USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 598 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 59 ASN : amide:sc= -1.45 K(o=-0.96,f=-15!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -122:sc= 0.488 (180deg=-4.56!) USER MOD Set 2.1: A 29 SER OG : rot -85:sc= 0.81 USER MOD Set 2.2: A 30 HIS : no HE2:sc= -2.01 X(o=-7.7,f=-8.1!) USER MOD Set 2.3: A 76 LYS NZ :NH3+ 172:sc= -6.53! (180deg=-3.95!) USER MOD Set 3.1: A 28 TYR OH : rot -132:sc= 2.09 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -155:sc= 1.03 (180deg=-0.432!) USER MOD Single : A 7 LYS NZ :NH3+ -103:sc= -0.915 (180deg=-2.97!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -2! C(o=-2!,f=-6.4!) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -2.9! (180deg=-5.44!) USER MOD Single : A 17 THR OG1 : rot 34:sc= 1.12 USER MOD Single : A 18 LYS NZ :NH3+ -132:sc= -1.6! (180deg=-3.59!) USER MOD Single : A 24 MET CE :methyl -119:sc=-0.00361 (180deg=-0.342) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.55! C(o=-1.6!,f=-5.4!) USER MOD Single : A 35 THR OG1 : rot -86:sc= 0.871 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 110:sc= -0.0691 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.284 (180deg=-0.659) USER MOD Single : A 54 LYS NZ :NH3+ -144:sc=-0.00244 (180deg=-0.204) USER MOD Single : A 64 THR OG1 : rot 78:sc= 1.15 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= -1.07! (180deg=-7.4!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -129:sc= -0.483 (180deg=-2.63) USER MOD Single : A 73 TYR OH : rot 80:sc= -1.55 USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= -0.401 (180deg=-0.632) USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= -0.165 (180deg=-0.18) USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= 1.74 (180deg=-0.369) USER MOD Single : A 84 TYR OH : rot -178:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 5.095 1.694 -0.983 1.00 0.15 N ATOM 42 CA GLU A 4 5.400 0.260 -0.816 1.00 0.53 C ATOM 43 C GLU A 4 6.817 0.189 -1.343 1.00 0.35 C ATOM 44 O GLU A 4 7.810 -0.112 -0.719 1.00 0.35 O ATOM 45 CB GLU A 4 4.437 -0.611 -1.651 1.00 1.06 C ATOM 46 CG GLU A 4 3.636 -1.637 -0.776 1.00 1.50 C ATOM 47 CD GLU A 4 2.948 -2.680 -1.689 1.00 3.13 C ATOM 48 OE1 GLU A 4 3.695 -3.270 -2.455 1.00 4.10 O ATOM 49 OE2 GLU A 4 1.740 -2.832 -1.576 1.00 3.56 O ATOM 0 HA GLU A 4 5.292 -0.107 0.205 1.00 0.53 H new ATOM 0 HB2 GLU A 4 3.736 0.035 -2.180 1.00 1.06 H new ATOM 0 HB3 GLU A 4 5.006 -1.151 -2.408 1.00 1.06 H new ATOM 0 HG2 GLU A 4 4.308 -2.137 -0.079 1.00 1.50 H new ATOM 0 HG3 GLU A 4 2.889 -1.114 -0.179 1.00 1.50 H new ATOM 56 N PHE A 5 6.803 0.559 -2.573 1.00 0.22 N ATOM 57 CA PHE A 5 8.007 0.605 -3.413 1.00 0.08 C ATOM 58 C PHE A 5 8.825 1.891 -3.215 1.00 0.15 C ATOM 59 O PHE A 5 10.025 1.791 -3.095 1.00 0.15 O ATOM 60 CB PHE A 5 7.417 0.395 -4.770 1.00 0.15 C ATOM 61 CG PHE A 5 8.401 0.815 -5.846 1.00 0.06 C ATOM 62 CD1 PHE A 5 8.679 2.140 -6.069 1.00 1.15 C ATOM 63 CD2 PHE A 5 9.035 -0.140 -6.590 1.00 1.21 C ATOM 64 CE1 PHE A 5 9.587 2.493 -7.031 1.00 1.20 C ATOM 65 CE2 PHE A 5 9.936 0.185 -7.552 1.00 1.19 C ATOM 66 CZ PHE A 5 10.225 1.518 -7.785 1.00 0.08 C ATOM 0 H PHE A 5 5.954 0.849 -3.058 1.00 0.22 H new ATOM 0 HA PHE A 5 8.770 -0.138 -3.181 1.00 0.08 H new ATOM 0 HB2 PHE A 5 7.152 -0.654 -4.900 1.00 0.15 H new ATOM 0 HB3 PHE A 5 6.496 0.970 -4.866 1.00 0.15 H new ATOM 0 HD1 PHE A 5 8.183 2.903 -5.487 1.00 1.15 H new ATOM 0 HD2 PHE A 5 8.813 -1.181 -6.408 1.00 1.21 H new ATOM 0 HE1 PHE A 5 9.808 3.536 -7.204 1.00 1.20 H new ATOM 0 HE2 PHE A 5 10.422 -0.588 -8.129 1.00 1.19 H new ATOM 0 HZ PHE A 5 10.939 1.797 -8.545 1.00 0.08 H new ATOM 76 N ASP A 6 8.223 3.058 -3.201 1.00 0.16 N ATOM 77 CA ASP A 6 8.998 4.323 -2.993 1.00 0.12 C ATOM 78 C ASP A 6 9.936 4.101 -1.770 1.00 0.04 C ATOM 79 O ASP A 6 11.131 4.339 -1.743 1.00 0.07 O ATOM 80 CB ASP A 6 7.919 5.385 -2.777 1.00 0.20 C ATOM 81 CG ASP A 6 6.872 5.342 -3.871 1.00 0.43 C ATOM 82 OD1 ASP A 6 7.072 5.973 -4.886 1.00 0.82 O ATOM 83 OD2 ASP A 6 5.881 4.663 -3.664 1.00 1.56 O ATOM 0 H ASP A 6 7.219 3.188 -3.326 1.00 0.16 H new ATOM 0 HA ASP A 6 9.645 4.628 -3.815 1.00 0.12 H new ATOM 0 HB2 ASP A 6 7.442 5.229 -1.809 1.00 0.20 H new ATOM 0 HB3 ASP A 6 8.379 6.373 -2.751 1.00 0.20 H new ATOM 88 N LYS A 7 9.230 3.615 -0.784 1.00 0.05 N ATOM 89 CA LYS A 7 9.827 3.267 0.546 1.00 0.13 C ATOM 90 C LYS A 7 11.069 2.432 0.175 1.00 0.10 C ATOM 91 O LYS A 7 12.183 2.791 0.490 1.00 0.09 O ATOM 92 CB LYS A 7 8.781 2.446 1.362 1.00 0.23 C ATOM 93 CG LYS A 7 9.409 1.957 2.713 1.00 0.35 C ATOM 94 CD LYS A 7 9.300 3.077 3.798 1.00 1.04 C ATOM 95 CE LYS A 7 10.174 2.784 5.042 1.00 1.59 C ATOM 96 NZ LYS A 7 11.595 2.931 4.623 1.00 2.00 N ATOM 0 H LYS A 7 8.227 3.438 -0.846 1.00 0.05 H new ATOM 0 HA LYS A 7 10.097 4.122 1.165 1.00 0.13 H new ATOM 0 HB2 LYS A 7 7.903 3.060 1.562 1.00 0.23 H new ATOM 0 HB3 LYS A 7 8.445 1.589 0.778 1.00 0.23 H new ATOM 0 HG2 LYS A 7 8.897 1.058 3.056 1.00 0.35 H new ATOM 0 HG3 LYS A 7 10.455 1.690 2.560 1.00 0.35 H new ATOM 0 HD2 LYS A 7 9.601 4.030 3.363 1.00 1.04 H new ATOM 0 HD3 LYS A 7 8.259 3.181 4.105 1.00 1.04 H new ATOM 0 HE2 LYS A 7 9.937 3.476 5.851 1.00 1.59 H new ATOM 0 HE3 LYS A 7 9.985 1.778 5.417 1.00 1.59 H new ATOM 0 HZ1 LYS A 7 12.018 1.990 4.493 1.00 2.00 H new ATOM 0 HZ2 LYS A 7 11.640 3.457 3.727 1.00 2.00 H new ATOM 0 HZ3 LYS A 7 12.121 3.449 5.355 1.00 2.00 H new ATOM 110 N ALA A 8 10.849 1.340 -0.506 1.00 0.11 N ATOM 111 CA ALA A 8 12.014 0.489 -0.907 1.00 0.11 C ATOM 112 C ALA A 8 13.097 1.349 -1.640 1.00 0.14 C ATOM 113 O ALA A 8 14.256 1.355 -1.268 1.00 0.15 O ATOM 114 CB ALA A 8 11.445 -0.626 -1.784 1.00 0.11 C ATOM 0 H ALA A 8 9.932 1.002 -0.799 1.00 0.11 H new ATOM 0 HA ALA A 8 12.524 0.057 -0.046 1.00 0.11 H new ATOM 0 HB1 ALA A 8 12.253 -1.282 -2.108 1.00 0.11 H new ATOM 0 HB2 ALA A 8 10.717 -1.202 -1.213 1.00 0.11 H new ATOM 0 HB3 ALA A 8 10.959 -0.190 -2.657 