 -1.180 0.198 1.00 0.63 H new ATOM 0 HG LEU A 15 19.735 -0.645 0.893 1.00 0.77 H new ATOM 0 HD11 LEU A 15 19.333 -2.624 -0.663 1.00 0.91 H new ATOM 0 HD12 LEU A 15 20.122 -1.294 -1.544 1.00 0.91 H new ATOM 0 HD13 LEU A 15 21.080 -2.691 -0.998 1.00 0.91 H new ATOM 0 HD21 LEU A 15 19.800 -3.020 1.695 1.00 0.90 H new ATOM 0 HD22 LEU A 15 21.518 -3.121 1.244 1.00 0.90 H new ATOM 0 HD23 LEU A 15 21.005 -2.035 2.557 1.00 0.90 H new ATOM 234 N LYS A 16 24.104 1.092 2.890 1.00 0.48 N ATOM 235 CA LYS A 16 25.512 1.252 3.394 1.00 0.25 C ATOM 236 C LYS A 16 26.548 0.200 3.034 1.00 0.22 C ATOM 237 O LYS A 16 27.707 0.490 2.819 1.00 0.37 O ATOM 238 CB LYS A 16 25.429 1.393 4.946 1.00 0.37 C ATOM 239 CG LYS A 16 24.702 0.185 5.644 1.00 2.58 C ATOM 240 CD LYS A 16 24.965 0.370 7.175 1.00 2.37 C ATOM 241 CE LYS A 16 24.410 -0.743 8.103 1.00 2.54 C ATOM 242 NZ LYS A 16 22.953 -0.520 8.357 1.00 2.50 N ATOM 0 H LYS A 16 23.459 1.708 3.385 1.00 0.48 H new ATOM 0 HA LYS A 16 25.893 2.129 2.871 1.00 0.25 H new ATOM 0 HB2 LYS A 16 26.437 1.483 5.350 1.00 0.37 H new ATOM 0 HB3 LYS A 16 24.903 2.316 5.192 1.00 0.37 H new ATOM 0 HG2 LYS A 16 23.634 0.190 5.425 1.00 2.58 H new ATOM 0 HG3 LYS A 16 25.096 -0.768 5.290 1.00 2.58 H new ATOM 0 HD2 LYS A 16 26.041 0.442 7.332 1.00 2.37 H new ATOM 0 HD3 LYS A 16 24.533 1.322 7.485 1.00 2.37 H new ATOM 0 HE2 LYS A 16 24.562 -1.720 7.644 1.00 2.54 H new ATOM 0 HE3 LYS A 16 24.955 -0.746 9.047 1.00 2.54 H new ATOM 0 HZ1 LYS A 16 22.483 -1.435 8.511 1.00 2.50 H new ATOM 0 HZ2 LYS A 16 22.835 0.076 9.201 1.00 2.50 H new ATOM 0 HZ3 LYS A 16 22.526 -0.046 7.536 1.00 2.50 H new ATOM 256 N THR A 17 26.102 -1.001 2.949 1.00 0.72 N ATOM 257 CA THR A 17 26.998 -2.140 2.607 1.00 1.04 C ATOM 258 C THR A 17 26.801 -2.476 1.108 1.00 1.03 C ATOM 259 O THR A 17 26.527 -3.582 0.700 1.00 0.93 O ATOM 260 CB THR A 17 26.641 -3.322 3.541 1.00 1.13 C ATOM 261 OG1 THR A 17 27.062 -2.855 4.823 1.00 1.20 O ATOM 262 CG2 THR A 17 27.589 -4.493 3.317 1.00 1.40 C ATOM 0 H THR A 17 25.128 -1.261 3.105 1.00 0.72 H new ATOM 0 HA THR A 17 28.052 -1.903 2.755 1.00 1.04 H new ATOM 0 HB THR A 17 25.599 -3.614 3.407 1.00 1.13 H new ATOM 0 HG1 THR A 17 26.876 -3.540 5.498 1.00 1.20 H new ATOM 0 HG21 THR A 17 27.319 -5.312 3.984 1.00 1.40 H new ATOM 0 HG22 THR A 17 27.515 -4.828 2.282 1.00 1.40 H new ATOM 0 HG23 THR A 17 28.612 -4.178 3.524 1.00 1.40 H new ATOM 270 N LYS A 18 26.968 -1.393 0.393 1.00 1.15 N ATOM 271 CA LYS A 18 26.886 -1.272 -1.097 1.00 1.09 C ATOM 272 C LYS A 18 26.949 -2.667 -1.809 1.00 0.84 C ATOM 273 O LYS A 18 28.011 -3.102 -2.208 1.00 0.93 O ATOM 274 CB LYS A 18 28.067 -0.317 -1.458 1.00 1.51 C ATOM 275 CG LYS A 18 29.415 -0.853 -0.882 1.00 1.49 C ATOM 276 CD LYS A 18 30.468 0.293 -0.794 1.00 3.04 C ATOM 277 CE LYS A 18 30.719 0.702 0.677 1.00 4.48 C ATOM 278 NZ LYS A 18 29.612 1.569 1.214 1.00 4.88 N ATOM 0 H LYS A 18 27.180 -0.498 0.834 1.00 1.15 H new ATOM 0 HA LYS A 18 25.934 -0.870 -1.443 1.00 1.09 H new ATOM 0 HB2 LYS A 18 28.143 -0.220 -2.541 1.00 1.51 H new ATOM 0 HB3 LYS A 18 27.868 0.679 -1.062 1.00 1.51 H new ATOM 0 HG2 LYS A 18 29.250 -1.279 0.107 1.00 1.49 H new ATOM 0 HG3 LYS A 18 29.794 -1.655 -1.515 1.00 1.49 H new ATOM 0 HD2 LYS A 18 31.403 -0.032 -1.250 1.00 3.04 H new ATOM 0 HD3 LYS A 18 30.120 1.156 -1.361 1.00 3.04 H new ATOM 0 HE2 LYS A 18 30.810 -0.193 1.292 1.00 4.48 H new ATOM 0 HE3 LYS A 18 31.666 1.236 0.749 1.00 4.48 H new ATOM 0 HZ1 LYS A 18 30.019 2.424 1.645 1.00 4.88 H new ATOM 0 HZ2 LYS A 18 28.977 1.842 0.437 1.00 4.88 H new ATOM 0 HZ3 LYS A 18 29.075 1.041 1.931 1.00 4.88 H new ATOM 292 N PRO A 19 25.806 -3.320 -1.927 1.00 0.61 N ATOM 293 CA PRO A 19 25.662 -4.668 -2.571 1.00 0.40 C ATOM 294 C PRO A 19 26.401 -4.995 -3.881 1.00 0.61 C ATOM 295 O PRO A 19 27.007 -4.161 -4.521 1.00 0.98 O ATOM 296 CB PRO A 19 24.137 -4.830 -2.700 1.00 0.24 C ATOM 297 CG PRO A 19 23.628 -4.077 -1.468 1.00 0.20 C ATOM 298 CD PRO A 19 24.492 -2.813 -1.438 1.00 0.59 C ATOM 0 HA PRO A 19 26.179 -5.391 -1.941 1.00 0.40 H new ATOM 0 HB2 PRO A 19 23.758 -4.398 -3.627 1.00 0.24 H new ATOM 0 HB3 PRO A 19 23.836 -5.878 -2.690 1.00 0.24 H new ATOM 0 HG2 PRO A 19 22.568 -3.837 -1.554 1.00 0.20 H new ATOM 0 HG3 PRO A 19 23.748 -4.667 -0.559 1.00 0.20 H new ATOM 0 HD2 PRO A 19 24.092 -2.031 -2.083 1.00 0.59 H new ATOM 0 HD3 PRO A 19 24.565 -2.393 -0.435 1.00 0.59 H new ATOM 306 N ALA A 20 26.296 -6.251 -4.255 1.00 0.46 N ATOM 307 CA ALA A 20 26.964 -6.731 -5.519 1.00 0.80 C ATOM 308 C ALA A 20 26.154 -6.420 -6.808 1.00 0.47 C ATOM 309 O ALA A 20 24.937 -6.383 -6.800 1.00 0.30 O ATOM 310 CB ALA A 20 27.173 -8.248 -5.389 1.00 1.23 C ATOM 0 H ALA A 20 25.779 -6.966 -3.743 1.00 0.46 H new ATOM 0 HA ALA A 20 27.908 -6.197 -5.625 1.00 0.80 H new ATOM 0 HB1 ALA A 20 27.656 -8.627 -6.290 1.00 1.23 H new ATOM 0 HB2 ALA A 20 27.804 -8.456 -4.525 1.00 1.23 H new ATOM 0 HB3 ALA A 20 26.208 -8.739 -5.260 1.00 1.23 H new ATOM 316 N ASP A 21 26.846 -6.216 -7.894 1.00 0.45 N ATOM 317 CA ASP A 21 26.199 -5.903 -9.194 1.00 0.25 C ATOM 318 C ASP A 21 24.887 -6.634 -9.435 1.00 0.24 C ATOM 319 O ASP A 21 23.874 -5.984 -9.467 1.00 0.19 O ATOM 320 CB ASP A 21 27.224 -6.231 -10.292 1.00 0.22 C ATOM 321 CG ASP A 21 28.520 -5.436 -10.123 1.00 0.41 C ATOM 322 OD1 ASP A 21 29.176 -5.656 -9.116 1.00 1.81 O ATOM 323 OD2 ASP A 21 28.785 -4.656 -11.020 1.00 2.61 O ATOM 0 H ASP A 21 27.865 -6.255 -7.932 1.00 0.45 H new ATOM 0 HA ASP A 21 25.920 -4.849 -9.197 1.00 0.25 H new ATOM 0 HB2 ASP A 21 27.448 -7.298 -10.272 1.00 0.22 H new ATOM 0 HB3 ASP A 21 26.791 -6.015 -11.269 1.00 0.22 H new ATOM 328 N GLU A 22 24.896 -7.925 -9.591 1.00 0.35 N ATOM 329 CA GLU A 22 23.604 -8.661 -9.832 1.00 0.37 C ATOM 330 C GLU A 22 22.444 -8.178 -8.924 1.00 0.24 C ATOM 331 O GLU A 22 21.411 -7.711 -9.382 1.00 0.82 O ATOM 332 CB GLU A 22 23.854 -10.187 -9.597 1.00 0.57 C ATOM 333 CG GLU A 22 24.705 -10.824 -10.744 1.00 1.00 C ATOM 334 CD GLU A 22 25.166 -12.249 -10.380 1.00 1.25 C ATOM 335 OE1 GLU A 22 24.288 -13.088 -10.286 1.00 1.57 O ATOM 336 OE2 GLU A 22 26.367 -12.412 -10.222 1.00 1.21 O ATOM 0 H GLU A 22 25.731 -8.510 -9.564 1.00 0.35 H new ATOM 0 HA GLU A 22 23.296 -8.460 -10.858 1.00 0.37 H new ATOM 0 HB2 GLU A 22 24.365 -10.328 -8.645 1.00 0.57 H new ATOM 0 HB3 GLU A 22 22.897 -10.704 -9.525 1.00 0.57 H new ATOM 0 HG2 GLU A 22 24.117 -10.854 -11.661 1.00 1.00 H new ATOM 0 HG3 GLU A 22 25.575 -10.199 -10.943 1.00 1.00 H new ATOM 343 N GLU A 23 22.645 -8.283 -7.631 1.00 0.57 N ATOM 344 CA GLU A 23 21.562 -7.833 -6.712 1.00 0.73 C ATOM 345 C GLU A 23 21.306 -6.322 -6.867 1.00 0.83 C ATOM 346 O GLU A 23 20.178 -5.897 -6.674 1.00 1.17 O ATOM 347 CB GLU A 23 21.949 -8.206 -5.228 1.00 1.01 C ATOM 348 CG GLU A 23 21.636 -9.705 -4.942 1.00 1.06 C ATOM 349 CD GLU A 23 21.498 -9.951 -3.438 1.00 1.16 C ATOM 350 OE1 GLU A 23 22.483 -9.707 -2.752 1.00 1.01 O ATOM 351 OE2 GLU A 23 20.392 -10.358 -3.093 1.00 1.31 O ATOM 0 H GLU A 23 23.487 -8.650 -7.187 1.00 0.57 H new ATOM 0 HA GLU A 23 20.633 -8.343 -6.969 1.00 0.73 H new ATOM 0 HB2 GLU A 23 23.009 -8.012 -5.063 1.00 1.01 H new ATOM 0 HB3 GLU A 23 21.397 -7.574 -4.532 1.00 1.01 H new ATOM 0 HG2 GLU A 23 20.715 -9.992 -5.449 1.00 1.06 H new ATOM 0 HG3 GLU A 23 22.431 -10.331 -5.347 1.00 1.06 H new ATOM 358 N MET A 24 22.320 -5.561 -7.213 1.00 0.66 N ATOM 359 CA MET A 24 22.182 -4.073 -7.401 1.00 0.78 C ATOM 360 C MET A 24 21.250 -3.928 -8.623 1.00 0.79 C ATOM 361 O MET A 24 20.222 -3.294 -8.604 1.00 1.05 O ATOM 362 CB MET A 24 23.623 -3.535 -7.641 1.00 0.57 C ATOM 363 CG MET A 24 24.431 -3.553 -6.326 1.00 0.54 C ATOM 364 SD MET A 24 23.989 -2.312 -5.097 1.00 0.75 S ATOM 365 CE MET A 24 24.925 -0.984 -5.894 1.00 0.57 C ATOM 0 H MET A 24 23.262 -5.916 -7.378 1.00 0.66 H new ATOM 0 HA MET A 24 21.761 -3.515 -6.565 1.00 0.78 H new ATOM 0 HB2 MET A 24 24.125 -4.145 -8.392 1.00 0.57 H new ATOM 0 HB3 MET A 24 23.578 -2.519 -8.034 1.00 0.57 H new ATOM 0 HG2 MET A 24 24.322 -4.538 -5.872 1.00 0.54 H new ATOM 0 HG3 MET A 24 25.486 -3.430 -6.571 1.00 0.54 H new ATOM 0 HE1 MET A 24 24.877 -0.085 -5.279 1.00 0.57 H new ATOM 0 HE2 MET A 24 25.965 -1.290 -6.009 1.00 0.57 H new ATOM 0 HE3 MET A 24 24.497 -0.775 -6.875 1.00 0.57 H new ATOM 375 N LEU A 25 21.686 -4.527 -9.687 1.00 0.52 N ATOM 376 CA LEU A 25 21.034 -4.604 -11.011 1.00 0.62 C ATOM 377 C LEU A 25 19.554 -4.880 -10.904 1.00 0.61 C ATOM 378 O LEU A 25 18.744 -4.214 -11.524 1.00 0.82 O ATOM 379 CB LEU A 25 21.788 -5.692 -11.757 1.00 0.51 C ATOM 380 CG LEU A 25 23.080 -5.195 -12.401 1.00 0.89 C ATOM 381 CD1 LEU A 25 23.492 -6.292 -13.359 1.00 1.11 C ATOM 382 CD2 LEU A 25 22.837 -3.885 -13.215 1.00 1.35 C ATOM 0 H LEU A 25 22.577 -5.023 -9.679 1.00 0.52 H new ATOM 0 HA LEU A 25 21.082 -3.655 -11.544 1.00 0.62 H new ATOM 0 HB2 LEU A 25 22.022 -6.502 -11.066 1.00 0.51 H new ATOM 0 HB3 LEU A 25 21.142 -6.109 -12.529 1.00 0.51 H new ATOM 0 HG LEU A 25 23.834 -4.977 -11.644 1.00 0.89 H new ATOM 0 HD11 LEU A 25 24.416 -6.008 -13.862 1.00 1.11 H new ATOM 0 HD12 LEU A 25 23.650 -7.218 -12.806 1.00 1.11 H new ATOM 0 HD13 LEU A 25 22.707 -6.442 -14.100 1.00 1.11 H new ATOM 0 HD21 LEU A 25 23.775 -3.555 -13.662 1.00 1.35 H new ATOM 0 HD22 LEU A 25 22.107 -4.076 -14.002 1.00 1.35 H new ATOM 0 HD23 LEU A 25 22.459 -3.108 -12.550 1.00 1.35 H new ATOM 394 N PHE A 26 19.249 -5.867 -10.096 1.00 0.48 N ATOM 395 CA PHE A 26 17.816 -6.222 -9.905 1.00 0.52 C ATOM 396 C PHE A 26 17.169 -4.905 -9.445 1.00 0.38 C ATOM 397 O PHE A 26 16.271 -4.415 -10.085 1.00 0.40 O ATOM 398 CB PHE A 26 17.727 -7.299 -8.836 1.00 0.52 C ATOM 399 CG PHE A 26 16.274 -7.786 -8.679 1.00 0.64 C ATOM 400 CD1 PHE A 26 15.280 -6.910 -8.294 1.00 2.25 C ATOM 401 CD2 PHE A 26 15.930 -9.106 -8.919 1.00 2.56 C ATOM 402 CE1 PHE A 26 13.985 -7.337 -8.153 1.00 2.19 C ATOM 403 CE2 PHE A 26 14.618 -9.535 -8.774 1.00 2.68 C ATOM 404 CZ PHE A 26 13.641 -8.644 -8.389 1.00 0.89 C ATOM 0 H PHE A 26 19.919 -6.430 -9.572 1.00 0.48 H new ATOM 0 HA PHE A 26 17.324 -6.615 -10.795 1.00 0.52 H new ATOM 0 HB2 PHE A 26 18.371 -8.137 -9.102 1.00 0.52 H new ATOM 0 HB3 PHE A 26 18.090 -6.907 -7.886 1.00 0.52 H new ATOM 0 HD1 PHE A 26 15.525 -5.876 -8.101 1.00 2.25 H new ATOM 0 HD2 PHE A 26 16.691 -9.809 -9.222 1.00 2.56 H new ATOM 0 HE1 PHE A 26 13.223 -6.633 -7.851 1.00 2.19 H new ATOM 0 HE2 PHE A 26 14.363 -10.567 -8.963 1.00 2.68 H new ATOM 0 HZ PHE A 26 12.618 -8.970 -8.274 1.00 0.89 H new ATOM 414 N ILE A 27 17.623 -4.352 -8.349 1.00 0.27 N ATOM 415 CA ILE A 27 17.025 -3.055 -7.870 1.00 0.19 C ATOM 416 C ILE A 27 17.060 -1.982 -8.974 1.00 0.28 C ATOM 417 O ILE A 27 16.057 -1.375 -9.270 1.00 0.60 O ATOM 418 CB ILE A 27 17.815 -2.644 -6.609 1.00 0.16 C ATOM 419 CG1 ILE A 27 17.224 -3.390 -5.397 1.00 0.18 C ATOM 420 CG2 ILE A 27 17.848 -1.136 -6.341 1.00 0.19 C ATOM 421 CD1 ILE A 27 15.739 -3.053 -5.112 1.00 0.24 C ATOM 0 H ILE A 27 18.371 -4.731 -7.768 1.00 0.27 H new ATOM 0 HA ILE A 27 15.970 -3.171 -7.623 1.00 0.19 H new ATOM 0 HB ILE A 27 18.855 -2.922 -6.781 1.00 0.16 H new ATOM 0 HG12 ILE A 27 17.317 -4.463 -5.563 1.00 0.18 H new ATOM 0 HG13 ILE A 27 17.816 -3.152 -4.513 1.00 0.18 H new ATOM 0 HG21 ILE A 27 18.424 -0.940 -5.437 1.00 0.19 H new ATOM 0 HG22 ILE A 27 18.313 -0.627 -7.185 1.00 0.19 H new ATOM 0 HG23 ILE A 27 16.831 -0.767 -6.210 1.00 0.19 H new ATOM 0 HD11 ILE A 27 15.398 -3.618 -4.245 1.00 0.24 H new ATOM 0 HD12 ILE A 27 15.640 -1.986 -4.912 1.00 0.24 H new ATOM 0 HD13 ILE A 27 15.133 -3.317 -5.979 1.00 0.24 H new ATOM 433 N TYR A 28 18.192 -1.746 -9.569 1.00 0.16 N ATOM 434 CA TYR A 28 18.303 -0.724 -10.665 1.00 0.14 C ATOM 435 C TYR A 28 17.163 -0.922 -11.715 1.00 0.11 C ATOM 436 O TYR A 28 16.381 -0.027 -11.977 1.00 0.24 O ATOM 437 CB TYR A 28 19.682 -0.916 -11.274 1.00 0.17 C ATOM 438 CG TYR A 28 20.069 0.209 -12.222 1.00 0.26 C ATOM 439 CD1 TYR A 28 19.717 0.153 -13.545 1.00 0.23 C ATOM 440 CD2 TYR A 28 20.792 1.286 -11.770 1.00 0.37 C ATOM 441 CE1 TYR A 28 20.091 1.162 -14.395 1.00 0.32 C ATOM 442 CE2 TYR A 28 21.165 2.292 -12.634 1.00 0.45 C ATOM 443 CZ TYR A 28 20.811 2.223 -13.963 1.00 0.41 C ATOM 444 OH TYR A 28 21.173 3.165 -14.899 1.00 0.48 O ATOM 0 H TYR A 28 19.066 -2.222 -9.344 1.00 0.16 H new ATOM 0 HA TYR A 28 18.190 0.293 -10.291 1.00 0.14 H new ATOM 0 HB2 TYR A 28 20.421 -0.983 -10.475 1.00 0.17 H new ATOM 0 HB3 TYR A 28 19.708 -1.864 -11.812 1.00 0.17 H new ATOM 0 HD1 TYR A 28 19.146 -0.684 -13.918 1.00 0.23 H new ATOM 0 HD2 TYR A 28 21.070 1.345 -10.728 1.00 0.37 H new ATOM 0 HE1 TYR A 28 19.804 1.108 -15.435 1.00 0.32 H new ATOM 0 HE2 TYR A 28 21.735 3.134 -12.269 1.00 0.45 H new ATOM 0 HH TYR A 28 20.934 4.058 -14.574 1.00 0.48 H new ATOM 454 N SER A 29 17.128 -2.114 -12.251 1.00 0.20 N ATOM 455 CA SER A 29 16.098 -2.498 -13.284 1.00 0.21 C ATOM 456 C SER A 29 14.705 -2.387 -12.705 1.00 0.22 C ATOM 457 O SER A 29 13.857 -1.736 -13.259 1.00 0.24 O ATOM 458 CB SER A 29 16.277 -3.953 -13.740 1.00 0.23 C ATOM 459 OG SER A 29 16.131 -4.668 -12.511 1.00 0.41 O ATOM 0 H SER A 29 17.782 -2.860 -12.015 1.00 0.20 H new ATOM 0 HA SER A 29 16.231 -1.820 -14.127 1.00 0.21 H new ATOM 0 HB2 SER A 29 15.527 -4.246 -14.474 1.00 0.23 H new ATOM 0 HB3 SER A 29 17.252 -4.121 -14.197 1.00 0.23 H new ATOM 0 HG SER A 29 16.815 -4.370 -11.876 1.00 0.41 H new ATOM 465 N HIS A 30 14.474 -3.031 -11.603 1.00 0.22 N ATOM 466 CA HIS A 30 13.136 -2.981 -10.963 1.00 0.16 C ATOM 467 C HIS A 30 12.720 -1.555 -10.714 1.00 0.18 C ATOM 468 O HIS A 30 11.610 -1.196 -11.022 1.00 0.25 O ATOM 469 CB HIS A 30 13.278 -3.829 -9.740 1.00 0.14 C ATOM 470 CG HIS A 30 13.211 -5.229 -10.337 1.00 0.36 C ATOM 471 ND1 HIS A 30 14.110 -5.806 -11.069 1.00 2.43 N ATOM 472 CD2 HIS A 30 12.193 -6.140 -10.244 1.00 1.85 C ATOM 473 CE1 HIS A 30 13.683 -6.984 -11.405 1.00 1.94 C ATOM 474 NE2 HIS A 30 12.494 -7.233 -10.913 1.00 0.94 N ATOM 0 H HIS A 30 15.164 -3.598 -11.111 1.00 0.22 H new ATOM 0 HA HIS A 30 12.328 -3.369 -11.583 1.00 0.16 H new ATOM 0 HB2 HIS A 30 14.220 -3.648 -9.222 1.00 0.14 H new ATOM 0 HB3 HIS A 30 12.479 -3.650 -9.021 1.00 0.14 H new ATOM 0 HD1 HIS A 30 15.007 -5.401 -11.337 1.00 2.43 H new ATOM 0 HD2 HIS A 30 11.274 -5.984 -9.699 1.00 1.85 H new ATOM 0 HE1 HIS A 30 14.241 -7.677 -12.017 1.00 1.94 H new ATOM 482 N TYR A 31 13.580 -0.767 -10.155 1.00 0.20 N ATOM 483 CA TYR A 31 13.288 0.668 -9.885 1.00 0.27 C ATOM 484 C TYR A 31 12.960 1.383 -11.222 1.00 0.37 C ATOM 485 O TYR A 31 11.890 1.952 -11.375 1.00 0.47 O ATOM 486 CB TYR A 31 14.525 1.215 -9.222 1.00 0.33 C ATOM 487 CG TYR A 31 14.254 2.643 -8.824 1.00 0.42 C ATOM 488 CD1 TYR A 31 13.405 2.964 -7.786 1.00 0.34 C ATOM 489 CD2 TYR A 31 14.865 3.625 -9.541 1.00 0.68 C ATOM 490 CE1 TYR A 31 13.176 4.289 -7.480 1.00 0.46 C ATOM 491 CE2 TYR A 31 14.643 4.941 -9.244 1.00 0.81 C ATOM 492 CZ TYR A 31 13.797 5.275 -8.213 1.00 0.68 C ATOM 493 OH TYR A 31 13.581 6.596 -7.922 1.00 0.86 O ATOM 0 H TYR A 31 14.510 -1.065 -9.861 1.00 0.20 H new ATOM 0 HA TYR A 31 12.424 0.818 -9.238 1.00 0.27 H new ATOM 0 HB2 TYR A 31 14.782 0.619 -8.347 1.00 0.33 H new ATOM 0 HB3 TYR A 31 15.375 1.165 -9.903 1.00 0.33 H new ATOM 0 HD1 TYR A 31 12.923 2.183 -7.217 1.00 0.34 H new ATOM 0 HD2 TYR A 31 15.530 3.363 -10.351 1.00 0.68 H new ATOM 0 HE1 TYR A 31 12.513 4.552 -6.669 1.00 0.46 H new ATOM 0 HE2 TYR A 31 15.131 5.716 -9.817 1.00 0.81 H new ATOM 0 HH TYR A 31 14.099 7.156 -8.537 1.00 0.86 H new ATOM 503 N LYS A 32 13.881 1.373 -12.168 1.00 0.35 N ATOM 504 CA LYS A 32 13.572 2.041 -13.467 1.00 0.46 C ATOM 505 C LYS A 32 12.252 1.456 -13.992 1.00 0.52 C ATOM 506 O LYS A 32 11.404 2.184 -14.449 1.00 0.80 O ATOM 507 CB LYS A 32 14.743 1.787 -14.445 1.00 0.48 C ATOM 508 CG LYS A 32 15.452 3.158 -14.682 1.00 0.51 C ATOM 509 CD LYS A 32 16.936 3.252 -14.276 1.00 1.61 C ATOM 510 CE LYS A 32 17.100 3.269 -12.786 1.00 0.43 C ATOM 511 NZ LYS A 32 18.558 3.361 -12.482 1.00 0.82 N ATOM 0 H LYS A 32 14.803 0.943 -12.095 1.00 0.35 H new ATOM 0 HA LYS A 32 13.458 3.119 -13.354 1.00 0.46 H new ATOM 0 HB2 LYS A 32 15.441 1.060 -14.029 1.00 0.48 H new ATOM 0 HB3 LYS A 32 14.377 1.376 -15.386 1.00 0.48 H new ATOM 0 HG2 LYS A 32 15.373 3.403 -15.741 1.00 0.51 H new ATOM 0 HG3 LYS A 32 14.901 3.924 -14.136 1.00 0.51 H new ATOM 0 HD2 LYS A 32 17.482 2.406 -14.693 1.00 1.61 H new ATOM 