1.00 0.11 H new ATOM 120 N ALA A 9 12.714 2.071 -2.669 1.00 0.18 N ATOM 121 CA ALA A 9 13.691 2.908 -3.398 1.00 0.18 C ATOM 122 C ALA A 9 14.373 4.012 -2.580 1.00 0.34 C ATOM 123 O ALA A 9 15.202 4.726 -3.114 1.00 0.73 O ATOM 124 CB ALA A 9 12.952 3.487 -4.574 1.00 0.42 C ATOM 0 H ALA A 9 11.760 2.109 -3.028 1.00 0.18 H new ATOM 0 HA ALA A 9 14.527 2.271 -3.687 1.00 0.18 H new ATOM 0 HB1 ALA A 9 13.627 4.118 -5.153 1.00 0.42 H new ATOM 0 HB2 ALA A 9 12.581 2.679 -5.204 1.00 0.42 H new ATOM 0 HB3 ALA A 9 12.113 4.084 -4.218 1.00 0.42 H new ATOM 130 N GLU A 10 14.006 4.098 -1.331 1.00 0.16 N ATOM 131 CA GLU A 10 14.571 5.092 -0.404 1.00 0.25 C ATOM 132 C GLU A 10 15.499 4.145 0.341 1.00 0.21 C ATOM 133 O GLU A 10 16.700 4.321 0.350 1.00 0.23 O ATOM 134 CB GLU A 10 13.413 5.635 0.456 1.00 0.32 C ATOM 135 CG GLU A 10 13.599 5.375 1.979 1.00 1.78 C ATOM 136 CD GLU A 10 12.435 5.891 2.812 1.00 2.26 C ATOM 137 OE1 GLU A 10 12.220 7.088 2.826 1.00 2.05 O ATOM 138 OE2 GLU A 10 11.813 5.027 3.406 1.00 3.54 O ATOM 0 H GLU A 10 13.306 3.488 -0.908 1.00 0.16 H new ATOM 0 HA GLU A 10 15.064 5.981 -0.797 1.00 0.25 H new ATOM 0 HB2 GLU A 10 13.317 6.708 0.287 1.00 0.32 H new ATOM 0 HB3 GLU A 10 12.480 5.176 0.128 1.00 0.32 H new ATOM 0 HG2 GLU A 10 13.715 4.305 2.149 1.00 1.78 H new ATOM 0 HG3 GLU A 10 14.520 5.852 2.315 1.00 1.78 H new ATOM 145 N GLU A 11 14.896 3.144 0.920 1.00 0.16 N ATOM 146 CA GLU A 11 15.665 2.143 1.690 1.00 0.16 C ATOM 147 C GLU A 11 16.936 1.665 0.987 1.00 0.16 C ATOM 148 O GLU A 11 18.041 1.869 1.444 1.00 0.25 O ATOM 149 CB GLU A 11 14.706 1.011 1.973 1.00 0.13 C ATOM 150 CG GLU A 11 13.758 1.460 3.102 1.00 0.13 C ATOM 151 CD GLU A 11 13.857 0.553 4.307 1.00 0.35 C ATOM 152 OE1 GLU A 11 14.909 0.027 4.576 1.00 1.84 O ATOM 153 OE2 GLU A 11 12.839 0.394 4.952 1.00 1.07 O ATOM 0 H GLU A 11 13.890 2.980 0.888 1.00 0.16 H new ATOM 0 HA GLU A 11 16.041 2.590 2.610 1.00 0.16 H new ATOM 0 HB2 GLU A 11 14.139 0.759 1.077 1.00 0.13 H new ATOM 0 HB3 GLU A 11 15.251 0.114 2.267 1.00 0.13 H new ATOM 0 HG2 GLU A 11 13.999 2.482 3.395 1.00 0.13 H new ATOM 0 HG3 GLU A 11 12.732 1.467 2.735 1.00 0.13 H new ATOM 160 N VAL A 12 16.739 1.035 -0.134 1.00 0.11 N ATOM 161 CA VAL A 12 17.834 0.501 -0.953 1.00 0.11 C ATOM 162 C VAL A 12 18.919 1.548 -1.165 1.00 0.12 C ATOM 163 O VAL A 12 20.075 1.333 -0.862 1.00 0.12 O ATOM 164 CB VAL A 12 17.179 0.031 -2.251 1.00 0.11 C ATOM 165 CG1 VAL A 12 17.129 1.013 -3.384 1.00 0.13 C ATOM 166 CG2 VAL A 12 17.843 -1.212 -2.660 1.00 0.12 C ATOM 0 H VAL A 12 15.812 0.866 -0.525 1.00 0.11 H new ATOM 0 HA VAL A 12 18.350 -0.330 -0.472 1.00 0.11 H new ATOM 0 HB VAL A 12 16.123 -0.112 -2.021 1.00 0.11 H new ATOM 0 HG11 VAL A 12 16.640 0.553 -4.243 1.00 0.13 H new ATOM 0 HG12 VAL A 12 16.568 1.895 -3.076 1.00 0.13 H new ATOM 0 HG13 VAL A 12 18.143 1.305 -3.657 1.00 0.13 H new ATOM 0 HG21 VAL A 12 17.397 -1.575 -3.586 1.00 0.12 H new ATOM 0 HG22 VAL A 12 18.905 -1.022 -2.818 1.00 0.12 H new ATOM 0 HG23 VAL A 12 17.721 -1.963 -1.880 1.00 0.12 H new ATOM 176 N LYS A 13 18.566 2.695 -1.674 1.00 0.35 N ATOM 177 CA LYS A 13 19.574 3.749 -1.901 1.00 0.40 C ATOM 178 C LYS A 13 20.269 4.114 -0.559 1.00 0.32 C ATOM 179 O LYS A 13 21.316 4.717 -0.539 1.00 0.36 O ATOM 180 CB LYS A 13 18.870 4.978 -2.433 1.00 0.51 C ATOM 181 CG LYS A 13 18.189 4.771 -3.780 1.00 0.77 C ATOM 182 CD LYS A 13 17.723 6.178 -4.312 1.00 1.15 C ATOM 183 CE LYS A 13 18.964 6.861 -4.920 1.00 0.97 C ATOM 184 NZ LYS A 13 18.621 8.076 -5.715 1.00 1.57 N ATOM 0 H LYS A 13 17.614 2.943 -1.942 1.00 0.35 H new ATOM 0 HA LYS A 13 20.322 3.394 -2.610 1.00 0.40 H new ATOM 0 HB2 LYS A 13 18.124 5.299 -1.706 1.00 0.51 H new ATOM 0 HB3 LYS A 13 19.594 5.787 -2.525 1.00 0.51 H new ATOM 0 HG2 LYS A 13 18.876 4.305 -4.486 1.00 0.77 H new ATOM 0 HG3 LYS A 13 17.335 4.101 -3.676 1.00 0.77 H new ATOM 0 HD2 LYS A 13 16.938 6.067 -5.060 1.00 1.15 H new ATOM 0 HD3 LYS A 13 17.309 6.779 -3.502 1.00 1.15 H new ATOM 0 HE2 LYS A 13 19.650 7.137 -4.120 1.00 0.97 H new ATOM 0 HE3 LYS A 13 19.489 6.150 -5.558 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 19.491 8.496 -6.101 1.00 1.57 H new ATOM 0 HZ2 LYS A 13 17.988 7.812 -6.497 1.00 1.57 H new ATOM 0 HZ3 LYS A 13 18.145 8.769 -5.103 1.00 1.57 H new ATOM 198 N HIS A 14 19.655 3.735 0.527 1.00 0.34 N ATOM 199 CA HIS A 14 20.219 4.030 1.889 1.00 0.40 C ATOM 200 C HIS A 14 20.973 2.832 2.484 1.00 0.38 C ATOM 201 O HIS A 14 21.518 2.961 3.564 1.00 0.54 O ATOM 202 CB HIS A 14 19.093 4.417 2.909 1.00 0.50 C ATOM 203 CG HIS A 14 18.429 5.770 2.670 1.00 0.52 C ATOM 204 ND1 HIS A 14 17.244 5.907 2.194 1.00 0.49 N ATOM 205 CD2 HIS A 14 18.858 7.067 2.881 1.00 0.60 C ATOM 206 CE1 HIS A 14 16.934 7.163 2.108 1.00 0.54 C ATOM 207 NE2 HIS A 14 17.916 7.922 2.527 1.00 0.60 N ATOM 0 H HIS A 14 18.772 3.225 0.536 1.00 0.34 H new ATOM 0 HA HIS A 14 20.906 4.862 1.738 1.00 0.40 H new ATOM 0 HB2 HIS A 14 18.324 3.645 2.885 1.00 0.50 H new ATOM 0 HB3 HIS A 14 19.518 4.412 3.913 1.00 0.50 H new ATOM 0 HD1 HIS A 14 16.633 5.137 1.922 1.00 0.49 H new ATOM 0 HD2 HIS A 14 19.824 7.341 3.278 1.00 0.60 H new ATOM 0 HE1 HIS A 14 15.990 7.535 1.739 1.00 0.54 H new ATOM 215 N LEU A 15 21.012 1.700 1.828 1.00 0.37 N ATOM 216 CA LEU A 15 21.747 0.550 2.402 1.00 0.56 C ATOM 217 C LEU A 15 23.115 1.051 2.786 1.00 0.75 C ATOM 218 O LEU A 15 23.750 1.674 1.950 1.00 1.02 O ATOM 219 CB LEU A 15 21.882 -0.487 1.356 1.00 0.55 C ATOM 220 CG LEU A 15 20.542 -0.960 0.905 1.00 0.29 C ATOM 221 CD1 LEU A 15 20.756 -1.711 -0.375 1.00 0.36 C ATOM 222 CD2 LEU A 15 19.922 -1.850 1.955 1.00 0.51 C ATOM 0 H LEU A 15 20.567 1.530 0.926 1.00 0.37 H new ATOM 0 HA LEU A 15 21.230 0.131 3.265 1.00 0.56 H new ATOM 0 HB2 LEU A 15 22.435 -0.085 0.508 1.00 0.55 H new ATOM 0 HB3 LEU A 15 22.458 -1.327 1.743 1.00 0.55 H new ATOM 0 HG LEU A 15 19.860 -0.124 0.749 1.00 0.29 H new ATOM 0 HD11 LEU A 15 19.799 -2.078 -0.746 1.00 0.36 H new ATOM 0 HD12 LEU A 15 21.201 -1.047 -1.116 1.00 0.36 H new ATOM 0 HD13 LEU A 15 21.423 -2.554 -0.195 1.00 0.36 H new ATOM 0 HD21 LEU A 15 18.944 -2.189 1.613 1.00 0.51 H new ATOM 0 HD22 LEU A 15 20.565 -2.713 2.126 1.00 0.51 H new ATOM 0 HD23 LEU A 15 19.809 -1.292 2.884 1.00 0.51 H new ATOM 234 N LYS A 16 23.574 0.800 3.981 1.00 0.67 N ATOM 235 CA LYS A 16 24.930 1.320 4.287 1.00 0.61 C ATOM 236 C LYS A 16 25.981 0.781 3.288 1.00 0.56 C ATOM 237 O LYS A 16 27.136 1.138 3.372 1.00 0.62 O ATOM 238 CB LYS A 16 25.212 0.938 5.768 1.00 0.60 C ATOM 239 CG LYS A 16 24.332 1.889 6.641 1.00 1.42 C ATOM 240 CD LYS A 16 24.588 1.676 8.159 1.00 1.58 C ATOM 241 CE LYS A 16 23.741 0.542 8.744 1.00 2.08 C ATOM 242 NZ LYS A 16 22.305 0.962 8.726 1.00 2.86 N ATOM 0 H LYS A 16 23.098 0.285 4.722 1.00 0.67 H new ATOM 0 HA LYS A 16 24.991 2.402 4.172 1.00 0.61 H new ATOM 0 HB2 LYS A 16 24.960 -0.106 5.955 1.00 0.60 H new ATOM 0 HB3 LYS A 16 26.269 1.058 6.006 1.00 0.60 H new ATOM 0 HG2 LYS A 16 24.545 2.925 6.378 1.00 1.42 H new ATOM 0 HG3 LYS A 16 23.279 1.714 6.421 1.00 1.42 H new ATOM 0 HD2 LYS A 16 25.644 1.456 8.319 1.00 1.58 H new ATOM 0 HD3 LYS A 16 24.371 2.600 8.694 1.00 1.58 H new ATOM 0 HE2 LYS A 16 23.876 -0.370 8.162 1.00 2.08 H new ATOM 0 HE3 LYS A 16 24.058 0.320 9.763 1.00 2.08 H new ATOM 0 HZ1 LYS A 16 21.705 0.138 8.518 1.00 2.86 H new ATOM 0 HZ2 LYS A 16 22.046 1.354 9.654 1.00 2.86 H new ATOM 0 HZ3 LYS A 16 22.164 1.686 7.993 1.00 2.86 H new ATOM 256 N THR A 17 25.598 -0.078 2.371 1.00 0.58 N ATOM 257 CA THR A 17 26.580 -0.615 1.377 1.00 0.65 C ATOM 258 C THR A 17 26.151 -1.079 -0.019 1.00 0.72 C ATOM 259 O THR A 17 25.410 -2.032 -0.109 1.00 0.84 O ATOM 260 CB THR A 17 27.329 -1.783 2.046 1.00 0.57 C ATOM 261 OG1 THR A 17 28.427 -1.175 2.717 1.00 0.66 O ATOM 262 CG2 THR A 17 27.992 -2.784 1.091 1.00 0.62 C ATOM 0 H THR A 17 24.646 -0.430 2.269 1.00 0.58 H new ATOM 0 HA THR A 17 27.154 0.281 1.138 1.00 0.65 H new ATOM 0 HB THR A 17 26.597 -2.327 2.643 1.00 0.57 H new ATOM 0 HG1 THR A 17 28.161 -0.290 3.045 1.00 0.66 H new ATOM 0 HG21 THR A 17 28.490 -3.563 1.669 1.00 0.62 H new ATOM 0 HG22 THR A 17 27.233 -3.235 0.452 1.00 0.62 H new ATOM 0 HG23 THR A 17 28.725 -2.266 0.473 1.00 0.62 H new ATOM 270 N LYS A 18 26.598 -0.375 -1.040 1.00 0.64 N ATOM 271 CA LYS A 18 26.367 -0.651 -2.481 1.00 0.70 C ATOM 272 C LYS A 18 26.419 -2.216 -2.613 1.00 0.55 C ATOM 273 O LYS A 18 27.492 -2.790 -2.631 1.00 0.66 O ATOM 274 CB LYS A 18 27.528 0.158 -3.148 1.00 0.99 C ATOM 275 CG LYS A 18 27.699 0.019 -4.677 1.00 1.75 C ATOM 276 CD LYS A 18 27.981 -1.441 -4.997 1.00 1.79 C ATOM 277 CE LYS A 18 28.459 -1.662 -6.389 1.00 2.84 C ATOM 278 NZ LYS A 18 28.247 -3.104 -6.607 1.00 3.09 N ATOM 0 H LYS A 18 27.168 0.459 -0.899 1.00 0.64 H new ATOM 0 HA LYS A 18 25.426 -0.355 -2.946 1.00 0.70 H new ATOM 0 HB2 LYS A 18 27.379 1.213 -2.920 1.00 0.99 H new ATOM 0 HB3 LYS A 18 28.463 -0.141 -2.675 1.00 0.99 H new ATOM 0 HG2 LYS A 18 26.798 0.353 -5.191 1.00 1.75 H new ATOM 0 HG3 LYS A 18 28.517 0.649 -5.026 1.00 1.75 H new ATOM 0 HD2 LYS A 18 28.729 -1.820 -4.300 1.00 1.79 H new ATOM 0 HD3 LYS A 18 27.073 -2.022 -4.837 1.00 1.79 H new ATOM 0 HE2 LYS A 18 27.897 -1.062 -7.105 1.00 2.84 H new ATOM 0 HE3 LYS A 18 29.509 -1.390 -6.500 1.00 2.84 H new ATOM 0 HZ1 LYS A 18 29.107 -3.524 -7.014 1.00 3.09 H new ATOM 0 HZ2 LYS A 18 28.034 -3.565 -5.699 1.00 3.09 H new ATOM 0 HZ3 LYS A 18 27.451 -3.243 -7.261 1.00 3.09 H new ATOM 292 N PRO A 19 25.277 -2.851 -2.678 1.00 0.37 N ATOM 293 CA PRO A 19 25.191 -4.335 -2.801 1.00 0.31 C ATOM 294 C PRO A 19 26.011 -4.996 -3.919 1.00 0.37 C ATOM 295 O PRO A 19 26.674 -4.343 -4.703 1.00 0.44 O ATOM 296 CB PRO A 19 23.692 -4.543 -2.907 1.00 0.17 C ATOM 297 CG PRO A 19 23.171 -3.351 -2.041 1.00 0.18 C ATOM 298 CD PRO A 19 23.939 -2.210 -2.616 1.00 0.32 C ATOM 0 HA PRO A 19 25.659 -4.840 -1.956 1.00 0.31 H new ATOM 0 HB2 PRO A 19 23.339 -4.491 -3.937 1.00 0.17 H new ATOM 0 HB3 PRO A 19 23.380 -5.509 -2.511 1.00 0.17 H new ATOM 0 HG2 PRO A 19 22.094 -3.212 -2.139 1.00 0.18 H new ATOM 0 HG3 PRO A 19 23.379 -3.493 -0.980 1.00 0.18 H new ATOM 0 HD2 PRO A 19 23.571 -1.904 -3.595 1.00 0.32 H new ATOM 0 HD3 PRO A 19 23.923 -1.326 -1.979 1.00 0.32 H new ATOM 306 N ALA A 20 25.965 -6.303 -4.003 1.00 0.37 N ATOM 307 CA ALA A 20 26.750 -6.984 -5.081 1.00 0.47 C ATOM 308 C ALA A 20 26.130 -6.581 -6.436 1.00 0.34 C ATOM 309 O ALA A 20 24.927 -6.652 -6.633 1.00 0.30 O ATOM 310 CB ALA A 20 26.660 -8.502 -4.873 1.00 0.64 C ATOM 0 H ALA A 20 25.431 -6.917 -3.388 1.00 0.37 H new ATOM 0 HA ALA A 20 27.800 -6.693 -5.057 1.00 0.47 H new ATOM 0 HB1 ALA A 20 27.228 -9.010 -5.652 1.00 0.64 H new ATOM 0 HB2 ALA A 20 27.071 -8.761 -3.897 1.00 0.64 H new ATOM 0 HB3 ALA A 20 25.617 -8.815 -4.922 1.00 0.64 H new ATOM 316 N ASP A 21 26.958 -6.154 -7.346 1.00 0.33 N ATOM 317 CA ASP A 21 26.439 -5.746 -8.676 1.00 0.29 C ATOM 318 C ASP A 21 25.330 -6.661 -9.210 1.00 0.35 C ATOM 319 O ASP A 21 24.391 -6.125 -9.734 1.00 0.34 O ATOM 320 CB ASP A 21 27.678 -5.667 -9.544 1.00 0.31 C ATOM 321 CG ASP A 21 28.503 -4.581 -8.912 1.00 0.21 C ATOM 322 OD1 ASP A 21 28.171 -3.450 -9.227 1.00 1.04 O ATOM 323 OD2 ASP A 21 29.384 -4.897 -8.130 1.00 0.74 O ATOM 0 H ASP A 21 27.967 -6.071 -7.226 1.00 0.33 H new ATOM 0 HA ASP A 21 25.919 -4.788 -8.646 1.00 0.29 H new ATOM 0 HB2 ASP A 21 28.214 -6.616 -9.560 1.00 0.31 H new ATOM 0 HB3 ASP A 21 27.426 -5.426 -10.577 1.00 0.31 H new ATOM 328 N GLU A 22 25.400 -7.962 -9.099 1.00 0.42 N ATOM 329 CA GLU A 22 24.297 -8.834 -9.615 1.00 0.46 C ATOM 330 C GLU A 22 22.946 -8.510 -8.871 1.00 0.43 C ATOM 331 O GLU A 22 21.862 -8.406 -9.429 1.00 0.42 O ATOM 332 CB GLU A 22 24.684 -10.324 -9.381 1.00 0.49 C ATOM 333 CG GLU A 22 25.915 -10.758 -10.242 1.00 0.54 C ATOM 334 CD GLU A 22 26.322 -12.248 -10.046 1.00 0.74 C ATOM 335 OE1 GLU A 22 25.848 -12.872 -9.106 1.00 1.15 O ATOM 336 OE2 GLU A 22 27.114 -12.681 -10.873 