0 HD3 LYS A 32 17.374 4.155 -14.701 1.00 1.61 H new ATOM 0 HE2 LYS A 32 16.567 4.116 -12.354 1.00 0.43 H new ATOM 0 HE3 LYS A 32 16.675 2.367 -12.346 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 18.694 3.443 -11.454 1.00 0.82 H new ATOM 0 HZ2 LYS A 32 19.039 2.507 -12.828 1.00 0.82 H new ATOM 0 HZ3 LYS A 32 18.958 4.198 -12.952 1.00 0.82 H new ATOM 525 N GLN A 33 12.098 0.164 -13.934 1.00 0.37 N ATOM 526 CA GLN A 33 10.833 -0.492 -14.400 1.00 0.49 C ATOM 527 C GLN A 33 9.646 0.175 -13.677 1.00 0.42 C ATOM 528 O GLN A 33 8.870 0.917 -14.240 1.00 0.46 O ATOM 529 CB GLN A 33 10.904 -1.976 -14.027 1.00 0.51 C ATOM 530 CG GLN A 33 11.566 -2.797 -15.099 1.00 1.43 C ATOM 531 CD GLN A 33 10.652 -2.826 -16.299 1.00 2.07 C ATOM 532 OE1 GLN A 33 9.392 -3.099 -16.124 1.00 3.94 O flip ATOM 533 NE2 GLN A 33 11.070 -2.601 -17.407 1.00 1.88 N flip ATOM 0 H GLN A 33 12.804 -0.481 -13.578 1.00 0.37 H new ATOM 0 HA GLN A 33 10.706 -0.388 -15.478 1.00 0.49 H new ATOM 0 HB2 GLN A 33 11.454 -2.089 -13.093 1.00 0.51 H new ATOM 0 HB3 GLN A 33 9.897 -2.354 -13.851 1.00 0.51 H new ATOM 0 HG2 GLN A 33 12.531 -2.367 -15.366 1.00 1.43 H new ATOM 0 HG3 GLN A 33 11.756 -3.809 -14.741 1.00 1.43 H new ATOM 0 HE21 GLN A 33 12.058 -2.387 -17.546 1.00 1.88 H new ATOM 0 HE22 GLN A 33 10.436 -2.625 -18.206 1.00 1.88 H new ATOM 542 N ALA A 34 9.584 -0.138 -12.413 1.00 0.36 N ATOM 543 CA ALA A 34 8.560 0.349 -11.461 1.00 0.33 C ATOM 544 C ALA A 34 8.263 1.860 -11.589 1.00 0.39 C ATOM 545 O ALA A 34 7.166 2.290 -11.286 1.00 0.43 O ATOM 546 CB ALA A 34 9.088 -0.021 -10.068 1.00 0.22 C ATOM 0 H ALA A 34 10.261 -0.763 -11.976 1.00 0.36 H new ATOM 0 HA ALA A 34 7.597 -0.117 -11.669 1.00 0.33 H new ATOM 0 HB1 ALA A 34 8.378 0.310 -9.310 1.00 0.22 H new ATOM 0 HB2 ALA A 34 9.212 -1.102 -10.001 1.00 0.22 H new ATOM 0 HB3 ALA A 34 10.049 0.465 -9.902 1.00 0.22 H new ATOM 552 N THR A 35 9.206 2.651 -12.039 1.00 0.39 N ATOM 553 CA THR A 35 8.941 4.142 -12.159 1.00 0.44 C ATOM 554 C THR A 35 8.776 4.625 -13.598 1.00 0.48 C ATOM 555 O THR A 35 7.860 5.380 -13.861 1.00 0.42 O ATOM 556 CB THR A 35 10.084 4.946 -11.545 1.00 0.42 C ATOM 557 OG1 THR A 35 11.198 4.511 -12.292 1.00 0.40 O ATOM 558 CG2 THR A 35 10.404 4.503 -10.135 1.00 0.35 C ATOM 0 H THR A 35 10.136 2.348 -12.327 1.00 0.39 H new ATOM 0 HA THR A 35 8.003 4.301 -11.628 1.00 0.44 H new ATOM 0 HB THR A 35 9.846 6.010 -11.545 1.00 0.42 H new ATOM 0 HG1 THR A 35 11.543 3.677 -11.910 1.00 0.40 H new ATOM 0 HG21 THR A 35 11.223 5.105 -9.742 1.00 0.35 H new ATOM 0 HG22 THR A 35 9.524 4.632 -9.505 1.00 0.35 H new ATOM 0 HG23 THR A 35 10.695 3.453 -10.141 1.00 0.35 H new ATOM 566 N VAL A 36 9.627 4.196 -14.482 1.00 0.57 N ATOM 567 CA VAL A 36 9.555 4.608 -15.921 1.00 0.60 C ATOM 568 C VAL A 36 8.664 3.613 -16.688 1.00 0.59 C ATOM 569 O VAL A 36 7.727 4.001 -17.362 1.00 0.58 O ATOM 570 CB VAL A 36 11.025 4.629 -16.532 1.00 0.74 C ATOM 571 CG1 VAL A 36 10.942 5.030 -18.023 1.00 0.79 C ATOM 572 CG2 VAL A 36 11.889 5.682 -15.807 1.00 0.75 C ATOM 0 H VAL A 36 10.394 3.559 -14.267 1.00 0.57 H new ATOM 0 HA VAL A 36 9.123 5.605 -16.007 1.00 0.60 H new ATOM 0 HB VAL A 36 11.469 3.641 -16.414 1.00 0.74 H new ATOM 0 HG11 VAL A 36 11.944 5.047 -18.451 1.00 0.79 H new ATOM 0 HG12 VAL A 36 10.330 4.306 -18.561 1.00 0.79 H new ATOM 0 HG13 VAL A 36 10.493 6.020 -18.109 1.00 0.79 H new ATOM 0 HG21 VAL A 36 12.892 5.686 -16.234 1.00 0.75 H new ATOM 0 HG22 VAL A 36 11.439 6.667 -15.927 1.00 0.75 H new ATOM 0 HG23 VAL A 36 11.947 5.437 -14.746 1.00 0.75 H new ATOM 582 N GLY A 37 9.005 2.361 -16.545 1.00 0.57 N ATOM 583 CA GLY A 37 8.284 1.205 -17.204 1.00 0.55 C ATOM 584 C GLY A 37 9.220 0.626 -18.272 1.00 0.59 C ATOM 585 O GLY A 37 10.276 0.118 -17.952 1.00 0.31 O ATOM 0 H GLY A 37 9.794 2.067 -15.970 1.00 0.57 H new ATOM 0 HA2 GLY A 37 8.026 0.444 -16.467 1.00 0.55 H new ATOM 0 HA3 GLY A 37 7.350 1.542 -17.654 1.00 0.55 H new ATOM 589 N ASP A 38 8.804 0.717 -19.501 1.00 0.97 N ATOM 590 CA ASP A 38 9.634 0.204 -20.622 1.00 1.12 C ATOM 591 C ASP A 38 10.840 1.144 -20.808 1.00 1.07 C ATOM 592 O ASP A 38 10.824 2.273 -20.355 1.00 1.41 O ATOM 593 CB ASP A 38 8.706 0.167 -21.849 1.00 1.86 C ATOM 594 CG ASP A 38 7.687 -0.950 -21.702 1.00 2.48 C ATOM 595 OD1 ASP A 38 7.051 -1.040 -20.670 1.00 1.99 O ATOM 596 OD2 ASP A 38 7.606 -1.691 -22.657 1.00 3.56 O ATOM 0 H ASP A 38 7.914 1.130 -19.780 1.00 0.97 H new ATOM 0 HA ASP A 38 10.039 -0.793 -20.447 1.00 1.12 H new ATOM 0 HB2 ASP A 38 8.195 1.124 -21.957 1.00 1.86 H new ATOM 0 HB3 ASP A 38 9.294 0.016 -22.754 1.00 1.86 H new ATOM 601 N ILE A 39 11.857 0.677 -21.477 1.00 1.28 N ATOM 602 CA ILE A 39 13.059 1.559 -21.681 1.00 1.28 C ATOM 603 C ILE A 39 12.989 2.264 -23.065 1.00 2.10 C ATOM 604 O ILE A 39 12.675 1.650 -24.068 1.00 2.57 O ATOM 605 CB ILE A 39 14.277 0.602 -21.507 1.00 0.86 C ATOM 606 CG1 ILE A 39 15.606 1.383 -21.397 1.00 0.77 C ATOM 607 CG2 ILE A 39 14.373 -0.339 -22.727 1.00 1.25 C ATOM 608 CD1 ILE A 39 16.695 0.402 -20.861 1.00 0.29 C ATOM 0 H ILE A 39 11.917 -0.255 -21.887 1.00 1.28 H new ATOM 0 HA ILE A 39 13.128 2.383 -20.971 1.00 1.28 H new ATOM 0 HB ILE A 39 14.121 0.038 -20.587 1.00 0.86 H new ATOM 0 HG12 ILE A 39 15.896 1.781 -22.369 1.00 0.77 H new ATOM 0 HG13 ILE A 39 15.494 2.234 -20.725 1.00 0.77 H new ATOM 0 HG21 ILE A 39 15.225 -1.008 -22.605 1.00 1.25 H new ATOM 0 HG22 ILE A 39 13.459 -0.927 -22.806 1.00 1.25 H new ATOM 0 HG23 ILE A 39 14.503 0.252 -23.633 1.00 1.25 H new ATOM 0 HD11 ILE A 39 17.646 0.927 -20.773 1.00 0.29 H new ATOM 0 HD12 ILE A 39 16.396 0.026 -19.883 1.00 0.29 H new ATOM 0 HD13 ILE A 39 16.804 -0.433 -21.553 1.00 0.29 H new ATOM 620 N ASN A 40 13.272 3.545 -23.109 1.00 2.49 N ATOM 621 CA ASN A 40 13.231 4.310 -24.414 1.00 3.44 C ATOM 622 C ASN A 40 14.578 5.011 -24.734 1.00 3.78 C ATOM 623 O ASN A 40 14.660 5.971 -25.479 1.00 4.74 O ATOM 624 CB ASN A 40 12.070 5.337 -24.299 1.00 3.87 C ATOM 625 CG ASN A 40 12.026 5.928 -22.894 1.00 3.78 C ATOM 626 OD1 ASN A 40 13.029 6.126 -22.244 1.00 3.56 O ATOM 627 ND2 ASN A 40 10.890 6.232 -22.360 1.00 4.07 N ATOM 0 H ASN A 40 13.532 4.103 -22.296 1.00 2.49 H new ATOM 0 HA ASN A 40 13.063 3.622 -25.242 1.00 3.44 H new ATOM 0 HB2 ASN A 40 12.205 6.133 -25.032 1.00 3.87 H new ATOM 0 HB3 ASN A 40 11.121 4.851 -24.527 1.00 3.87 H new ATOM 0 HD21 ASN A 40 10.858 6.625 -21.420 1.00 4.07 H new ATOM 0 HD22 ASN A 40 10.025 6.079 -22.879 1.00 4.07 H new ATOM 634 N THR A 41 15.596 4.468 -24.126 1.00 3.00 N ATOM 635 CA THR A 41 17.010 4.965 -24.281 1.00 3.20 C ATOM 636 C THR A 41 17.826 3.911 -25.061 1.00 3.13 C ATOM 637 O THR A 41 17.331 2.818 -25.264 1.00 2.94 O ATOM 638 CB THR A 41 17.625 5.177 -22.868 1.00 3.00 C ATOM 639 OG1 THR A 41 17.695 3.871 -22.314 1.00 2.72 O ATOM 640 CG2 THR A 41 16.633 5.845 -21.886 1.00 2.96 C ATOM 0 H THR A 41 15.510 3.667 -23.501 1.00 3.00 H new ATOM 0 HA THR A 41 17.026 5.909 -24.826 1.00 3.20 H new ATOM 0 HB THR A 41 18.542 5.757 -22.976 1.00 3.00 H new ATOM 0 HG1 THR A 41 18.078 3.918 -21.413 1.00 2.72 H new ATOM 0 HG21 THR A 41 17.111 5.970 -20.915 1.00 2.96 H new ATOM 0 HG22 THR A 41 16.338 6.820 -22.274 1.00 2.96 H new ATOM 0 HG23 THR A 41 15.750 5.216 -21.777 1.00 2.96 H new ATOM 648 N GLU A 42 19.030 4.228 -25.472 1.00 3.47 N ATOM 649 CA GLU A 42 19.832 3.213 -26.234 1.00 3.55 C ATOM 650 C GLU A 42 20.956 2.656 -25.345 1.00 2.89 C ATOM 651 O GLU A 42 21.334 3.246 -24.350 1.00 2.68 O ATOM 652 CB GLU A 42 20.409 3.906 -27.495 1.00 4.55 C ATOM 653 CG GLU A 42 21.693 4.742 -27.162 1.00 4.89 C ATOM 654 CD GLU A 42 22.130 5.560 -28.375 1.00 5.77 C ATOM 655 OE1 GLU A 42 21.388 6.481 -28.663 1.00 6.21 O ATOM 656 OE2 GLU A 42 23.158 5.217 -28.928 1.00 6.20 O ATOM 0 H GLU A 42 19.487 5.127 -25.318 1.00 3.47 H new ATOM 0 HA GLU A 42 19.204 2.374 -26.534 1.00 3.55 H new ATOM 0 HB2 GLU A 42 20.650 3.153 -28.246 1.00 4.55 H new ATOM 0 HB3 GLU A 42 19.652 4.559 -27.930 1.00 4.55 H new ATOM 0 HG2 GLU A 42 21.493 5.406 -26.321 1.00 4.89 H new ATOM 0 HG3 GLU A 42 22.499 4.075 -26.857 1.00 4.89 H new ATOM 663 N ARG A 43 21.450 1.512 -25.712 1.00 2.82 N ATOM 664 CA ARG A 43 22.540 0.897 -24.915 1.00 2.06 