1.00 1.36 O ATOM 0 H GLU A 22 26.178 -8.463 -8.671 1.00 0.42 H new ATOM 0 HA GLU A 22 24.156 -8.648 -10.680 1.00 0.46 H new ATOM 0 HB2 GLU A 22 24.909 -10.477 -8.326 1.00 0.49 H new ATOM 0 HB3 GLU A 22 23.832 -10.961 -9.621 1.00 0.49 H new ATOM 0 HG2 GLU A 22 25.689 -10.588 -11.295 1.00 0.54 H new ATOM 0 HG3 GLU A 22 26.764 -10.123 -9.992 1.00 0.54 H new ATOM 343 N GLU A 23 23.047 -8.336 -7.579 1.00 0.43 N ATOM 344 CA GLU A 23 21.816 -8.031 -6.781 1.00 0.44 C ATOM 345 C GLU A 23 21.297 -6.667 -7.220 1.00 0.39 C ATOM 346 O GLU A 23 20.108 -6.444 -7.323 1.00 0.47 O ATOM 347 CB GLU A 23 22.174 -8.017 -5.283 1.00 0.42 C ATOM 348 CG GLU A 23 22.766 -9.399 -4.883 1.00 0.66 C ATOM 349 CD GLU A 23 23.244 -9.375 -3.419 1.00 1.31 C ATOM 350 OE1 GLU A 23 23.966 -8.452 -3.077 1.00 2.27 O ATOM 351 OE2 GLU A 23 22.855 -10.288 -2.706 1.00 1.21 O ATOM 0 H GLU A 23 23.914 -8.390 -7.045 1.00 0.43 H new ATOM 0 HA GLU A 23 21.047 -8.786 -6.945 1.00 0.44 H new ATOM 0 HB2 GLU A 23 22.895 -7.226 -5.077 1.00 0.42 H new ATOM 0 HB3 GLU A 23 21.287 -7.802 -4.687 1.00 0.42 H new ATOM 0 HG2 GLU A 23 22.013 -10.176 -5.014 1.00 0.66 H new ATOM 0 HG3 GLU A 23 23.599 -9.649 -5.540 1.00 0.66 H new ATOM 358 N MET A 24 22.252 -5.805 -7.474 1.00 0.32 N ATOM 359 CA MET A 24 21.954 -4.420 -7.919 1.00 0.35 C ATOM 360 C MET A 24 21.262 -4.607 -9.282 1.00 0.44 C ATOM 361 O MET A 24 20.183 -4.110 -9.491 1.00 0.54 O ATOM 362 CB MET A 24 23.309 -3.721 -7.958 1.00 0.26 C ATOM 363 CG MET A 24 23.858 -3.494 -6.538 1.00 0.16 C ATOM 364 SD MET A 24 25.297 -2.402 -6.417 1.00 0.48 S ATOM 365 CE MET A 24 24.409 -0.856 -6.724 1.00 0.16 C ATOM 0 H MET A 24 23.246 -6.015 -7.387 1.00 0.32 H new ATOM 0 HA MET A 24 21.300 -3.811 -7.295 1.00 0.35 H new ATOM 0 HB2 MET A 24 24.015 -4.321 -8.532 1.00 0.26 H new ATOM 0 HB3 MET A 24 23.213 -2.764 -8.471 1.00 0.26 H new ATOM 0 HG2 MET A 24 23.059 -3.082 -5.921 1.00 0.16 H new ATOM 0 HG3 MET A 24 24.123 -4.462 -6.112 1.00 0.16 H new ATOM 0 HE1 MET A 24 24.801 -0.384 -7.625 1.00 0.16 H new ATOM 0 HE2 MET A 24 23.348 -1.066 -6.857 1.00 0.16 H new ATOM 0 HE3 MET A 24 24.542 -0.185 -5.875 1.00 0.16 H new ATOM 375 N LEU A 25 21.933 -5.303 -10.161 1.00 0.45 N ATOM 376 CA LEU A 25 21.492 -5.663 -11.534 1.00 0.59 C ATOM 377 C LEU A 25 19.998 -5.948 -11.449 1.00 0.69 C ATOM 378 O LEU A 25 19.182 -5.313 -12.097 1.00 0.80 O ATOM 379 CB LEU A 25 22.298 -6.912 -11.944 1.00 0.62 C ATOM 380 CG LEU A 25 23.397 -6.513 -12.834 1.00 0.58 C ATOM 381 CD1 LEU A 25 24.630 -7.326 -12.796 1.00 0.56 C ATOM 382 CD2 LEU A 25 22.890 -6.453 -14.275 1.00 0.76 C ATOM 0 H LEU A 25 22.862 -5.668 -9.950 1.00 0.45 H new ATOM 0 HA LEU A 25 21.659 -4.880 -12.274 1.00 0.59 H new ATOM 0 HB2 LEU A 25 22.694 -7.409 -11.059 1.00 0.62 H new ATOM 0 HB3 LEU A 25 21.649 -7.628 -12.448 1.00 0.62 H new ATOM 0 HG LEU A 25 23.701 -5.540 -12.447 1.00 0.58 H new ATOM 0 HD11 LEU A 25 25.355 -6.920 -13.501 1.00 0.56 H new ATOM 0 HD12 LEU A 25 25.050 -7.304 -11.790 1.00 0.56 H new ATOM 0 HD13 LEU A 25 24.396 -8.355 -13.069 1.00 0.56 H new ATOM 0 HD21 LEU A 25 23.705 -6.157 -14.935 1.00 0.76 H new ATOM 0 HD22 LEU A 25 22.521 -7.435 -14.572 1.00 0.76 H new ATOM 0 HD23 LEU A 25 22.082 -5.725 -14.347 1.00 0.76 H new ATOM 394 N PHE A 26 19.713 -6.932 -10.614 1.00 0.68 N ATOM 395 CA PHE A 26 18.287 -7.294 -10.437 1.00 0.76 C ATOM 396 C PHE A 26 17.577 -6.058 -9.967 1.00 0.78 C ATOM 397 O PHE A 26 16.632 -5.642 -10.590 1.00 0.83 O ATOM 398 CB PHE A 26 18.040 -8.348 -9.346 1.00 0.67 C ATOM 399 CG PHE A 26 16.502 -8.572 -9.216 1.00 0.64 C ATOM 400 CD1 PHE A 26 15.852 -9.269 -10.227 1.00 1.71 C ATOM 401 CD2 PHE A 26 15.746 -8.126 -8.122 1.00 0.99 C ATOM 402 CE1 PHE A 26 14.496 -9.538 -10.185 1.00 1.74 C ATOM 403 CE2 PHE A 26 14.372 -8.430 -8.111 1.00 0.89 C ATOM 404 CZ PHE A 26 13.748 -9.114 -9.115 1.00 0.65 C ATOM 0 H PHE A 26 20.387 -7.473 -10.073 1.00 0.68 H new ATOM 0 HA PHE A 26 17.941 -7.696 -11.389 1.00 0.76 H new ATOM 0 HB2 PHE A 26 18.539 -9.283 -9.602 1.00 0.67 H new ATOM 0 HB3 PHE A 26 18.456 -8.014 -8.395 1.00 0.67 H new ATOM 0 HD1 PHE A 26 16.426 -9.613 -11.075 1.00 1.71 H new ATOM 0 HD2 PHE A 26 16.202 -7.569 -7.317 1.00 0.99 H new ATOM 0 HE1 PHE A 26 14.027 -10.080 -10.992 1.00 1.74 H new ATOM 0 HE2 PHE A 26 13.782 -8.106 -7.267 1.00 0.89 H new ATOM 0 HZ PHE A 26 12.688 -9.317 -9.068 1.00 0.65 H new ATOM 414 N ILE A 27 18.017 -5.489 -8.881 1.00 0.69 N ATOM 415 CA ILE A 27 17.342 -4.275 -8.371 1.00 0.66 C ATOM 416 C ILE A 27 17.034 -3.203 -9.434 1.00 0.63 C ATOM 417 O ILE A 27 15.867 -2.954 -9.699 1.00 0.80 O ATOM 418 CB ILE A 27 18.182 -3.661 -7.235 1.00 0.42 C ATOM 419 CG1 ILE A 27 18.303 -4.724 -6.055 1.00 0.52 C ATOM 420 CG2 ILE A 27 17.295 -2.471 -6.791 1.00 0.54 C ATOM 421 CD1 ILE A 27 17.522 -4.250 -4.809 1.00 0.78 C ATOM 0 H ILE A 27 18.811 -5.813 -8.330 1.00 0.69 H new ATOM 0 HA ILE A 27 16.369 -4.608 -8.010 1.00 0.66 H new ATOM 0 HB ILE A 27 19.194 -3.372 -7.517 1.00 0.42 H new ATOM 0 HG12 ILE A 27 17.917 -5.688 -6.387 1.00 0.52 H new ATOM 0 HG13 ILE A 27 19.352 -4.871 -5.798 1.00 0.52 H new ATOM 0 HG21 ILE A 27 17.783 -1.939 -5.974 1.00 0.54 H new ATOM 0 HG22 ILE A 27 17.150 -1.792 -7.631 1.00 0.54 H new ATOM 0 HG23 ILE A 27 16.328 -2.844 -6.455 1.00 0.54 H new ATOM 0 HD11 ILE A 27 17.618 -4.991 -4.016 1.00 0.78 H new ATOM 0 HD12 ILE A 27 17.926 -3.297 -4.467 1.00 0.78 H new ATOM 0 HD13 ILE A 27 16.470 -4.127 -5.064 1.00 0.78 H new ATOM 433 N TYR A 28 18.063 -2.592 -9.973 1.00 0.44 N ATOM 434 CA TYR A 28 17.866 -1.545 -11.025 1.00 0.44 C ATOM 435 C TYR A 28 16.660 -1.734 -11.974 1.00 0.29 C ATOM 436 O TYR A 28 15.715 -0.971 -11.916 1.00 0.29 O ATOM 437 CB TYR A 28 19.097 -1.503 -11.835 1.00 0.54 C ATOM 438 CG TYR A 28 18.968 -0.379 -12.854 1.00 0.47 C ATOM 439 CD1 TYR A 28 19.243 0.922 -12.536 1.00 1.44 C ATOM 440 CD2 TYR A 28 18.598 -0.668 -14.137 1.00 2.32 C ATOM 441 CE1 TYR A 28 19.159 1.910 -13.471 1.00 1.46 C ATOM 442 CE2 TYR A 28 18.511 0.329 -15.084 1.00 2.30 C ATOM 443 CZ TYR A 28 18.791 1.625 -14.768 1.00 0.47 C ATOM 444 OH TYR A 28 18.706 2.603 -15.730 1.00 0.51 O ATOM 0 H TYR A 28 19.036 -2.775 -9.727 1.00 0.44 H new ATOM 0 HA TYR A 28 17.649 -0.621 -10.489 1.00 0.44 H new ATOM 0 HB2 TYR A 28 19.965 -1.337 -11.197 1.00 0.54 H new ATOM 0 HB3 TYR A 28 19.250 -2.456 -12.340 1.00 0.54 H new ATOM 0 HD1 TYR A 28 19.532 1.171 -11.526 1.00 1.44 H new ATOM 0 HD2 TYR A 28 18.372 -1.688 -14.412 1.00 2.32 H new ATOM 0 HE1 TYR A 28 19.384 2.929 -13.192 1.00 1.46 H new ATOM 0 HE2 TYR A 28 18.216 0.080 -16.093 1.00 2.30 H new ATOM 0 HH TYR A 28 17.858 2.514 -16.213 1.00 0.51 H new ATOM 454 N SER A 29 16.760 -2.740 -12.810 1.00 0.32 N ATOM 455 CA SER A 29 15.678 -3.063 -13.800 1.00 0.29 C ATOM 456 C SER A 29 14.286 -2.605 -13.355 1.00 0.35 C ATOM 457 O SER A 29 13.683 -1.696 -13.880 1.00 0.41 O ATOM 458 CB SER A 29 15.750 -4.588 -14.036 1.00 0.36 C ATOM 459 OG SER A 29 15.529 -5.187 -12.761 1.00 0.71 O ATOM 0 H SER A 29 17.564 -3.366 -12.850 1.00 0.32 H new ATOM 0 HA SER A 29 15.843 -2.513 -14.727 1.00 0.29 H new ATOM 0 HB2 SER A 29 14.996 -4.909 -14.755 1.00 0.36 H new ATOM 0 HB3 SER A 29 16.720 -4.876 -14.441 1.00 0.36 H new ATOM 0 HG SER A 29 16.375 -5.229 -12.268 1.00 0.71 H new ATOM 465 N HIS A 30 13.832 -3.289 -12.366 1.00 0.47 N ATOM 466 CA HIS A 30 12.527 -3.075 -11.719 1.00 0.45 C ATOM 467 C HIS A 30 12.365 -1.642 -11.200 1.00 0.34 C ATOM 468 O HIS A 30 11.378 -1.015 -11.506 1.00 0.37 O ATOM 469 CB HIS A 30 12.497 -4.063 -10.638 1.00 0.52 C ATOM 470 CG HIS A 30 12.128 -5.469 -11.116 1.00 0.54 C ATOM 471 ND1 HIS A 30 11.060 -6.080 -10.744 1.00 1.40 N ATOM 472 CD2 HIS A 30 12.740 -6.373 -11.963 1.00 0.65 C ATOM 473 CE1 HIS A 30 10.993 -7.252 -11.294 1.00 1.36 C ATOM 474 NE2 HIS A 30 12.025 -7.474 -12.063 1.00 0.44 N ATOM 0 H HIS A 30 14.361 -4.053 -11.946 1.00 0.47 H new ATOM 0 HA HIS A 30 11.697 -3.201 -12.414 1.00 0.45 H new ATOM 0 HB2 HIS A 30 13.474 -4.095 -10.157 1.00 0.52 H new ATOM 0 HB3 HIS A 30 11.780 -3.743 -9.882 1.00 0.52 H new ATOM 0 HD1 HIS A 30 10.363 -5.696 -10.106 1.00 1.40 H new ATOM 0 HD2 HIS A 30 13.676 -6.200 -12.473 1.00 0.65 H new ATOM 0 HE1 HIS A 30 10.188 -7.954 -11.137 1.00 1.36 H new ATOM 482 N TYR A 31 13.303 -1.160 -10.430 1.00 0.24 N ATOM 483 CA TYR A 31 13.182 0.227 -9.910 1.00 0.20 C ATOM 484 C TYR A 31 12.904 1.244 -11.048 1.00 0.25 C ATOM 485 O TYR A 31 12.040 2.093 -10.951 1.00 0.45 O ATOM 486 CB TYR A 31 14.460 0.541 -9.241 1.00 0.11 C ATOM 487 CG TYR A 31 14.432 1.979 -8.832 1.00 0.16 C ATOM 488 CD1 TYR A 31 13.560 2.480 -7.897 1.00 0.90 C ATOM 489 CD2 TYR A 31 15.314 2.782 -9.467 1.00 1.25 C ATOM 490 CE1 TYR A 31 13.594 3.834 -7.617 1.00 0.83 C ATOM 491 CE2 TYR A 31 15.356 4.112 -9.195 1.00 1.32 C ATOM 492 CZ TYR A 31 14.498 4.660 -8.270 1.00 0.30 C ATOM 493 OH TYR A 31 14.564 6.014 -8.024 1.00 0.39 O ATOM 0 H TYR A 31 14.141 -1.665 -10.142 1.00 0.24 H new ATOM 0 HA TYR A 31 12.341 0.298 -9.220 1.00 0.20 H new ATOM 0 HB2 TYR A 31 14.601 -0.099 -8.370 1.00 0.11 H new ATOM 0 HB3 TYR A 31 15.297 0.353 -9.913 1.00 0.11 H new ATOM 0 HD1 TYR A 31 12.862 1.830 -7.391 1.00 0.90 H new ATOM 0 HD2 TYR A 31 15.991 2.363 -10.197 1.00 1.25 H new ATOM 0 HE1 TYR A 31 12.915 4.250 -6.888 1.00 0.83 H new ATOM 0 HE2 TYR A 31 16.067 4.743 -9.708 1.00 1.32 H new ATOM 0 HH TYR A 31 15.263 6.414 -8.582 1.00 0.39 H new ATOM 503 N LYS A 32 13.685 1.088 -12.083 1.00 0.20 N ATOM 504 CA LYS A 32 13.581 1.968 -13.286 1.00 0.20 C ATOM 505 C LYS A 32 12.213 1.665 -13.923 1.00 0.16 C ATOM 506 O LYS A 32 11.447 2.595 -14.022 1.00 0.24 O ATOM 507 CB LYS A 32 14.819 1.603 -14.055 1.00 0.18 C ATOM 508 CG LYS A 32 16.015 1.989 -13.114 1.00 0.02 C ATOM 509 CD LYS A 32 16.184 3.542 -12.848 1.00 0.21 C ATOM 510 CE LYS A 32 16.613 4.270 -14.121 1.00 0.21 C ATOM 511 NZ LYS A 32 18.058 4.718 -14.014 1.00 0.61 N ATOM 0 H LYS A 32 14.408 0.371 -12.147 1.00 0.20 H new ATOM 0 HA LYS A 32 13.576 3.051 -13.159 1.00 0.20 H new ATOM 0 HB2 LYS A 32 14.834 0.540 -14.296 1.00 0.18 H new ATOM 0 HB3 LYS A 32 14.870 2.145 -15.000 1.00 0.18 H new ATOM 0 HG2 LYS A 32 15.882 1.484 -12.157 1.00 0.02 H new ATOM 0 HG3 LYS A 32 16.938 1.608 -13.550 1.00 0.02 H new ATOM 0 HD2 LYS A 32 15.243 3.957 -12.486 1.00 0.21 H new ATOM 0 HD3 LYS A 32 16.925 3.702 -12.065 1.00 0.21 H new ATOM 0 HE2 LYS A 32 16.493 3.612 -14.982 1.00 0.21 H new ATOM 0 HE3 LYS A 32 15.969 5.134 -14.288 1.00 0.21 H new ATOM 0 HZ1 LYS A 32 18.216 5.534 -14.639 1.00 0.61 H new ATOM 0 HZ2 LYS A 32 18.266 4.989 -13.032 1.00 0.61 H new ATOM 0 HZ3 LYS A 32 18.685 3.938 -14.298 1.00 0.61 H new ATOM 525 N GLN A 33 11.877 0.477 -14.366 1.00 0.34 N ATOM 526 CA GLN A 33 10.478 0.311 -14.933 1.00 0.35 C ATOM 527 C GLN A 33 9.425 0.944 -13.981 1.00 0.39 C ATOM 528 O GLN A 33 8.639 1.773 -14.403 1.00 0.55 O ATOM 529 CB GLN A 33 10.184 -1.187 -15.163 1.00 0.38 C ATOM 530 CG GLN A 33 9.603 -1.487 -16.615 1.00 0.88 C ATOM 531 CD GLN A 33 8.086 -1.113 -16.666 1.00 1.14 C ATOM 532 OE1 GLN A 33 7.384 -1.262 -15.691 1.00 1.62 O ATOM 533 NE2 GLN A 33 7.487 -0.650 -17.718 1.00 1.73 N ATOM 0 H GLN A 33 12.469 -0.354 -14.367 1.00 0.34 H new ATOM 0 HA GLN A 33 10.417 0.830 -15.890 1.00 0.35 H new ATOM 0 HB2 GLN A 33 11.101 -1.759 -15.018 1.00 0.38 H new ATOM 0 HB3 GLN A 33 9.472 -1.532 -14.413 1.00 0.38 H new ATOM 0 HG2 GLN A 33 10.153 -0.915 -17.362 1.00 0.88 H new ATOM 0 HG3 GLN A 33 9.736 -2.541 -16.859 1.00 0.88 H new ATOM 0 HE21 GLN A 33 8.013 -0.498 -18.579 1.00 1.73 H new ATOM 0 HE22 GLN A 33 6.490 -0.438 -17.685 1.00 1.73 H new ATOM 542 N ALA A 34 9.448 0.566 -12.731 1.00 0.31 N ATOM 543 CA ALA A 34 8.491 1.103 -11.715 1.00 0.36 C ATOM 544 C ALA A 34 8.391 2.651 -11.714 1.00 0.40 C ATOM 545 O ALA A 34 7.319 3.214 -11.824 1.00 0.47 O ATOM 546 CB ALA A 34 8.978 0.583 -10.389 1.00 0.34 C ATOM 0 H ALA A 34 10.111 -0.114 -12.359 1.00 0.31 H new ATOM 0 HA ALA A 34 7.478 0.772 -11.943 1.00 0.36 H new ATOM 