C ATOM 665 C ARG A 43 23.871 1.728 -24.802 1.00 2.00 C ATOM 666 O ARG A 43 24.296 2.360 -25.749 1.00 2.10 O ATOM 667 CB ARG A 43 22.706 -0.468 -25.572 1.00 1.77 C ATOM 668 CG ARG A 43 23.472 -1.422 -24.670 1.00 1.17 C ATOM 669 CD ARG A 43 23.170 -2.809 -25.180 1.00 1.54 C ATOM 670 NE ARG A 43 23.899 -3.749 -24.292 1.00 1.46 N ATOM 671 CZ ARG A 43 24.620 -4.674 -24.772 1.00 1.21 C ATOM 672 NH1 ARG A 43 25.638 -4.370 -25.470 1.00 2.79 N ATOM 673 NH2 ARG A 43 24.238 -5.851 -24.502 1.00 2.20 N ATOM 0 H ARG A 43 21.148 0.977 -26.526 1.00 2.82 H new ATOM 0 HA ARG A 43 22.280 0.842 -23.858 1.00 2.06 H new ATOM 0 HB2 ARG A 43 21.726 -0.887 -25.800 1.00 1.77 H new ATOM 0 HB3 ARG A 43 23.233 -0.357 -26.520 1.00 1.77 H new ATOM 0 HG2 ARG A 43 24.542 -1.218 -24.705 1.00 1.17 H new ATOM 0 HG3 ARG A 43 23.160 -1.312 -23.631 1.00 1.17 H new ATOM 0 HD2 ARG A 43 22.098 -3.006 -25.158 1.00 1.54 H new ATOM 0 HD3 ARG A 43 23.494 -2.922 -26.215 1.00 1.54 H new ATOM 0 HE ARG A 43 23.818 -3.649 -23.280 1.00 1.46 H new ATOM 0 HH11 ARG A 43 25.867 -3.390 -25.638 1.00 2.79 H new ATOM 0 HH12 ARG A 43 26.226 -5.106 -25.862 1.00 2.79 H new ATOM 0 HH21 ARG A 43 23.403 -5.999 -23.935 1.00 2.20 H new ATOM 0 HH22 ARG A 43 24.765 -6.651 -24.852 1.00 2.20 H new ATOM 687 N PRO A 44 24.494 1.692 -23.634 1.00 2.06 N ATOM 688 CA PRO A 44 25.778 2.426 -23.348 1.00 2.00 C ATOM 689 C PRO A 44 26.933 2.283 -24.351 1.00 2.27 C ATOM 690 O PRO A 44 27.507 3.249 -24.812 1.00 3.30 O ATOM 691 CB PRO A 44 26.113 1.953 -21.882 1.00 2.05 C ATOM 692 CG PRO A 44 24.674 1.768 -21.341 1.00 2.50 C ATOM 693 CD PRO A 44 24.020 0.960 -22.421 1.00 2.46 C ATOM 0 HA PRO A 44 25.641 3.502 -23.455 1.00 2.00 H new ATOM 0 HB2 PRO A 44 26.691 1.029 -21.861 1.00 2.05 H new ATOM 0 HB3 PRO A 44 26.680 2.696 -21.321 1.00 2.05 H new ATOM 0 HG2 PRO A 44 24.665 1.247 -20.383 1.00 2.50 H new ATOM 0 HG3 PRO A 44 24.172 2.724 -21.189 1.00 2.50 H new ATOM 0 HD2 PRO A 44 24.343 -0.081 -22.413 1.00 2.46 H new ATOM 0 HD3 PRO A 44 22.933 0.958 -22.337 1.00 2.46 H new ATOM 701 N GLY A 45 27.257 1.073 -24.661 1.00 3.18 N ATOM 702 CA GLY A 45 28.371 0.796 -25.640 1.00 3.31 C ATOM 703 C GLY A 45 29.792 0.900 -25.067 1.00 3.33 C ATOM 704 O GLY A 45 30.434 -0.111 -24.883 1.00 3.11 O ATOM 0 H GLY A 45 26.803 0.241 -24.283 1.00 3.18 H new ATOM 0 HA2 GLY A 45 28.234 -0.206 -26.047 1.00 3.31 H new ATOM 0 HA3 GLY A 45 28.281 1.493 -26.473 1.00 3.31 H new ATOM 708 N MET A 46 30.238 2.109 -24.812 1.00 3.71 N ATOM 709 CA MET A 46 31.628 2.356 -24.245 1.00 3.78 C ATOM 710 C MET A 46 32.138 1.317 -23.208 1.00 3.52 C ATOM 711 O MET A 46 33.015 0.521 -23.471 1.00 3.76 O ATOM 712 CB MET A 46 31.644 3.796 -23.616 1.00 4.09 C ATOM 713 CG MET A 46 31.842 4.856 -24.721 1.00 4.17 C ATOM 714 SD MET A 46 32.259 6.535 -24.182 1.00 2.36 S ATOM 715 CE MET A 46 30.600 7.242 -24.041 1.00 3.45 C ATOM 0 H MET A 46 29.695 2.958 -24.972 1.00 3.71 H new ATOM 0 HA MET A 46 32.320 2.253 -25.081 1.00 3.78 H new ATOM 0 HB2 MET A 46 30.709 3.981 -23.088 1.00 4.09 H new ATOM 0 HB3 MET A 46 32.446 3.871 -22.881 1.00 4.09 H new ATOM 0 HG2 MET A 46 32.631 4.508 -25.387 1.00 4.17 H new ATOM 0 HG3 MET A 46 30.926 4.907 -25.310 1.00 4.17 H new ATOM 0 HE1 MET A 46 30.673 8.280 -23.716 1.00 3.45 H new ATOM 0 HE2 MET A 46 30.103 7.199 -25.010 1.00 3.45 H new ATOM 0 HE3 MET A 46 30.023 6.674 -23.311 1.00 3.45 H new ATOM 725 N LEU A 47 31.571 1.359 -22.037 1.00 3.06 N ATOM 726 CA LEU A 47 31.975 0.393 -20.955 1.00 2.86 C ATOM 727 C LEU A 47 30.816 -0.614 -20.889 1.00 2.41 C ATOM 728 O LEU A 47 29.736 -0.312 -21.368 1.00 4.13 O ATOM 729 CB LEU A 47 32.121 1.109 -19.557 1.00 2.66 C ATOM 730 CG LEU A 47 32.188 2.652 -19.656 1.00 4.08 C ATOM 731 CD1 LEU A 47 32.197 3.216 -18.230 1.00 4.61 C ATOM 732 CD2 LEU A 47 33.496 3.070 -20.336 1.00 3.76 C ATOM 0 H LEU A 47 30.841 2.020 -21.772 1.00 3.06 H new ATOM 0 HA LEU A 47 32.940 -0.064 -21.174 1.00 2.86 H new ATOM 0 HB2 LEU A 47 31.278 0.830 -18.925 1.00 2.66 H new ATOM 0 HB3 LEU A 47 33.023 0.745 -19.064 1.00 2.66 H new ATOM 0 HG LEU A 47 31.338 3.023 -20.229 1.00 4.08 H new ATOM 0 HD11 LEU A 47 32.244 4.304 -18.269 1.00 4.61 H new ATOM 0 HD12 LEU A 47 31.288 2.911 -17.712 1.00 4.61 H new ATOM 0 HD13 LEU A 47 33.066 2.835 -17.693 1.00 4.61 H new ATOM 0 HD21 LEU A 47 33.540 4.157 -20.404 1.00 3.76 H new ATOM 0 HD22 LEU A 47 34.342 2.709 -19.751 1.00 3.76 H new ATOM 0 HD23 LEU A 47 33.538 2.642 -21.338 1.00 3.76 H new ATOM 744 N ASP A 48 31.033 -1.759 -20.296 1.00 1.45 N ATOM 745 CA ASP A 48 29.923 -2.744 -20.231 1.00 0.93 C ATOM 746 C ASP A 48 29.546 -3.021 -18.770 1.00 0.42 C ATOM 747 O ASP A 48 28.417 -2.728 -18.426 1.00 0.66 O ATOM 748 CB ASP A 48 30.361 -4.063 -20.967 1.00 1.23 C ATOM 749 CG ASP A 48 31.349 -4.897 -20.165 1.00 3.49 C ATOM 750 OD1 ASP A 48 32.384 -4.342 -19.829 1.00 4.54 O ATOM 751 OD2 ASP A 48 30.980 -6.034 -19.939 1.00 4.60 O ATOM 0 H ASP A 48 31.911 -2.047 -19.864 1.00 1.45 H new ATOM 0 HA ASP A 48 29.041 -2.341 -20.729 1.00 0.93 H new ATOM 0 HB2 ASP A 48 29.477 -4.664 -21.179 1.00 1.23 H new ATOM 0 HB3 ASP A 48 30.809 -3.804 -21.927 1.00 1.23 H new ATOM 756 N PHE A 49 30.457 -3.539 -17.976 1.00 0.56 N ATOM 757 CA PHE A 49 30.227 -3.877 -16.530 1.00 1.00 C ATOM 758 C PHE A 49 28.988 -3.240 -15.881 1.00 0.44 C ATOM 759 O PHE A 49 28.022 -3.938 -15.685 1.00 0.75 O ATOM 760 CB PHE A 49 31.601 -3.544 -15.797 1.00 1.88 C ATOM 761 CG PHE A 49 31.749 -2.100 -15.348 1.00 2.35 C ATOM 762 CD1 PHE A 49 31.300 -1.781 -14.089 1.00 2.43 C ATOM 763 CD2 PHE A 49 32.285 -1.117 -16.151 1.00 3.12 C ATOM 764 CE1 PHE A 49 31.374 -0.498 -13.618 1.00 3.09 C ATOM 765 CE2 PHE A 49 32.364 0.182 -15.682 1.00 4.06 C ATOM 766 CZ PHE A 49 31.907 0.492 -14.413 1.00 3.99 C ATOM 0 H PHE A 49 31.403 -3.752 -18.292 1.00 0.56 H new ATOM 0 HA PHE A 49 29.967 -4.931 -16.431 1.00 1.00 H new ATOM 0 HB2 PHE A 49 31.699 -4.192 -14.926 1.00 1.88 H new ATOM 0 HB3 PHE A 49 32.424 -3.787 -16.469 1.00 1.88 H new ATOM 0 HD1 PHE A 49 30.882 -2.555 -13.462 1.00 2.43 H new ATOM 0 HD2 PHE A 49 32.642 -1.359 -17.141 1.00 3.12 H new ATOM 0 HE1 PHE A 49 31.016 -0.263 -12.627 1.00 3.09 H new ATOM 0 HE2 PHE A 49 32.783 0.956 -16.308 1.00 4.06 H new ATOM 0 HZ PHE A 49 31.968 1.506 -14.048 1.00 3.99 H new ATOM 776 N LYS A 50 29.005 -1.984 -15.570 1.00 0.22 N ATOM 777 CA LYS A 50 27.776 -1.391 -14.947 1.00 0.77 C ATOM 778 C LYS A 50 26.996 -0.697 -16.048 1.00 1.04 C ATOM 779 O LYS A 50 25.794 -0.790 -16.133 1.00 2.46 O ATOM 780 CB LYS A 50 28.154 -0.382 -13.811 1.00 1.39 C ATOM 781 CG LYS A 50 28.508 1.045 -14.263 1.00 1.78 C ATOM 782 CD LYS A 50 28.818 1.871 -12.966 1.00 1.44 C ATOM 783 CE LYS A 50 28.725 3.377 -13.207 1.00 3.87 C ATOM 784 NZ LYS A 50 29.518 3.682 -14.432 1.00 4.16 N ATOM 0 H LYS A 50 29.788 -1.346 -15.710 1.00 0.22 H new ATOM 0 HA LYS A 50 27.171 -2.173 -14.487 1.00 0.77 H new ATOM 0 HB2 LYS A 50 27.319 -0.323 -13.113 1.00 1.39 H new ATOM 0 HB3 LYS A 50 29.003 -0.788 -13.260 1.00 1.39 H new ATOM 0 HG2 LYS A 50 29.370 1.036 -14.930 1.00 1.78 H new ATOM 0 HG3 LYS A 50 27.681 1.491 -14.816 1.00 1.78 H new ATOM 0 HD2 LYS A 50 28.119 1.586 -12.180 1.00 1.44 H new ATOM 0 HD3 LYS A 50 29.817 1.623 -12.609 1.00 1.44 H new ATOM 0 HE2 LYS A 50 27.686 3.682 -13.336 1.00 3.87 H new ATOM 0 HE3 LYS A 50 29.114 3.928 -12.351 1.00 3.87 H new ATOM 0 HZ1 LYS A 50 29.778 4.689 -14.435 1.00 4.16 H new ATOM 0 HZ2 LYS A 50 30.381 3.101 -14.440 1.00 4.16 H new ATOM 0 HZ3 LYS A 50 28.949 3.469 -15.276 1.00 4.16 H new ATOM 798 N GLY A 51 27.750 -0.025 -16.870 1.00 0.41 N ATOM 799 CA GLY A 51 27.229 0.752 -18.037 1.00 0.40 C ATOM 800 C GLY A 51 26.040 0.075 -18.676 1.00 0.45 C ATOM 801 O GLY A 51 24.916 0.501 -18.521 1.00 0.59 O ATOM 0 H GLY A 51 28.765 0.021 -16.776 1.00 0.41 H new ATOM 0 HA2 GLY A 51 26.945 1.752 -17.710 1.00 0.40 H new ATOM 0 HA3 GLY A 51 28.020 0.871 -18.777 1.00 0.40 H new ATOM 805 N LYS A 52 26.318 -1.003 -19.342 1.00 0.37 N ATOM 806 CA LYS A 52 25.251 -1.759 -20.034 1.00 0.40 C ATOM 807 C LYS A 52 24.373 -2.508 -19.086 1.00 0.63 C ATOM 808 O LYS A 52 23.201 -2.591 -19.350 1.00 0.46 O ATOM 809 CB LYS A 52 25.986 -2.656 -21.015 1.00 0.42 C