0 HB1 ALA A 34 8.321 0.939 -9.595 1.00 0.34 H new ATOM 0 HB2 ALA A 34 8.974 -0.507 -10.402 1.00 0.34 H new ATOM 0 HB3 ALA A 34 9.992 0.940 -10.208 1.00 0.34 H new ATOM 552 N THR A 35 9.514 3.313 -11.604 1.00 0.38 N ATOM 553 CA THR A 35 9.532 4.824 -11.588 1.00 0.39 C ATOM 554 C THR A 35 9.573 5.382 -13.013 1.00 0.39 C ATOM 555 O THR A 35 8.735 6.198 -13.344 1.00 0.41 O ATOM 556 CB THR A 35 10.767 5.306 -10.799 1.00 0.37 C ATOM 557 OG1 THR A 35 11.842 4.760 -11.538 1.00 0.46 O ATOM 558 CG2 THR A 35 10.854 4.611 -9.460 1.00 0.28 C ATOM 0 H THR A 35 10.432 2.876 -11.523 1.00 0.38 H new ATOM 0 HA THR A 35 8.622 5.184 -11.108 1.00 0.39 H new ATOM 0 HB THR A 35 10.751 6.387 -10.661 1.00 0.37 H new ATOM 0 HG1 THR A 35 12.018 3.846 -11.233 1.00 0.46 H new ATOM 0 HG21 THR A 35 11.732 4.967 -8.922 1.00 0.28 H new ATOM 0 HG22 THR A 35 9.959 4.829 -8.878 1.00 0.28 H new ATOM 0 HG23 THR A 35 10.934 3.535 -9.613 1.00 0.28 H new ATOM 566 N VAL A 36 10.476 4.949 -13.849 1.00 0.39 N ATOM 567 CA VAL A 36 10.542 5.476 -15.257 1.00 0.40 C ATOM 568 C VAL A 36 9.442 4.825 -16.119 1.00 0.38 C ATOM 569 O VAL A 36 8.435 5.428 -16.434 1.00 0.42 O ATOM 570 CB VAL A 36 11.948 5.141 -15.924 1.00 0.30 C ATOM 571 CG1 VAL A 36 12.047 5.849 -17.325 1.00 0.29 C ATOM 572 CG2 VAL A 36 13.133 5.500 -15.058 1.00 0.33 C ATOM 0 H VAL A 36 11.180 4.247 -13.622 1.00 0.39 H new ATOM 0 HA VAL A 36 10.404 6.556 -15.210 1.00 0.40 H new ATOM 0 HB VAL A 36 11.991 4.059 -16.046 1.00 0.30 H new ATOM 0 HG11 VAL A 36 13.010 5.619 -17.781 1.00 0.29 H new ATOM 0 HG12 VAL A 36 11.245 5.492 -17.971 1.00 0.29 H new ATOM 0 HG13 VAL A 36 11.955 6.927 -17.195 1.00 0.29 H new ATOM 0 HG21 VAL A 36 14.055 5.243 -15.579 1.00 0.33 H new ATOM 0 HG22 VAL A 36 13.120 6.570 -14.849 1.00 0.33 H new ATOM 0 HG23 VAL A 36 13.079 4.947 -14.120 1.00 0.33 H new ATOM 582 N GLY A 37 9.705 3.581 -16.395 1.00 0.35 N ATOM 583 CA GLY A 37 8.867 2.647 -17.227 1.00 0.34 C ATOM 584 C GLY A 37 9.843 2.124 -18.291 1.00 0.26 C ATOM 585 O GLY A 37 10.595 1.195 -18.041 1.00 0.21 O ATOM 0 H GLY A 37 10.549 3.127 -16.045 1.00 0.35 H new ATOM 0 HA2 GLY A 37 8.458 1.835 -16.626 1.00 0.34 H new ATOM 0 HA3 GLY A 37 8.022 3.165 -17.680 1.00 0.34 H new ATOM 589 N ASP A 38 9.804 2.761 -19.430 1.00 0.31 N ATOM 590 CA ASP A 38 10.689 2.385 -20.562 1.00 0.27 C ATOM 591 C ASP A 38 12.093 3.006 -20.431 1.00 0.28 C ATOM 592 O ASP A 38 12.339 3.930 -19.676 1.00 0.49 O ATOM 593 CB ASP A 38 10.015 2.867 -21.838 1.00 0.34 C ATOM 594 CG ASP A 38 8.629 2.288 -21.897 1.00 0.65 C ATOM 595 OD1 ASP A 38 8.585 1.133 -22.286 1.00 0.42 O ATOM 596 OD2 ASP A 38 7.760 3.061 -21.540 1.00 1.93 O ATOM 0 H ASP A 38 9.180 3.544 -19.624 1.00 0.31 H new ATOM 0 HA ASP A 38 10.831 1.304 -20.571 1.00 0.27 H new ATOM 0 HB2 ASP A 38 9.971 3.956 -21.854 1.00 0.34 H new ATOM 0 HB3 ASP A 38 10.591 2.558 -22.710 1.00 0.34 H new ATOM 601 N ILE A 39 12.969 2.452 -21.207 1.00 0.24 N ATOM 602 CA ILE A 39 14.373 2.932 -21.196 1.00 0.21 C ATOM 603 C ILE A 39 14.720 3.659 -22.517 1.00 0.31 C ATOM 604 O ILE A 39 14.631 3.145 -23.623 1.00 0.38 O ATOM 605 CB ILE A 39 15.196 1.665 -20.900 1.00 0.11 C ATOM 606 CG1 ILE A 39 16.695 1.942 -20.761 1.00 0.12 C ATOM 607 CG2 ILE A 39 14.938 0.646 -21.967 1.00 0.22 C ATOM 608 CD1 ILE A 39 17.396 0.652 -20.291 1.00 0.13 C ATOM 0 H ILE A 39 12.776 1.685 -21.851 1.00 0.24 H new ATOM 0 HA ILE A 39 14.584 3.693 -20.444 1.00 0.21 H new ATOM 0 HB ILE A 39 14.872 1.280 -19.933 1.00 0.11 H new ATOM 0 HG12 ILE A 39 17.108 2.270 -21.715 1.00 0.12 H new ATOM 0 HG13 ILE A 39 16.866 2.747 -20.046 1.00 0.12 H new ATOM 0 HG21 ILE A 39 15.519 -0.252 -21.760 1.00 0.22 H new ATOM 0 HG22 ILE A 39 13.877 0.396 -21.983 1.00 0.22 H new ATOM 0 HG23 ILE A 39 15.229 1.052 -22.936 1.00 0.22 H new ATOM 0 HD11 ILE A 39 18.465 0.836 -20.188 1.00 0.13 H new ATOM 0 HD12 ILE A 39 16.986 0.345 -19.329 1.00 0.13 H new ATOM 0 HD13 ILE A 39 17.233 -0.138 -21.024 1.00 0.13 H new ATOM 620 N ASN A 40 15.111 4.880 -22.256 1.00 0.37 N ATOM 621 CA ASN A 40 15.523 5.895 -23.294 1.00 0.48 C ATOM 622 C ASN A 40 16.960 6.386 -22.934 1.00 0.57 C ATOM 623 O ASN A 40 17.351 7.513 -23.165 1.00 0.73 O ATOM 624 CB ASN A 40 14.502 7.095 -23.249 1.00 0.64 C ATOM 625 CG ASN A 40 13.138 6.704 -22.666 1.00 1.47 C ATOM 626 OD1 ASN A 40 12.354 6.008 -23.269 1.00 3.54 O ATOM 627 ND2 ASN A 40 12.797 7.119 -21.484 1.00 0.72 N ATOM 0 H ASN A 40 15.166 5.242 -21.304 1.00 0.37 H new ATOM 0 HA ASN A 40 15.523 5.468 -24.297 1.00 0.48 H new ATOM 0 HB2 ASN A 40 14.927 7.903 -22.653 1.00 0.64 H new ATOM 0 HB3 ASN A 40 14.361 7.482 -24.258 1.00 0.64 H new ATOM 0 HD21 ASN A 40 11.893 6.856 -21.093 1.00 0.72 H new ATOM 0 HD22 ASN A 40 13.434 7.708 -20.947 1.00 0.72 H new ATOM 634 N THR A 41 17.705 5.482 -22.370 1.00 0.48 N ATOM 635 CA THR A 41 19.123 5.726 -21.922 1.00 0.55 C ATOM 636 C THR A 41 20.138 4.897 -22.754 1.00 0.58 C ATOM 637 O THR A 41 19.697 4.033 -23.488 1.00 0.55 O ATOM 638 CB THR A 41 19.173 5.337 -20.423 1.00 0.52 C ATOM 639 OG1 THR A 41 18.745 3.986 -20.456 1.00 0.41 O ATOM 640 CG2 THR A 41 17.995 5.887 -19.601 1.00 0.45 C ATOM 0 H THR A 41 17.380 4.532 -22.188 1.00 0.48 H new ATOM 0 HA THR A 41 19.404 6.769 -22.070 1.00 0.55 H new ATOM 0 HB THR A 41 20.140 5.640 -20.022 1.00 0.52 H new ATOM 0 HG1 THR A 41 19.499 3.399 -20.239 1.00 0.41 H new ATOM 0 HG21 THR A 41 18.099 5.574 -18.562 1.00 0.45 H new ATOM 0 HG22 THR A 41 17.992 6.976 -19.653 1.00 0.45 H new ATOM 0 HG23 THR A 41 17.059 5.502 -20.004 1.00 0.45 H new ATOM 798 N GLY A 51 27.082 0.847 -15.663 1.00 0.39 N ATOM 799 CA GLY A 51 26.634 1.671 -16.750 1.00 0.63 C ATOM 800 C GLY A 51 25.537 0.870 -17.490 1.00 0.50 C ATOM 801 O GLY A 51 24.429 1.365 -17.556 1.00 0.81 O ATOM 0 HA2 GLY A 51 26.240 2.618 -16.381 1.00 0.63 H new ATOM 0 HA3 GLY A 51 27.459 1.909 -17.421 1.00 0.63 H new ATOM 805 N LYS A 52 25.913 -0.309 -17.971 1.00 0.24 N ATOM 806 CA LYS A 52 25.021 -1.258 -18.726 1.00 0.31 C ATOM 