ATOM 810 CG LYS A 52 25.522 -4.061 -21.085 1.00 2.70 C ATOM 811 CD LYS A 52 26.157 -4.840 -19.909 1.00 3.86 C ATOM 812 CE LYS A 52 26.241 -6.331 -20.250 1.00 5.85 C ATOM 813 NZ LYS A 52 24.837 -6.810 -20.493 1.00 7.89 N ATOM 0 H LYS A 52 27.254 -1.397 -19.437 1.00 0.37 H new ATOM 0 HA LYS A 52 24.552 -1.101 -20.551 1.00 0.40 H new ATOM 0 HB2 LYS A 52 25.904 -2.217 -22.009 1.00 0.42 H new ATOM 0 HB3 LYS A 52 27.044 -2.656 -20.753 1.00 0.42 H new ATOM 0 HG2 LYS A 52 24.434 -4.105 -21.027 1.00 2.70 H new ATOM 0 HG3 LYS A 52 25.809 -4.509 -22.036 1.00 2.70 H new ATOM 0 HD2 LYS A 52 27.153 -4.450 -19.700 1.00 3.86 H new ATOM 0 HD3 LYS A 52 25.563 -4.698 -19.006 1.00 3.86 H new ATOM 0 HE2 LYS A 52 26.860 -6.490 -21.133 1.00 5.85 H new ATOM 0 HE3 LYS A 52 26.702 -6.887 -19.434 1.00 5.85 H new ATOM 0 HZ1 LYS A 52 24.841 -7.841 -20.628 1.00 7.89 H new ATOM 0 HZ2 LYS A 52 24.242 -6.570 -19.675 1.00 7.89 H new ATOM 0 HZ3 LYS A 52 24.456 -6.351 -21.345 1.00 7.89 H new ATOM 827 N ALA A 53 24.975 -2.963 -18.026 1.00 1.09 N ATOM 828 CA ALA A 53 24.210 -3.751 -17.021 1.00 1.33 C ATOM 829 C ALA A 53 22.922 -2.968 -16.696 1.00 1.29 C ATOM 830 O ALA A 53 21.823 -3.460 -16.843 1.00 1.22 O ATOM 831 CB ALA A 53 25.125 -3.937 -15.797 1.00 1.74 C ATOM 0 H ALA A 53 25.962 -2.824 -17.811 1.00 1.09 H new ATOM 0 HA ALA A 53 23.916 -4.738 -17.377 1.00 1.33 H new ATOM 0 HB1 ALA A 53 24.600 -4.512 -15.034 1.00 1.74 H new ATOM 0 HB2 ALA A 53 26.028 -4.470 -16.095 1.00 1.74 H new ATOM 0 HB3 ALA A 53 25.396 -2.961 -15.394 1.00 1.74 H new ATOM 837 N LYS A 54 23.197 -1.761 -16.291 1.00 1.44 N ATOM 838 CA LYS A 54 22.169 -0.763 -15.913 1.00 1.78 C ATOM 839 C LYS A 54 21.097 -0.673 -16.992 1.00 1.29 C ATOM 840 O LYS A 54 19.926 -0.537 -16.709 1.00 1.12 O ATOM 841 CB LYS A 54 22.921 0.553 -15.715 1.00 2.27 C ATOM 842 CG LYS A 54 23.684 0.424 -14.381 1.00 1.37 C ATOM 843 CD LYS A 54 24.897 1.375 -14.320 1.00 0.99 C ATOM 844 CE LYS A 54 24.641 2.756 -13.695 1.00 1.55 C ATOM 845 NZ LYS A 54 23.505 3.435 -14.345 1.00 0.77 N ATOM 0 H LYS A 54 24.151 -1.411 -16.204 1.00 1.44 H new ATOM 0 HA LYS A 54 21.640 -1.033 -14.999 1.00 1.78 H new ATOM 0 HB2 LYS A 54 23.610 0.734 -16.540 1.00 2.27 H new ATOM 0 HB3 LYS A 54 22.229 1.395 -15.687 1.00 2.27 H new ATOM 0 HG2 LYS A 54 23.009 0.643 -13.554 1.00 1.37 H new ATOM 0 HG3 LYS A 54 24.022 -0.604 -14.254 1.00 1.37 H new ATOM 0 HD2 LYS A 54 25.690 0.884 -13.756 1.00 0.99 H new ATOM 0 HD3 LYS A 54 25.270 1.521 -15.334 1.00 0.99 H new ATOM 0 HE2 LYS A 54 24.439 2.644 -12.630 1.00 1.55 H new ATOM 0 HE3 LYS A 54 25.536 3.371 -13.787 1.00 1.55 H new ATOM 0 HZ1 LYS A 54 23.461 4.423 -14.024 1.00 0.77 H new ATOM 0 HZ2 LYS A 54 23.631 3.412 -15.377 1.00 0.77 H new ATOM 0 HZ3 LYS A 54 22.620 2.950 -14.093 1.00 0.77 H new ATOM 859 N TRP A 55 21.494 -0.768 -18.239 1.00 1.15 N ATOM 860 CA TRP A 55 20.522 -0.690 -19.386 1.00 0.80 C ATOM 861 C TRP A 55 19.965 -2.112 -19.514 1.00 0.27 C ATOM 862 O TRP A 55 18.844 -2.396 -19.128 1.00 0.53 O ATOM 863 CB TRP A 55 21.306 -0.291 -20.660 1.00 0.95 C ATOM 864 CG TRP A 55 20.287 0.226 -21.664 1.00 1.15 C ATOM 865 CD1 TRP A 55 19.825 1.493 -21.617 1.00 1.54 C ATOM 866 CD2 TRP A 55 19.674 -0.450 -22.664 1.00 1.17 C ATOM 867 NE1 TRP A 55 18.942 1.519 -22.592 1.00 1.71 N ATOM 868 CE2 TRP A 55 18.771 0.407 -23.290 1.00 1.61 C ATOM 869 CE3 TRP A 55 19.801 -1.765 -23.115 1.00 1.01 C ATOM 870 CZ2 TRP A 55 18.000 -0.049 -24.355 1.00 1.94 C ATOM 871 CZ3 TRP A 55 19.028 -2.222 -24.185 1.00 1.45 C ATOM 872 CH2 TRP A 55 18.125 -1.362 -24.807 1.00 1.89 C ATOM 0 H TRP A 55 22.466 -0.899 -18.519 1.00 1.15 H new ATOM 0 HA TRP A 55 19.725 0.039 -19.240 1.00 0.80 H new ATOM 0 HB2 TRP A 55 22.047 0.475 -20.433 1.00 0.95 H new ATOM 0 HB3 TRP A 55 21.846 -1.147 -21.064 1.00 0.95 H new ATOM 0 HD1 TRP A 55 20.110 2.289 -20.945 1.00 1.54 H new ATOM 0 HE1 TRP A 55 18.410 2.363 -22.802 1.00 1.71 H new ATOM 0 HE3 TRP A 55 20.501 -2.433 -22.634 1.00 1.01 H new ATOM 0 HZ2 TRP A 55 17.300 0.619 -24.835 1.00 1.94 H new ATOM 0 HZ3 TRP A 55 19.130 -3.240 -24.530 1.00 1.45 H new ATOM 0 HH2 TRP A 55 17.525 -1.711 -25.635 1.00 1.89 H new ATOM 883 N ASP A 56 20.747 -2.986 -20.093 1.00 0.56 N ATOM 884 CA ASP A 56 20.408 -4.425 -20.284 1.00 0.35 C ATOM 885 C ASP A 56 19.419 -4.936 -19.226 1.00 0.37 C ATOM 886 O ASP A 56 18.305 -5.276 -19.551 1.00 0.37 O ATOM 887 CB ASP A 56 21.841 -5.045 -20.295 1.00 0.56 C ATOM 888 CG ASP A 56 22.497 -4.822 -21.628 1.00 0.61 C ATOM 889 OD1 ASP A 56 22.455 -3.712 -22.119 1.00 2.00 O ATOM 890 OD2 ASP A 56 23.056 -5.794 -22.103 1.00 1.40 O ATOM 0 H ASP A 56 21.665 -2.739 -20.463 1.00 0.56 H new ATOM 0 HA ASP A 56 19.851 -4.687 -21.184 1.00 0.35 H new ATOM 0 HB2 ASP A 56 22.444 -4.596 -19.506 1.00 0.56 H new ATOM 0 HB3 ASP A 56 21.784 -6.113 -20.085 1.00 0.56 H new ATOM 895 N ALA A 57 19.854 -4.936 -17.993 1.00 0.36 N ATOM 896 CA ALA A 57 19.047 -5.400 -16.813 1.00 0.34 C ATOM 897 C ALA A 57 17.587 -4.853 -16.754 1.00 0.25 C ATOM 898 O ALA A 57 16.683 -5.457 -16.216 1.00 0.31 O ATOM 899 CB ALA A 57 19.847 -4.999 -15.571 1.00 0.32 C ATOM 0 H ALA A 57 20.789 -4.615 -17.739 1.00 0.36 H new ATOM 0 HA ALA A 57 18.902 -6.478 -16.888 1.00 0.34 H new ATOM 0 HB1 ALA A 57 19.309 -5.311 -14.676 1.00 0.32 H new ATOM 0 HB2 ALA A 57 20.823 -5.483 -15.595 1.00 0.32 H new ATOM 0 HB3 ALA A 57 19.979 -3.917 -15.557 1.00 0.32 H new ATOM 905 N TRP A 58 17.407 -3.690 -17.316 1.00 0.20 N ATOM 906 CA TRP A 58 16.084 -2.981 -17.384 1.00 0.22 C ATOM 907 C TRP A 58 15.436 -3.243 -18.784 1.00 0.26 C ATOM 908 O TRP A 58 14.237 -3.419 -18.919 1.00 0.33 O ATOM 909 CB TRP A 58 16.328 -1.456 -17.136 1.00 0.18 C ATOM 910 CG TRP A 58 15.016 -0.681 -17.377 1.00 0.23 C ATOM 911 CD1 TRP A 58 13.769 -1.223 -17.313 1.00 0.31 C ATOM 912 CD2 TRP A 58 14.904 0.624 -17.712 1.00 0.52 C ATOM 913 NE1 TRP A 58 12.994 -0.207 -17.624 1.00 0.56 N ATOM 914 CE2 TRP A 58 13.569 0.945 -17.882 1.00 0.75 C ATOM 915 CE3 TRP A 58 15.863 1.605 -17.900 1.00 0.70 C ATOM 916 CZ2 TRP A 58 13.171 2.226 -18.241 1.00 1.12 C ATOM 917 CZ3 TRP A 58 15.476 2.904 -18.265 1.00 1.08 C ATOM 918 CH2 TRP A 58 14.130 3.213 -18.436 1.00 1.29 C ATOM 0 H TRP A 58 18.165 -3.169 -17.757 1.00 0.20 H new ATOM 0 HA TRP A 58 15.398 -3.351 -16.622 1.00 0.22 H new ATOM 0 HB2 TRP A 58 16.677 -1.293 -16.116 1.00 0.18 H new ATOM 0 HB3 TRP A 58 17.108 -1.088 -17.802 1.00 0.18 H new ATOM 0 HD1 TRP A 58 13.486 -2.236 -17.068 1.00 0.31 H new ATOM 0 HE1 TRP A 58 11.980 -0.310 -17.663 1.00 0.56 H new ATOM 0 HE3 TRP A 58 16.909 1.371 -17.766 1.00 0.70 H new ATOM 0 HZ2 TRP A 58 12.123 2.454 -18.368 1.00 1.12 H new ATOM 0 HZ3 TRP A 58 16.226 3.667 -18.414 1.00 1.08 H new ATOM 0 HH2 TRP A 58 13.833 4.212 -18.718 1.00 1.29 H new ATOM 929 N ASN A 59 16.249 -3.307 -19.804 1.00 0.28 N ATOM 930 CA ASN A 59 15.693 -3.548 -21.174 1.00 0.30 C ATOM 931 C ASN A 59 15.024 -4.934 -21.052 1.00 0.42 C ATOM 932 O ASN A 59 13.926 -5.150 -21.529 1.00 0.50 O ATOM 933 CB ASN A 59 16.815 -3.600 -22.219 1.00 0.15 C ATOM 934 CG ASN A 59 16.128 -3.782 -23.576 1.00 0.58 C ATOM 935 OD1 ASN A 59 15.542 -2.880 -24.131 1.00 0.45 O ATOM 936 ND2 ASN A 59 16.139 -4.932 -24.163 1.00 1.46 N ATOM 0 H ASN A 59 17.263 -3.205 -19.754 1.00 0.28 H new ATOM 0 HA ASN A 59 15.010 -2.761 -21.493 1.00 0.30 H new ATOM 0 HB2 ASN A 59 17.406 -2.684 -22.202 1.00 0.15 H new ATOM 0 HB3 ASN A 59 17.499 -4.424 -22.015 1.00 0.15 H new ATOM 0 HD21 ASN A 59 15.666 -5.052 -25.059 1.00 1.46 H new ATOM 0 HD22 ASN A 59 16.621 -5.720 -23.731 1.00 1.46 H new ATOM 943 N GLU A 60 15.724 -5.809 -20.375 1.00 0.45 N ATOM 944 CA GLU A 60 15.260 -7.207 -20.135 1.00 0.59 C ATOM 945 C GLU A 60 13.866 -7.247 -19.484 1.00 0.74 C ATOM 946 O GLU A 60 13.172 -8.237 -19.565 1.00 0.86 O ATOM 947 CB GLU A 60 16.326 -7.930 -19.227 1.00 0.69 C ATOM 948 CG GLU A 60 17.633 -8.244 -20.043 1.00 2.69 C ATOM 949 CD GLU A 60 18.683 -9.019 -19.219 1.00 3.47 C ATOM 950 OE1 GLU A 60 19.123 -8.506 -18.202 1.00 2.72 O ATOM 951 OE2 GLU A 60 18.988 -10.109 -19.677 1.00 5.02 O ATOM 0 H GLU A 60 16.634 -5.601 -19.964 1.00 0.45 H new ATOM 0 HA GLU A 60 15.167 -7.722 -21.091 1.00 0.59 H new ATOM 0 HB2 GLU A 60 16.569 -7.300 -18.371 1.00 0.69 H new ATOM 0 HB3 GLU A 60 15.907 -8.856 -18.833 1.00 0.69 H new ATOM 0 HG2 GLU A 60 17.372 -8.824 -20.928 1.00 2.69 H new ATOM 0 HG3 GLU A 60 18.071 -7.309 -20.393 1.00 2.69 H new ATOM 958 N LEU A 61 13.492 -6.166 -18.862 1.00 0.82 N ATOM 959 CA LEU A 61 12.161 -6.051 -18.174 1.00 1.02 C ATOM 960 C LEU A 61 11.189 -5.117 -18.890 1.00 1.20 C ATOM 961 O LEU A 61 10.028 -5.041 -18.516 1.00 1.74 O ATOM 962 CB LEU A 61 12.361 -5.516 -16.747 1.00 0.90 C ATOM 963 CG LEU A 61 13.436 -6.286 -15.969 1.00 0.87 C ATOM 964 CD1 LEU A 61 13.391 -5.771 -14.532 1.00 0.84 C ATOM 965 CD2 LEU A 61 13.140 -7.782 -15.968 1.00 0.91 C ATOM 0 H LEU A 61 14.067 -5.326 -18.796 1.00 0.82 H new ATOM 0 HA LEU A 61 11.731 -7.053 -18.176 1.00 1.02 H new ATOM 0 HB2 LEU A 61 12.637 -4.463 -16.794 1.00 0.90 H new ATOM 0 HB3 LEU A 61 11.416 -5.574 -16.206 1.00 0.90 H new ATOM 0 HG LEU A 61 14.413 -6.136 -16.428 1.00 0.87 H new ATOM 0 HD11 LEU A 61 14.141 -6.291 -13.936 1.00 0.84 H new ATOM 0 HD12 LEU A 61 13.597 -4.701 -14.522 1.00 0.84 H new ATOM 0 HD13 LEU A 61 12.402 -5.954 -14.111 1.00 0.84 H new ATOM 0 HD21 LEU A 61 13.916 -8.306 -15.410 1.00 0.91 H new ATOM 0 HD22 LEU A 61 12.172 -7.961 -15.499 1.00 0.91 H new ATOM 0 HD23 LEU A 61 13.120 -8.150 -16.994 1.00 0.91 H new ATOM 977 N LYS A 62 11.662 -4.457 -19.912 1.00 0.93 N ATOM 978 CA LYS A 62 10.815 -3.504 -20.688 1.00 1.13 C ATOM 979 C LYS A 62 9.438 -4.172 -20.915 1.00 1.82 C ATOM 980 O LYS A 62 9.385 -5.272 -21.432 1.00 3.90 O ATOM 981 CB LYS A 62 11.646 -3.221 -21.983 1.00 0.93 C ATOM 982 CG LYS A 62 10.843 -2.319 -22.964 1.00 1.22 C ATOM 983 CD LYS A 62 10.515 -3.038 -24.316 1.00 1.18 C ATOM 984 CE LYS A 62 9.757 -4.379 -24.181 1.00 3.81 C ATOM 985 NZ LYS A 62 8.384 -4.180 -23.614 1.00 4.38 N ATOM 0 H LYS A 62 12.621 -4.540 -20.249 1.00 0.93 H new ATOM 0 HA LYS A 62 10.592 -2.554 -20.202 1.00 1.13 H new ATOM 0 HB2 LYS A 62 12.585 -2.735 -21.720 1.00 0.93 H new ATOM 0 HB3 LYS A 62 11.900 -4.162 -22.471 1.00 0.93 H new ATOM 0 HG2 LYS A 62 9.913 -2.009 -22.487 1.00 1.22 H new ATOM 0 HG3 LYS A 62 11.414 -1.413 -23.168 1.00 1.22 H new ATOM 0 HD2 LYS A 62 9.921 -2.364 -24.933 1.00 1.18 H new ATOM 0 HD3 LYS A 62 11.449 -3.219 -24.849 1.00 1.18 H new ATOM 0 HE2 LYS A 62 9.682 -4.856 -25.158 1.00 3.81 H new ATOM 0 HE3 LYS A 62 10.322 -5.055 -23.539 1.00 3.81 H new ATOM 0 HZ1 LYS A 62 8.198 -4.905 -22.892 1.00 4.38 H new ATOM 0 HZ2 LYS A 62 8.321 -3.237 -23.181 1.00 4.38 H new ATOM 0 HZ3 LYS A 62 7.679 -4.260 -24.375 1.00 4.38 H new ATOM 999 N GLY A 63 8.333 -3.558 -20.573 1.00 0.88 N ATOM 1000 CA GLY A 63 6.991 -4.231 -20.779 1.00 1.15 C ATOM 1001 C GLY A 63 6.355 -4.605 -19.444 1.00 1.07 C ATOM 1002 O GLY A 63 5.153 -4.537 -19.281 1.00 1.32 O ATOM 0 H GLY A 63 8.291 -2.626 -20.162 1.00 0.88 H new ATOM 0 HA2 GLY A 63 6.326 -3.564 -21.328 1.00 1.15 H new ATOM 0 HA3 GLY A 63 7.119 -5.126 -21.388 1.00 1.15 H new ATOM 1006 N THR A 64 7.181 -5.000 -18.508 1.00 1.31 N ATOM 1007 CA THR A 64 6.628 -5.385 -17.159 1.00 1.19 C ATOM 1008 C THR A 64 6.025 -4.130 -16.556 1.00 0.77 C ATOM 1009 O THR A 64 6.726 -3.149 -16.391 1.00 1.50 O ATOM 1010 CB THR A 64 7.710 -5.855 -16.192 1.00 1.47 C ATOM 1011 OG1 THR A 64 8.204 -7.053 -16.759 1.00 1.87 O ATOM 1012 CG2 THR A 64 7.095 -6.310 -14.877 1.00 1.45 C ATOM 0 H THR A 64 8.193 -5.074 -18.608 1.00 1.31 H new ATOM 0 HA THR A 64 5.916 -6.198 -17.303 1.00 1.19 H new ATOM 0 HB THR A 64 8.436 -5.059 -16.030 1.00 1.47 H new ATOM 0 HG1 THR A 64 8.866 -6.840 -17.449 1.00 1.87 H new ATOM 0 HG21 THR A 64 7.884 -6.641 -14.202 1.00 1.45 H new ATOM 0 HG22 THR A 64 6.553 -5.481 -14.423 1.00 1.45 H new ATOM 0 HG23 THR A 64 6.407 -7.135 -15.063 1.00 1.45 H new ATOM 1020 N SER A 65 4.768 -4.171 -16.224 1.00 0.52 N ATOM 1021 CA SER A 65 4.144 -2.948 -15.639 1.00 0.53 C ATOM 1022 C SER A 65 4.782 -2.488 -14.333 1.00 0.44 C ATOM 1023 O SER A 65 5.342 -3.257 -13.572 1.00 0.44 O ATOM 1024 CB SER A 65 2.685 -3.219 -15.402 1.00 1.18 C ATOM 1025 OG SER A 65 2.219 -1.941 -14.983 1.00 3.36 O ATOM 0 H SER A 65 4.153 -4.978 -16.328 1.00 0.52 H new ATOM 0 HA SER A 65 4.299 -2.143 -16.357 1.00 0.53 H new ATOM 0 HB2 SER A 65 2.181 -3.563 -16.305 1.00 1.18 H new ATOM 0 HB3 SER A 65 2.529 -3.982 -14.639 1.00 1.18 H new ATOM 0 HG SER A 65 1.258 -1.988 -14.796 1.00 3.36 H new ATOM 1031 N LYS A 66 4.641 -1.212 -14.103 1.00 0.42 N ATOM 1032 CA LYS A 66 5.205 -0.584 -12.882 1.00 0.39 C ATOM 1033 C LYS A 66 4.988 -1.449 -11.636 1.00 0.25 C ATOM 1034 O LYS A 66 5.937 -1.871 -11.015 1.00 0.30 O ATOM 1035 CB LYS A 66 4.562 0.830 -12.802 1.00 0.47 C ATOM 1036 CG LYS A 66 4.978 1.555 -14.124 1.00 0.59 C ATOM 1037 CD LYS A 66 4.554 3.025 -14.179 1.00 0.44 C ATOM 1038 CE LYS A 66 5.243 3.795 -13.078 1.00 2.18 C ATOM 1039 NZ LYS A 66 5.195 5.236 -13.467 1.00 3.72 N ATOM 0 H LYS A 66 4.149 -0.569 -14.723 1.00 0.42 H new ATOM 0 HA LYS A 66 6.290 -0.493 -12.931 1.00 0.39 H new ATOM 0 HB2 LYS A 66 3.477 0.763 -12.716 1.00 0.47 H new ATOM 0 HB3 LYS A 66 4.918 1.374 -11.927 1.00 0.47 H new ATOM 0 HG2 LYS A 66 6.060 1.494 -14.236 1.00 0.59 H new ATOM 0 HG3 LYS A 66 4.539 1.027 -14.971 1.00 0.59 H new ATOM 0 HD2 LYS A 66 4.810 3.451 -15.149 1.00 0.44 H new ATOM 0 HD3 LYS A 66 3.472 3.106 -14.071 1.00 0.44 H new ATOM 0 HE2 LYS A 66 4.743 3.635 -12.123 1.00 2.18 H new ATOM 0 HE3 LYS A 66 6.274 3.461 -12.958 1.00 2.18 H new ATOM 0 HZ1 LYS A 66 6.134 5.538 -13.796 1.00 3.72 H new ATOM 0 HZ2 LYS A 66 4.502 5.366 -14.231 1.00 3.72 H new ATOM 0 HZ3 LYS A 66 4.916 5.808 -12.645 1.00 3.72 H new ATOM 1053 N GLU A 67 3.747 -1.679 -11.348 1.00 0.34 N ATOM 1054 CA GLU A 67 3.248 -2.489 -10.199 1.00 0.29 C ATOM 1055 C GLU A 67 4.033 -3.793 -9.932 1.00 0.23 C ATOM 1056 O GLU A 67 4.486 -4.064 -8.830 1.00 0.28 O ATOM 1057 CB GLU A 67 1.766 -2.719 -10.532 1.00 0.29 C ATOM 1058 CG GLU A 67 0.898 -1.487 -10.061 1.00 0.25 C ATOM 1059 CD GLU A 67 0.782 -1.394 -8.516 1.00 1.53 C ATOM 1060 OE1 GLU A 67 1.059 -2.370 -7.829 1.00 2.02 O ATOM 1061 OE2 GLU A 67 0.405 -0.311 -8.115 1.00 2.08 O ATOM 0 H GLU A 67 2.987 -1.303 -11.915 1.00 0.34 H new ATOM 0 HA GLU A 67 3.390 -1.966 -9.253 1.00 0.29 H new ATOM 0 HB2 GLU A 67 1.647 -2.867 -11.605 1.00 0.29 H new ATOM 0 HB3 GLU A 67 1.414 -3.628 -10.044 1.00 0.29 H new ATOM 0 HG2 GLU A 67 1.341 -0.568 -10.444 1.00 0.25 H new ATOM 0 HG3 GLU A 67 -0.100 -1.564 -10.493 1.00 0.25 H new ATOM 1068 N ASP A 68 4.196 -4.591 -10.959 1.00 0.18 N ATOM 1069 CA ASP A 68 4.932 -5.863 -10.800 1.00 0.27 C ATOM 1070 C ASP A 68 6.370 -5.613 -10.465 1.00 0.30 C ATOM 1071 O ASP A 68 6.951 -6.275 -9.619 1.00 0.38 O ATOM 1072 CB ASP A 68 4.747 -6.600 -12.093 1.00 0.47 C ATOM 1073 CG ASP A 68 3.341 -7.155 -12.061 1.00 0.66 C ATOM 1074 OD1 ASP A 68 2.454 -6.361 -12.309 1.00 2.81 O ATOM 1075 OD2 ASP A 68 3.249 -8.334 -11.768 1.00 1.39 O ATOM 0 H ASP A 68 3.846 -4.407 -11.899 1.00 0.18 H new ATOM 0 HA ASP A 68 4.555 -6.460 -9.970 1.00 0.27 H new ATOM 0 HB2 ASP A 68 4.884 -5.934 -12.945 1.00 0.47 H new ATOM 0 HB3 ASP A 68 5.480 -7.400 -12.194 1.00 0.47 H new ATOM 1080 N ALA A 69 6.872 -4.636 -11.152 1.00 0.24 N ATOM 1081 CA ALA A 69 8.285 -4.269 -10.916 1.00 0.20 C ATOM 1082 C ALA A 69 8.275 -3.702 -9.471 1.00 0.26 C ATOM 1083 O ALA A 69 9.238 -3.893 -8.766 1.00 0.28 O ATOM 1084 CB ALA A 69 8.683 -3.242 -11.943 1.00 0.25 C ATOM 0 H ALA A 69 6.377 -4.085 -11.853 1.00 0.24 H new ATOM 0 HA ALA A 69 8.999 -5.087 -11.007 1.00 0.20 H new ATOM 0 HB1 ALA A 69 9.723 -2.956 -11.788 1.00 0.25 H new ATOM 0 HB2 ALA A 69 8.568 -3.663 -12.942 1.00 0.25 H new ATOM 0 HB3 ALA A 69 8.047 -2.363 -11.844 1.00 0.25 H new ATOM 1090 N MET A 70 7.238 -3.019 -9.029 1.00 0.26 N ATOM 1091 CA MET A 70 7.243 -2.497 -7.624 1.00 0.26 C ATOM 1092 C MET A 70 7.354 -3.733 -6.736 1.00 0.25 C ATOM 1093 O MET A 70 8.285 -3.768 -5.968 1.00 0.28 O ATOM 1094 CB MET A 70 5.930 -1.704 -7.314 1.00 0.21 C ATOM 1095 CG MET A 70 5.887 -0.388 -8.119 1.00 0.22 C ATOM 1096 SD MET A 70 4.449 0.675 -7.851 1.00 0.40 S ATOM 1097 CE MET A 70 4.838 1.985 -9.040 1.00 0.38 C ATOM 0 H MET A 70 6.402 -2.805 -9.573 1.00 0.26 H new ATOM 0 HA MET A 70 8.065 -1.801 -7.456 1.00 