807 C LYS A 52 24.186 -2.172 -17.804 1.00 0.34 C ATOM 808 O LYS A 52 22.992 -2.112 -17.944 1.00 0.37 O ATOM 809 CB LYS A 52 25.865 -2.153 -19.605 1.00 0.31 C ATOM 810 CG LYS A 52 26.900 -1.331 -20.374 1.00 0.56 C ATOM 811 CD LYS A 52 28.310 -1.877 -20.011 1.00 0.70 C ATOM 812 CE LYS A 52 28.788 -2.915 -21.068 1.00 0.80 C ATOM 813 NZ LYS A 52 27.691 -3.875 -21.394 1.00 2.32 N ATOM 0 H LYS A 52 26.863 -0.664 -17.858 1.00 0.24 H new ATOM 0 HA LYS A 52 24.338 -0.638 -19.306 1.00 0.31 H new ATOM 0 HB2 LYS A 52 26.369 -2.902 -18.994 1.00 0.31 H new ATOM 0 HB3 LYS A 52 25.226 -2.691 -20.306 1.00 0.31 H new ATOM 0 HG2 LYS A 52 26.726 -1.407 -21.447 1.00 0.56 H new ATOM 0 HG3 LYS A 52 26.820 -0.276 -20.112 1.00 0.56 H new ATOM 0 HD2 LYS A 52 29.021 -1.053 -19.956 1.00 0.70 H new ATOM 0 HD3 LYS A 52 28.283 -2.341 -19.025 1.00 0.70 H new ATOM 0 HE2 LYS A 52 29.109 -2.399 -21.973 1.00 0.80 H new ATOM 0 HE3 LYS A 52 29.653 -3.458 -20.687 1.00 0.80 H new ATOM 0 HZ1 LYS A 52 28.084 -4.690 -21.908 1.00 2.32 H new ATOM 0 HZ2 LYS A 52 27.244 -4.203 -20.514 1.00 2.32 H new ATOM 0 HZ3 LYS A 52 26.980 -3.401 -21.988 1.00 2.32 H new ATOM 827 N ALA A 53 24.793 -2.968 -16.942 1.00 0.33 N ATOM 828 CA ALA A 53 24.094 -3.897 -15.980 1.00 0.38 C ATOM 829 C ALA A 53 22.646 -3.496 -15.804 1.00 0.31 C ATOM 830 O ALA A 53 21.699 -4.150 -16.186 1.00 0.28 O ATOM 831 CB ALA A 53 24.875 -3.848 -14.621 1.00 0.50 C ATOM 0 H ALA A 53 25.809 -3.011 -16.865 1.00 0.33 H new ATOM 0 HA ALA A 53 24.089 -4.916 -16.366 1.00 0.38 H new ATOM 0 HB1 ALA A 53 24.394 -4.510 -13.901 1.00 0.50 H new ATOM 0 HB2 ALA A 53 25.904 -4.171 -14.781 1.00 0.50 H new ATOM 0 HB3 ALA A 53 24.870 -2.829 -14.235 1.00 0.50 H new ATOM 837 N LYS A 54 22.547 -2.362 -15.200 1.00 0.33 N ATOM 838 CA LYS A 54 21.232 -1.751 -14.926 1.00 0.32 C ATOM 839 C LYS A 54 20.403 -1.661 -16.248 1.00 0.30 C ATOM 840 O LYS A 54 19.318 -2.203 -16.376 1.00 0.31 O ATOM 841 CB LYS A 54 21.627 -0.422 -14.288 1.00 0.32 C ATOM 842 CG LYS A 54 22.589 0.335 -15.188 1.00 0.53 C ATOM 843 CD LYS A 54 23.553 1.053 -14.331 1.00 0.71 C ATOM 844 CE LYS A 54 23.023 2.383 -13.743 1.00 0.79 C ATOM 845 NZ LYS A 54 23.037 3.352 -14.870 1.00 1.31 N ATOM 0 H LYS A 54 23.344 -1.816 -14.875 1.00 0.33 H new ATOM 0 HA LYS A 54 20.565 -2.305 -14.265 1.00 0.32 H new ATOM 0 HB2 LYS A 54 20.737 0.181 -14.109 1.00 0.32 H new ATOM 0 HB3 LYS A 54 22.091 -0.601 -13.318 1.00 0.32 H new ATOM 0 HG2 LYS A 54 23.110 -0.354 -15.852 1.00 0.53 H new ATOM 0 HG3 LYS A 54 22.046 1.037 -15.820 1.00 0.53 H new ATOM 0 HD2 LYS A 54 23.847 0.399 -13.510 1.00 0.71 H new ATOM 0 HD3 LYS A 54 24.452 1.260 -14.912 1.00 0.71 H new ATOM 0 HE2 LYS A 54 22.016 2.261 -13.343 1.00 0.79 H new ATOM 0 HE3 LYS A 54 23.652 2.727 -12.922 1.00 0.79 H new ATOM 0 HZ1 LYS A 54 23.294 4.295 -14.514 1.00 1.31 H new ATOM 0 HZ2 LYS A 54 23.733 3.048 -15.580 1.00 1.31 H new ATOM 0 HZ3 LYS A 54 22.093 3.392 -15.305 1.00 1.31 H new ATOM 859 N TRP A 55 20.979 -0.968 -17.204 1.00 0.29 N ATOM 860 CA TRP A 55 20.368 -0.751 -18.546 1.00 0.25 C ATOM 861 C TRP A 55 19.812 -2.095 -19.052 1.00 0.27 C ATOM 862 O TRP A 55 18.634 -2.266 -19.279 1.00 0.21 O ATOM 863 CB TRP A 55 21.500 -0.191 -19.449 1.00 0.24 C ATOM 864 CG TRP A 55 20.875 0.594 -20.572 1.00 0.24 C ATOM 865 CD1 TRP A 55 20.527 1.892 -20.441 1.00 0.20 C ATOM 866 CD2 TRP A 55 20.559 0.145 -21.805 1.00 0.37 C ATOM 867 NE1 TRP A 55 20.012 2.151 -21.619 1.00 0.33 N ATOM 868 CE2 TRP A 55 19.989 1.178 -22.504 1.00 0.41 C ATOM 869 CE3 TRP A 55 20.708 -1.089 -22.412 1.00 0.47 C ATOM 870 CZ2 TRP A 55 19.570 1.006 -23.799 1.00 0.51 C ATOM 871 CZ3 TRP A 55 20.287 -1.270 -23.714 1.00 0.56 C ATOM 872 CH2 TRP A 55 19.721 -0.219 -24.406 1.00 0.58 C ATOM 0 H TRP A 55 21.892 -0.526 -17.096 1.00 0.29 H new ATOM 0 HA TRP A 55 19.536 -0.047 -18.536 1.00 0.25 H new ATOM 0 HB2 TRP A 55 22.167 0.446 -18.868 1.00 0.24 H new ATOM 0 HB3 TRP A 55 22.104 -1.006 -19.848 1.00 0.24 H new ATOM 0 HD1 TRP A 55 20.643 2.546 -19.589 1.00 0.20 H new ATOM 0 HE1 TRP A 55 19.642 3.075 -21.841 1.00 0.33 H new ATOM 0 HE3 TRP A 55 21.153 -1.909 -21.868 1.00 0.47 H new ATOM 0 HZ2 TRP A 55 19.124 1.828 -24.339 1.00 0.51 H new ATOM 0 HZ3 TRP A 55 20.400 -2.233 -24.190 1.00 0.56 H new ATOM 0 HH2 TRP A 55 19.396 -0.359 -25.426 1.00 0.58 H new ATOM 883 N ASP A 56 20.726 -2.998 -19.183 1.00 0.40 N ATOM 884 CA ASP A 56 20.480 -4.374 -19.652 1.00 0.45 C ATOM 885 C ASP A 56 19.336 -5.026 -18.863 1.00 0.45 C ATOM 886 O ASP A 56 18.319 -5.385 -19.425 1.00 0.46 O ATOM 887 CB ASP A 56 21.892 -5.041 -19.497 1.00 0.49 C ATOM 888 CG ASP A 56 22.429 -5.456 -20.840 1.00 0.78 C ATOM 889 OD1 ASP A 56 22.558 -4.537 -21.623 1.00 0.38 O ATOM 890 OD2 ASP A 56 22.704 -6.617 -21.048 1.00 1.99 O ATOM 0 H ASP A 56 21.707 -2.820 -18.966 1.00 0.40 H new ATOM 0 HA ASP A 56 20.126 -4.466 -20.679 1.00 0.45 H new ATOM 0 HB2 ASP A 56 22.581 -4.342 -19.024 1.00 0.49 H new ATOM 0 HB3 ASP A 56 21.820 -5.910 -18.843 1.00 0.49 H new ATOM 895 N ALA A 57 19.531 -5.150 -17.579 1.00 0.45 N ATOM 896 CA ALA A 57 18.526 -5.756 -16.678 1.00 0.45 C ATOM 897 C ALA A 57 17.142 -5.069 -16.825 1.00 0.42 C ATOM 898 O ALA A 57 16.101 -5.693 -16.764 1.00 0.53 O ATOM 899 CB ALA A 57 19.145 -5.638 -15.256 1.00 0.46 C ATOM 0 H ALA A 57 20.381 -4.842 -17.106 1.00 0.45 H new ATOM 0 HA ALA A 57 18.317 -6.799 -16.915 1.00 0.45 H new ATOM 0 HB1 ALA A 57 18.460 -6.066 -14.524 1.00 0.46 H new ATOM 0 HB2 ALA A 57 20.092 -6.177 -15.225 1.00 0.46 H new ATOM 0 HB3 ALA A 57 19.318 -4.588 -15.020 1.00 0.46 H new ATOM 905 N TRP A 58 17.167 -3.777 -17.011 1.00 0.29 N ATOM 906 CA TRP A 58 15.919 -2.940 -17.174 1.00 0.20 C ATOM 907 C TRP A 58 15.237 -2.977 -18.549 1.00 0.18 C ATOM 908 O TRP A 58 14.049 -3.207 -18.652 1.00 0.23 O ATOM 909 CB TRP A 58 16.278 -1.470 -16.844 1.00 0.18 C ATOM 910 CG TRP A 58 15.077 -0.519 -16.997 1.00 0.18 C ATOM 911 CD1 TRP A 58 13.753 -0.863 -16.953 1.00 0.24 C ATOM 912 CD2 TRP A 58 15.189 