0.26 H new ATOM 0 HB2 MET A 70 5.062 -2.316 -7.561 1.00 0.21 H new ATOM 0 HB3 MET A 70 5.874 -1.486 -6.247 1.00 0.21 H new ATOM 0 HG2 MET A 70 6.784 0.185 -7.884 1.00 0.22 H new ATOM 0 HG3 MET A 70 5.936 -0.635 -9.180 1.00 0.22 H new ATOM 0 HE1 MET A 70 4.738 2.957 -8.557 1.00 0.38 H new ATOM 0 HE2 MET A 70 5.861 1.861 -9.396 1.00 0.38 H new ATOM 0 HE3 MET A 70 4.150 1.927 -9.884 1.00 0.38 H new ATOM 1107 N LYS A 71 6.445 -4.675 -6.850 1.00 0.23 N ATOM 1108 CA LYS A 71 6.488 -5.934 -6.030 1.00 0.23 C ATOM 1109 C LYS A 71 7.967 -6.398 -5.948 1.00 0.29 C ATOM 1110 O LYS A 71 8.622 -6.266 -4.940 1.00 0.51 O ATOM 1111 CB LYS A 71 5.572 -7.028 -6.735 1.00 0.33 C ATOM 1112 CG LYS A 71 4.074 -6.808 -6.376 1.00 0.20 C ATOM 1113 CD LYS A 71 3.040 -7.150 -7.521 1.00 1.74 C ATOM 1114 CE LYS A 71 2.928 -8.627 -8.020 1.00 3.58 C ATOM 1115 NZ LYS A 71 3.870 -8.880 -9.161 1.00 5.35 N ATOM 0 H LYS A 71 5.655 -4.623 -7.493 1.00 0.23 H new ATOM 0 HA LYS A 71 6.112 -5.773 -5.020 1.00 0.23 H new ATOM 0 HB2 LYS A 71 5.703 -6.977 -7.816 1.00 0.33 H new ATOM 0 HB3 LYS A 71 5.883 -8.025 -6.423 1.00 0.33 H new ATOM 0 HG2 LYS A 71 3.835 -7.415 -5.503 1.00 0.20 H new ATOM 0 HG3 LYS A 71 3.937 -5.766 -6.087 1.00 0.20 H new ATOM 0 HD2 LYS A 71 2.053 -6.843 -7.176 1.00 1.74 H new ATOM 0 HD3 LYS A 71 3.284 -6.529 -8.382 1.00 1.74 H new ATOM 0 HE2 LYS A 71 3.152 -9.310 -7.200 1.00 3.58 H new ATOM 0 HE3 LYS A 71 1.905 -8.832 -8.336 1.00 3.58 H new ATOM 0 HZ1 LYS A 71 4.061 -9.900 -9.234 1.00 5.35 H new ATOM 0 HZ2 LYS A 71 3.441 -8.544 -10.047 1.00 5.35 H new ATOM 0 HZ3 LYS A 71 4.762 -8.371 -8.994 1.00 5.35 H new ATOM 1129 N ALA A 72 8.455 -6.906 -7.045 1.00 0.18 N ATOM 1130 CA ALA A 72 9.856 -7.393 -7.111 1.00 0.31 C ATOM 1131 C ALA A 72 10.886 -6.324 -6.629 1.00 0.28 C ATOM 1132 O ALA A 72 11.860 -6.640 -5.977 1.00 0.28 O ATOM 1133 CB ALA A 72 9.955 -7.831 -8.571 1.00 0.46 C ATOM 0 H ALA A 72 7.930 -7.005 -7.914 1.00 0.18 H new ATOM 0 HA ALA A 72 10.102 -8.210 -6.433 1.00 0.31 H new ATOM 0 HB1 ALA A 72 10.954 -8.220 -8.767 1.00 0.46 H new ATOM 0 HB2 ALA A 72 9.218 -8.609 -8.768 1.00 0.46 H new ATOM 0 HB3 ALA A 72 9.764 -6.977 -9.221 1.00 0.46 H new ATOM 1139 N TYR A 73 10.676 -5.078 -6.941 1.00 0.28 N ATOM 1140 CA TYR A 73 11.634 -4.022 -6.493 1.00 0.30 C ATOM 1141 C TYR A 73 11.697 -4.064 -4.968 1.00 0.30 C ATOM 1142 O TYR A 73 12.732 -4.275 -4.375 1.00 0.30 O ATOM 1143 CB TYR A 73 11.127 -2.643 -6.962 1.00 0.34 C ATOM 1144 CG TYR A 73 12.023 -1.559 -6.386 1.00 0.31 C ATOM 1145 CD1 TYR A 73 13.289 -1.401 -6.886 1.00 0.23 C ATOM 1146 CD2 TYR A 73 11.585 -0.729 -5.372 1.00 0.35 C ATOM 1147 CE1 TYR A 73 14.099 -0.427 -6.380 1.00 0.19 C ATOM 1148 CE2 TYR A 73 12.414 0.248 -4.876 1.00 0.31 C ATOM 1149 CZ TYR A 73 13.669 0.396 -5.383 1.00 0.22 C ATOM 1150 OH TYR A 73 14.498 1.377 -4.901 1.00 0.16 O ATOM 0 H TYR A 73 9.883 -4.741 -7.487 1.00 0.28 H new ATOM 0 HA TYR A 73 12.625 -4.193 -6.914 1.00 0.30 H new ATOM 0 HB2 TYR A 73 11.129 -2.593 -8.051 1.00 0.34 H new ATOM 0 HB3 TYR A 73 10.098 -2.491 -6.638 1.00 0.34 H new ATOM 0 HD1 TYR A 73 13.644 -2.045 -7.677 1.00 0.23 H new ATOM 0 HD2 TYR A 73 10.590 -0.848 -4.969 1.00 0.35 H new ATOM 0 HE1 TYR A 73 15.097 -0.306 -6.776 1.00 0.19 H new ATOM 0 HE2 TYR A 73 12.071 0.898 -4.085 1.00 0.31 H new ATOM 0 HH TYR A 73 14.490 2.142 -5.513 1.00 0.16 H new ATOM 1160 N ILE A 74 10.544 -3.876 -4.395 1.00 0.29 N ATOM 1161 CA ILE A 74 10.356 -3.866 -2.916 1.00 0.30 C ATOM 1162 C ILE A 74 10.835 -5.184 -2.291 1.00 0.29 C ATOM 1163 O ILE A 74 11.509 -5.194 -1.285 1.00 0.39 O ATOM 1164 CB ILE A 74 8.861 -3.632 -2.641 1.00 0.42 C ATOM 1165 CG1 ILE A 74 8.435 -2.260 -3.230 1.00 0.49 C ATOM 1166 CG2 ILE A 74 8.686 -3.584 -1.098 1.00 0.50 C ATOM 1167 CD1 ILE A 74 6.900 -2.170 -3.295 1.00 0.78 C ATOM 0 H ILE A 74 9.682 -3.721 -4.917 1.00 0.29 H new ATOM 0 HA ILE A 74 10.951 -3.072 -2.464 1.00 0.30 H new ATOM 0 HB ILE A 74 8.256 -4.420 -3.090 1.00 0.42 H new ATOM 0 HG12 ILE A 74 8.829 -1.452 -2.614 1.00 0.49 H new ATOM 0 HG13 ILE A 74 8.858 -2.136 -4.227 1.00 0.49 H new ATOM 0 HG21 ILE A 74 7.636 -3.419 -0.856 1.00 0.50 H new ATOM 0 HG22 ILE A 74 9.014 -4.529 -0.665 1.00 0.50 H new ATOM 0 HG23 ILE A 74 9.285 -2.770 -0.689 1.00 0.50 H new ATOM 0 HD11 ILE A 74 6.609 -1.205 -3.709 1.00 0.78 H new ATOM 0 HD12 ILE A 74 6.515 -2.968 -3.930 1.00 0.78 H new ATOM 0 HD13 ILE A 74 6.487 -2.274 -2.292 1.00 0.78 H new ATOM 1179 N ASP A 75 10.490 -6.262 -2.923 1.00 0.35 N ATOM 1180 CA ASP A 75 10.864 -7.626 -2.460 1.00 0.39 C ATOM 1181 C ASP A 75 12.371 -7.825 -2.550 1.00 0.34 C ATOM 1182 O ASP A 75 13.009 -8.516 -1.775 1.00 0.42 O ATOM 1183 CB ASP A 75 10.116 -8.560 -3.369 1.00 0.51 C ATOM 1184 CG ASP A 75 8.618 -8.561 -3.134 1.00 0.99 C ATOM 1185 OD1 ASP A 75 8.121 -7.734 -2.390 1.00 2.69 O ATOM 1186 OD2 ASP A 75 8.055 -9.439 -3.762 1.00 1.95 O ATOM 0 H ASP A 75 9.939 -6.256 -3.781 1.00 0.35 H new ATOM 0 HA ASP A 75 10.606 -7.802 -1.416 1.00 0.39 H new ATOM 0 HB2 ASP A 75 10.313 -8.282 -4.404 1.00 0.51 H new ATOM 0 HB3 ASP A 75 10.498 -9.572 -3.232 1.00 0.51 H new ATOM 1191 N LYS A 76 12.924 -7.140 -3.510 1.00 0.30 N ATOM 1192 CA LYS A 76 14.385 -7.270 -3.700 1.00 0.35 C ATOM 1193 C LYS A 76 14.929 -6.450 -2.552 1.00 0.32 C ATOM 1194 O LYS A 76 15.819 -6.890 -1.862 1.00 0.33 O ATOM 1195 CB LYS A 76 14.764 -6.695 -5.046 1.00 0.32 C ATOM 1196 CG LYS A 76 16.267 -6.929 -5.275 1.00 0.32 C ATOM 1197 CD LYS A 76 16.529 -8.458 -5.503 1.00 0.52 C ATOM 1198 CE LYS A 76 18.005 -8.733 -5.673 1.00 2.11 C ATOM 1199 NZ LYS A 76 18.660 -8.547 -4.344 1.00 3.52 N ATOM 0 H LYS A 76 12.440 -6.513 -4.153 1.00 0.30 H new ATOM 0 HA LYS A 76 14.766 -8.291 -3.697 1.00 0.35 H new ATOM 0 HB2 LYS A 76 14.183 -7.169 -5.837 1.00 0.32 H new ATOM 0 HB3 LYS A 76 14.538 -5.629 -5.079 1.00 0.32 H new ATOM 0 HG2 LYS A 76 16.607 -6.358 -6.139 1.00 0.32 H new ATOM 0 HG3 LYS A 76 16.836 -6.576 -4.415 1.00 0.32 H new ATOM 0 HD2 LYS A 76 16.144 -9.027 -4.657 1.00 0.52 H new ATOM 0 HD3 LYS A 76 15.988 -8.796 -6.387 1.00 0.52 H new ATOM 0 HE2 LYS A 76 18.165 -9.747 -6.039 1.00 2.11 H new ATOM 0 HE3 LYS A 76 18.437 -8.056 -6.410 1.00 2.11 H new ATOM 0 HZ1 LYS A 76 19.342 -7.764 -4.400 1.00 3.52 H new ATOM 0 HZ2 LYS A 76 17.938 -8.327 -3.629 1.00 3.52 H new ATOM 0 HZ3 LYS A 76 19.157 -9.420 -4.077 1.00 3.52 H new ATOM 1213 N VAL A 77 14.394 -5.262 -2.372 1.00 0.32 N ATOM 1214 CA VAL A 77 14.874 -4.411 -1.237 1.00 0.31 C ATOM 1215 C VAL A 77 14.804 -5.298 0.015 1.00 0.36 C ATOM 1216 O VAL A 77 15.829 -5.483 0.631 1.00 0.43 O ATOM 1217 CB VAL A 77 13.982 -3.167 -1.059 1.00 0.23 C ATOM 1218 CG1 VAL A 77 14.538 -2.375 0.150 1.00 0.27 C ATOM 1219 CG2 VAL A 77 14.127 -2.282 -2.321 1.00 0.20 C ATOM 0 H VAL A 77 13.660 -4.853 -2.950 1.00 0.32 H new ATOM 0 HA VAL A 77 15.885 -4.049 -1.422 1.00 0.31 H new ATOM 0 HB VAL A 77 12.939 -3.446 -0.907 1.00 0.23 H new ATOM 0 HG11 VAL A 77 13.932 -1.483 0.310 1.00 0.27 H new ATOM 0 HG12 VAL A 77 14.505 -3.001 1.041 1.00 0.27 H new ATOM 0 HG13 VAL A 77 15.569 -2.082 -0.050 1.00 0.27 H new ATOM 0 HG21 VAL A 77 13.503 -1.394 -2.217 1.00 0.20 H new ATOM 0 HG22 VAL A 77 15.168 -1.982 -2.437 1.00 0.20 H new ATOM 0 HG23 VAL A 77 13.812 -2.846 -3.199 1.00 0.20 H new ATOM 1229 N GLU A 78 13.654 -5.826 0.357 1.00 0.31 N ATOM 1230 CA GLU A 78 13.554 -6.704 1.557 1.00 0.26 C ATOM 1231 C GLU A 78 14.739 -7.720 1.496 1.00 0.25 C ATOM 1232 O GLU A 78 15.515 -7.779 2.434 1.00 0.28 O ATOM 1233 CB GLU A 78 12.119 -7.334 1.506 1.00 0.25 C ATOM 1234 CG GLU A 78 11.372 -6.827 2.792 1.00 0.78 C ATOM 1235 CD GLU A 78 9.904 -7.240 2.923 1.00 3.14 C ATOM 1236 OE1 GLU A 78 9.743 -8.375 3.334 1.00 4.82 O ATOM 1237 OE2 GLU A 78 9.052 -6.417 2.622 1.00 3.50 O ATOM 0 H GLU A 78 12.779 -5.684 -0.147 1.00 0.31 H new ATOM 0 HA GLU A 78 13.652 -6.197 2.517 1.00 0.26 H new ATOM 0 HB2 GLU A 78 11.591 -7.028 0.603 1.00 0.25 H new ATOM 0 HB3 GLU A 78 12.172 -8.423 1.490 1.00 0.25 H new ATOM 0 HG2 GLU A 78 11.910 -7.190 3.667 1.00 0.78 H new ATOM 0 HG3 GLU A 78 11.426 -5.739 2.814 1.00 0.78 H new ATOM 1244 N GLU A 79 14.867 -8.479 0.433 1.00 0.28 N ATOM 1245 CA GLU A 79 16.010 -9.453 0.339 1.00 0.31 C ATOM 1246 C GLU A 79 17.353 -8.790 0.703 1.00 0.30 C ATOM 1247 O GLU A 79 18.148 -9.258 1.494 1.00 0.33 O ATOM 1248 CB GLU A 79 16.095 -9.990 -1.100 1.00 0.37 C ATOM 1249 CG GLU A 79 15.111 -11.163 -1.311 1.00 0.31 C ATOM 1250 CD GLU A 79 15.603 -12.368 -0.520 1.00 0.77 C ATOM 1251 OE1 GLU A 79 15.312 -12.475 0.662 1.00 1.61 O ATOM 1252 OE2 GLU A 79 16.286 -13.099 -1.211 1.00 1.90 O ATOM 0 H GLU A 79 14.237 -8.469 -0.369 1.00 0.28 H new ATOM 0 HA GLU A 79 15.825 -10.262 1.046 1.00 0.31 H new ATOM 0 HB2 GLU A 79 15.869 -9.190 -1.805 1.00 0.37 H new ATOM 0 HB3 GLU A 79 17.112 -10.321 -1.309 1.00 0.37 H new ATOM 0 HG2 GLU A 79 14.111 -10.880 -0.983 1.00 0.31 H new ATOM 0 HG3 GLU A 79 15.041 -11.410 -2.370 1.00 0.31 H new ATOM 1259 N LEU A 80 17.558 -7.657 0.097 1.00 0.27 N ATOM 1260 CA LEU A 80 18.803 -6.882 0.315 1.00 0.25 C ATOM 1261 C LEU A 80 18.914 -6.517 1.777 1.00 0.31 C ATOM 1262 O LEU A 80 19.954 -6.709 2.352 1.00 0.32 O ATOM 1263 CB LEU A 80 18.762 -5.616 -0.557 1.00 0.24 C ATOM 1264 CG LEU A 80 18.889 -6.013 -2.025 1.00 0.29 C ATOM 1265 CD1 LEU A 80 18.607 -4.812 -2.899 1.00 0.29 C ATOM 1266 CD2 LEU A 80 20.330 -6.432 -2.283 1.00 0.46 C ATOM 0 H LEU A 80 16.900 -7.228 -0.554 1.00 0.27 H new ATOM 0 HA LEU A 80 19.673 -7.477 0.037 1.00 0.25 H new ATOM 0 HB2 LEU A 80 17.829 -5.077 -0.393 1.00 0.24 H new ATOM 0 HB3 LEU A 80 19.572 -4.942 -0.279 1.00 0.24 H new ATOM 0 HG LEU A 80 18.189 -6.819 -2.247 1.00 0.29 H new ATOM 0 HD11 LEU A 80 18.698 -5.096 -3.948 1.00 0.29 H new ATOM 0 HD12 LEU A 80 17.596 -4.451 -2.707 1.00 0.29 H new ATOM 0 HD13 LEU A 80 19.323 -4.022 -2.674 1.00 0.29 H new ATOM 0 HD21 LEU A 80 20.444 -6.720 -3.328 1.00 0.46 H new ATOM 0 HD22 LEU A 80 20.996 -5.598 -2.062 1.00 0.46 H new ATOM 0 HD23 LEU A 80 20.583 -7.278 -1.644 1.00 0.46 H new ATOM 1278 N LYS A 81 17.859 -6.010 2.342 1.00 0.36 N ATOM 1279 CA LYS A 81 17.825 -5.604 3.781 1.00 0.53 C ATOM 1280 C LYS A 81 18.311 -6.801 4.587 1.00 0.60 C ATOM 1281 O LYS A 81 19.252 -6.692 5.349 1.00 0.66 O ATOM 1282 CB LYS A 81 16.342 -5.198 4.098 1.00 0.79 C ATOM 1283 CG LYS A 81 16.213 -4.515 5.495 1.00 1.31 C ATOM 1284 CD LYS A 81 14.759 -3.925 5.668 1.00 1.97 C ATOM 1285 CE LYS A 81 14.641 -2.956 6.882 1.00 2.22 C ATOM 1286 NZ LYS A 81 14.831 -1.548 6.419 1.00 4.81 N ATOM 0 H LYS A 81 16.980 -5.852 1.848 1.00 0.36 H new ATOM 0 HA LYS A 81 18.465 -4.756 4.026 1.00 0.53 H new ATOM 0 HB2 LYS A 81 15.978 -4.519 3.327 1.00 0.79 H new ATOM 0 HB3 LYS A 81 15.708 -6.084 4.067 1.00 0.79 H new ATOM 0 HG2 LYS A 81 16.418 -5.238 6.284 1.00 1.31 H new ATOM 0 HG3 LYS A 81 16.952 -3.720 5.591 1.00 1.31 H new ATOM 0 HD2 LYS A 81 14.476 -3.396 4.758 1.00 1.97 H new ATOM 0 HD3 LYS A 81 14.052 -4.745 5.793 1.00 1.97 H new ATOM 0 HE2 LYS A 81 13.665 -3.066 7.354 1.00 2.22 H new ATOM 0 HE3 LYS A 81 15.389 -3.206 7.634 1.00 2.22 H new ATOM 0 HZ1 LYS A 81 14.184 -0.921 6.939 1.00 4.81 H new ATOM 0 HZ2 LYS A 81 15.813 -1.254 6.594 1.00 4.81 H new ATOM 0 HZ3 LYS A 81 14.628 -1.487 5.401 1.00 4.81 H new ATOM 1300 N LYS A 82 17.648 -7.903 4.364 1.00 0.62 N ATOM 1301 CA LYS A 82 17.986 -9.169 5.062 1.00 0.73 C ATOM 1302 C LYS A 82 19.451 -9.577 4.942 1.00 0.66 C ATOM 1303 O LYS A 82 20.057 -10.058 5.876 1.00 0.75 O ATOM 1304 CB LYS A 82 17.062 -10.251 4.491 1.00 0.98 C ATOM 1305 CG LYS A 82 15.602 -9.883 4.853 1.00 1.18 C ATOM 1306 CD LYS A 82 14.631 -10.931 4.246 1.00 1.66 C ATOM 1307 CE LYS A 82 14.913 -12.347 4.733 1.00 1.36 C ATOM 1308 NZ LYS A 82 14.895 -12.324 6.232 1.00 3.89 N ATOM 0 H LYS A 82 16.868 -7.977 3.711 1.00 0.62 H new ATOM 0 HA LYS A 82 17.835 -9.029 6.132 1.00 0.73 H new ATOM 0 HB2 LYS A 82 17.180 -10.319 3.409 1.00 0.98 H new ATOM 0 HB3 LYS A 82 17.321 -11.227 4.902 1.00 0.98 H new ATOM 0 HG2 LYS A 82 15.484 -9.848 5.936 1.00 1.18 H new ATOM 0 HG3 LYS A 82 15.363 -8.889 4.474 1.00 1.18 H new ATOM 0 HD2 LYS A 82 13.606 -10.661 4.501 1.00 1.66 H new ATOM 0 HD3 LYS A 82 14.707 -10.903 3.159 1.00 1.66 H new ATOM 0 HE2 LYS A 82 14.162 -13.039 4.352 1.00 1.36 H new ATOM 0 HE3 LYS A 82 15.880 -12.692 4.367 1.00 1.36 H new ATOM 0 HZ1 LYS A 82 14.830 -13.297 6.593 1.00 3.89 H new ATOM 0 HZ2 LYS A 82 15.769 -11.882 6.583 1.00 3.89 H new ATOM 0 HZ3 LYS A 82 14.074 -11.777 6.561 1.00 3.89 H new ATOM 1322 N LYS A 83 19.948 -9.368 3.768 1.00 0.56 N ATOM 1323 CA LYS A 83 21.376 -9.690 3.404 1.00 0.52 C ATOM 1324 C LYS A 83 22.466 -8.689 3.845 1.00 0.46 C ATOM 1325 O LYS A 83 23.475 -9.079 4.389 1.00 0.51 O ATOM 1326 CB LYS A 83 21.420 -9.850 1.864 1.00 0.58 C ATOM 1327 CG LYS A 83 20.524 -11.012 1.450 1.00 0.85 C ATOM 1328 CD LYS A 83 20.123 -10.919 -0.053 1.00 1.02 C ATOM 1329 CE LYS A 83 19.194 -12.129 -0.257 1.00 1.66 C ATOM 1330 NZ LYS A 83 18.848 -12.292 -1.694 1.00 2.60 N ATOM 0 H LYS A 83 19.410 -8.969 2.999 1.00 0.56 H new ATOM 0 HA LYS A 83 21.629 -10.593 3.960 1.00 0.52 H new ATOM 0 HB2 LYS A 83 21.088 -8.930 1.382 1.00 0.58 H new ATOM 0 HB3 LYS A 83 22.443 -10.030 1.535 1.00 0.58 H new ATOM 0 HG2 LYS A 83 21.041 -11.954 1.632 1.00 0.85 H new ATOM 0 HG3 LYS A 83 19.626 -11.018 2.067 1.00 0.85 H new ATOM 0 HD2 LYS A 83 19.614 -9.981 -0.274 1.00 1.02 H new ATOM 0 HD3 LYS A 83 20.996 -10.969 -0.704 1.00 1.02 H new ATOM 0 HE2 LYS A 83 19.681 -13.033 0.109 1.00 1.66 H new ATOM 0 HE3 LYS A 83 18.284 -11.997 0.328 1.00 1.66 H new ATOM 0 HZ1 LYS A 83 17.816 -12.373 -1.796 1.00 2.60 H new ATOM 0 HZ2 LYS A 83 19.185 -11.466 -2.228 1.00 2.60 H new ATOM 0 HZ3 LYS A 83 19.301 -13.152 -2.065 1.00 2.60 H new ATOM 1344 N TYR A 84 22.229 -7.439 3.598 1.00 0.49 N ATOM 1345 CA TYR A 84 23.162 -6.334 3.933 1.00 0.75 C ATOM 1346 C TYR A 84 22.994 -5.686 5.326 1.00 1.09 C ATOM 1347 O TYR A 84 23.961 -5.105 5.786 1.00 2.48 O ATOM 1348 CB TYR A 84 22.984 -5.353 2.747 1.00 0.90 C ATOM 1349 CG TYR A 84 23.490 -6.098 1.482 1.00 0.76 C ATOM 1350 CD1 TYR A 84 24.832 -6.130 1.168 1.00 0.84 C ATOM 1351 CD2 TYR A 84 22.615 -6.770 0.647 1.00 0.79 C ATOM 1352 CE1 TYR A 84 25.282 -6.817 0.055 1.00 0.74 C ATOM 1353 CE2 TYR A 84 23.063 -7.456 -0.465 1.00 0.85 C ATOM 1354 CZ TYR A 84 24.398 -7.479 -0.764 1.00 0.71 C ATOM 1355 OH TYR A 84 24.843 -8.153 -1.882 1.00 0.72 O ATOM 0 H TYR A 84 21.371 -7.119 3.149 1.00 0.49 H new ATOM 0 HA TYR A 84 24.182 -6.703 4.041 1.00 0.75 H new ATOM 0 HB2 TYR A 84 21.939 -5.064 2.636 1.00 0.90 H new ATOM 0 HB3 TYR A 84 23.552 -4.437 2.912 1.00 0.90 H new ATOM 0 HD1 TYR A 84 25.540 -5.613 1.798 1.00 0.84 H new ATOM 0 HD2 TYR A 84 21.558 -6.758 0.870 1.00 0.79 H new ATOM 0 HE1 TYR A 84 26.338 -6.834 -0.173 1.00 0.74 H new ATOM 0 HE2 TYR A 84 22.359 -7.975 -1.099 1.00 0.85 H new ATOM 0 HH TYR A 84 24.117 -8.703 -2.243 1.00 0.72 H new ATOM 1365 N GLY A 85 21.854 -5.750 5.986 1.00 0.11 N ATOM 1366 CA GLY A 85 21.758 -5.103 7.353 1.00 0.72 C ATOM 1367 C GLY A 85 21.147 -3.717 7.585 1.00 0.49 C ATOM 1368 O GLY A 85 21.688 -2.992 8.401 1.00 0.78 O ATOM 0 H GLY A 85 21.005 -6.208 5.653 1.00 0.11 H new ATOM 0 HA2 GLY A 85 21.200 -5.795 7.983 1.00 0.72 H new ATOM 0 HA3 GLY A 85 22.774 -5.062 7.747 1.00 0.72 H new ATOM 1372 N ILE A 86 20.108 -3.318 6.898 1.00 0.58 N ATOM 1373 CA ILE A 86 19.505 -1.967 7.154 1.00 0.72 C ATOM 1374 C ILE A 86 18.019 -2.154 7.592 1.00 1.62 C ATOM 1375 O ILE A 86 17.296 -1.173 7.630 1.00 2.50 O ATOM 1376 CB ILE A 86 19.690 -1.180 5.813 1.00 0.70 C ATOM 1377 CG1 ILE A 86 19.291 0.297 5.999 1.00 0.81 C ATOM 1378 CG2 ILE A 86 18.796 -1.818 4.712 1.00 1.24 C ATOM 1379 CD1 ILE A 86 19.607 1.115 4.733 1.00 1.24 C ATOM 1380 OXT ILE A 86 17.666 -3.288 7.880 1.00 3.17 O ATOM 0 H ILE A 86 19.648 -3.866 6.171 1.00 0.58 H new ATOM 0 HA ILE A 86 19.974 -1.407 7.963 1.00 0.72 H new ATOM 0 HB ILE A 86 20.738 -1.230 5.517 1.00 0.70 H new ATOM 0 HG12 ILE A 86 18.227 0.365 6.224 1.00 0.81 H new ATOM 0 HG13 ILE A 86 19.825 0.718 6.851 1.00 0.81 H new ATOM 0 HG21 ILE A 86 18.924 -1.271 3.778 1.00 1.24 H new ATOM 0 HG22 ILE A 86 19.086 -2.859 4.566 1.00 1.24 H new ATOM 0 HG23 ILE A 86 17.751 -1.772 5.020 1.00 1.24 H new ATOM 0 HD11 ILE A 86 19.316 2.154 4.889 1.00 1.24 H new ATOM 0 HD12 ILE A 86 20.676 1.065 4.525 1.00 1.24 H new ATOM 0 HD13 ILE A 86 19.053 0.706 3.888 1.00 1.24 H new