0.809 -17.222 1.00 0.16 C ATOM 913 NE1 TRP A 58 13.159 0.302 -17.166 1.00 0.25 N ATOM 914 CE2 TRP A 58 13.934 1.346 -17.334 1.00 0.19 C ATOM 915 CE3 TRP A 58 16.278 1.656 -17.333 1.00 0.16 C ATOM 916 CZ2 TRP A 58 13.753 2.685 -17.556 1.00 0.19 C ATOM 917 CZ3 TRP A 58 16.094 3.005 -17.552 1.00 0.17 C ATOM 918 CH2 TRP A 58 14.838 3.521 -17.665 1.00 0.16 C ATOM 0 H TRP A 58 18.031 -3.237 -17.060 1.00 0.29 H new ATOM 0 HA TRP A 58 15.191 -3.380 -16.492 1.00 0.20 H new ATOM 0 HB2 TRP A 58 16.655 -1.412 -15.823 1.00 0.18 H new ATOM 0 HB3 TRP A 58 17.084 -1.140 -17.500 1.00 0.18 H new ATOM 0 HD1 TRP A 58 13.308 -1.833 -16.788 1.00 0.24 H new ATOM 0 HE1 TRP A 58 12.143 0.383 -17.198 1.00 0.25 H new ATOM 0 HE3 TRP A 58 17.278 1.258 -17.248 1.00 0.16 H new ATOM 0 HZ2 TRP A 58 12.754 3.085 -17.646 1.00 0.19 H new ATOM 0 HZ3 TRP A 58 16.951 3.657 -17.634 1.00 0.17 H new ATOM 0 HH2 TRP A 58 14.697 4.578 -17.839 1.00 0.16 H new ATOM 929 N ASN A 59 15.992 -2.754 -19.575 1.00 0.18 N ATOM 930 CA ASN A 59 15.516 -2.735 -20.976 1.00 0.28 C ATOM 931 C ASN A 59 14.610 -3.909 -21.329 1.00 0.38 C ATOM 932 O ASN A 59 13.887 -3.863 -22.300 1.00 0.42 O ATOM 933 CB ASN A 59 16.774 -2.705 -21.836 1.00 0.33 C ATOM 934 CG ASN A 59 16.457 -2.335 -23.289 1.00 0.56 C ATOM 935 OD1 ASN A 59 15.829 -1.372 -23.702 1.00 0.90 O ATOM 936 ND2 ASN A 59 16.933 -3.174 -24.123 1.00 0.42 N ATOM 0 H ASN A 59 16.992 -2.571 -19.490 1.00 0.18 H new ATOM 0 HA ASN A 59 14.885 -1.863 -21.148 1.00 0.28 H new ATOM 0 HB2 ASN A 59 17.481 -1.985 -21.423 1.00 0.33 H new ATOM 0 HB3 ASN A 59 17.259 -3.681 -21.806 1.00 0.33 H new ATOM 0 HD21 ASN A 59 16.788 -3.037 -25.123 1.00 0.42 H new ATOM 0 HD22 ASN A 59 17.459 -3.982 -23.790 1.00 0.42 H new ATOM 943 N GLU A 60 14.674 -4.915 -20.509 1.00 0.47 N ATOM 944 CA GLU A 60 13.842 -6.131 -20.752 1.00 0.63 C ATOM 945 C GLU A 60 12.409 -5.934 -20.235 1.00 0.62 C ATOM 946 O GLU A 60 11.407 -6.297 -20.813 1.00 0.84 O ATOM 947 CB GLU A 60 14.532 -7.294 -20.042 1.00 0.78 C ATOM 948 CG GLU A 60 13.853 -8.617 -20.559 1.00 1.26 C ATOM 949 CD GLU A 60 14.085 -8.835 -22.065 1.00 2.81 C ATOM 950 OE1 GLU A 60 15.135 -8.405 -22.518 1.00 3.03 O ATOM 951 OE2 GLU A 60 13.195 -9.418 -22.654 1.00 4.37 O ATOM 0 H GLU A 60 15.266 -4.952 -19.679 1.00 0.47 H new ATOM 0 HA GLU A 60 13.758 -6.332 -21.820 1.00 0.63 H new ATOM 0 HB2 GLU A 60 15.600 -7.299 -20.258 1.00 0.78 H new ATOM 0 HB3 GLU A 60 14.426 -7.203 -18.961 1.00 0.78 H new ATOM 0 HG2 GLU A 60 14.249 -9.468 -20.005 1.00 1.26 H new ATOM 0 HG3 GLU A 60 12.782 -8.577 -20.359 1.00 1.26 H new ATOM 958 N LEU A 61 12.389 -5.309 -19.103 1.00 0.44 N ATOM 959 CA LEU A 61 11.118 -4.990 -18.388 1.00 0.44 C ATOM 960 C LEU A 61 10.472 -3.814 -19.076 1.00 0.39 C ATOM 961 O LEU A 61 9.271 -3.676 -19.093 1.00 0.43 O ATOM 962 CB LEU A 61 11.358 -4.524 -16.990 1.00 0.42 C ATOM 963 CG LEU A 61 12.419 -5.283 -16.269 1.00 0.39 C ATOM 964 CD1 LEU A 61 12.522 -4.555 -14.964 1.00 0.38 C ATOM 965 CD2 LEU A 61 12.022 -6.723 -16.139 1.00 0.45 C ATOM 0 H LEU A 61 13.229 -4.991 -18.620 1.00 0.44 H new ATOM 0 HA LEU A 61 10.515 -5.898 -18.389 1.00 0.44 H new ATOM 0 HB2 LEU A 61 11.632 -3.469 -17.012 1.00 0.42 H new ATOM 0 HB3 LEU A 61 10.427 -4.600 -16.428 1.00 0.42 H new ATOM 0 HG LEU A 61 13.385 -5.320 -16.773 1.00 0.39 H new ATOM 0 HD11 LEU A 61 13.281 -5.029 -14.342 1.00 0.38 H new ATOM 0 HD12 LEU A 61 12.799 -3.517 -15.147 1.00 0.38 H new ATOM 0 HD13 LEU A 61 11.560 -4.588 -14.452 1.00 0.38 H new ATOM 0 HD21 LEU A 61 12.803 -7.270 -15.611 1.00 0.45 H new ATOM 0 HD22 LEU A 61 11.089 -6.794 -15.581 1.00 0.45 H new ATOM 0 HD23 LEU A 61 11.885 -7.154 -17.131 1.00 0.45 H new ATOM 977 N LYS A 62 11.336 -3.015 -19.616 1.00 0.40 N ATOM 978 CA LYS A 62 10.970 -1.771 -20.356 1.00 0.49 C ATOM 979 C LYS A 62 9.485 -1.608 -20.635 1.00 0.81 C ATOM 980 O LYS A 62 8.856 -0.731 -20.080 1.00 1.73 O ATOM 981 CB LYS A 62 11.810 -1.842 -21.624 1.00 0.36 C ATOM 982 CG LYS A 62 11.508 -0.702 -22.582 1.00 0.45 C ATOM 983 CD LYS A 62 12.568 -0.815 -23.718 1.00 0.89 C ATOM 984 CE LYS A 62 12.630 0.451 -24.587 1.00 1.32 C ATOM 985 NZ LYS A 62 14.056 0.687 -25.012 1.00 2.62 N ATOM 0 H LYS A 62 12.342 -3.179 -19.575 1.00 0.40 H new ATOM 0 HA LYS A 62 11.177 -0.884 -19.758 1.00 0.49 H new ATOM 0 HB2 LYS A 62 12.867 -1.820 -21.358 1.00 0.36 H new ATOM 0 HB3 LYS A 62 11.627 -2.793 -22.125 1.00 0.36 H new ATOM 0 HG2 LYS A 62 10.497 -0.783 -22.981 1.00 0.45 H new ATOM 0 HG3 LYS A 62 11.576 0.262 -22.078 1.00 0.45 H new ATOM 0 HD2 LYS A 62 13.549 -1.000 -23.280 1.00 0.89 H new ATOM 0 HD3 LYS A 62 12.333 -1.673 -24.347 1.00 0.89 H new ATOM 0 HE2 LYS A 62 11.990 0.338 -25.462 1.00 1.32 H new ATOM 0 HE3 LYS A 62 12.257 1.309 -24.028 1.00 1.32 H new ATOM 0 HZ1 LYS A 62 14.363 1.627 -24.690 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 14.669 -0.041 -24.591 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 14.122 0.638 -26.049 1.00 2.62 H new ATOM 999 N GLY A 63 8.976 -2.491 -21.438 1.00 0.31 N ATOM 1000 CA GLY A 63 7.517 -2.447 -21.814 1.00 0.44 C ATOM 1001 C GLY A 63 6.609 -3.205 -20.844 1.00 0.37 C ATOM 1002 O GLY A 63 5.680 -3.881 -21.231 1.00 0.46 O ATOM 0 H GLY A 63 9.503 -3.255 -21.861 1.00 0.31 H new ATOM 0 HA2 GLY A 63 7.195 -1.407 -21.862 1.00 0.44 H new ATOM 0 HA3 GLY A 63 7.396 -2.865 -22.813 1.00 0.44 H new ATOM 1006 N THR A 64 6.926 -3.061 -19.595 1.00 0.37 N ATOM 1007 CA THR A 64 6.157 -3.715 -18.471 1.00 0.38 C ATOM 1008 C THR A 64 5.204 -2.705 -17.866 1.00 0.45 C ATOM 1009 O THR A 64 5.144 -1.558 -18.275 1.00 0.63 O ATOM 1010 CB THR A 64 7.160 -4.210 -17.378 1.00 0.38 C ATOM 1011 OG1 THR A 64 7.711 -5.392 -17.915 1.00 0.49 O ATOM 1012 CG2 THR A 64 6.626 -4.675 -16.033 1.00 0.39 C ATOM 0 H THR A 64 7.715 -2.497 -19.280 1.00 0.37 H new ATOM 0 HA THR A 64 5.592 -4.564 -18.855 1.00 0.38 H new ATOM 0 HB THR A 64 7.790 -3.344 -17.174 1.00 0.38 H new ATOM 0 HG1 THR A 64 8.386 -5.162 -18.587 1.00 0.49 H new ATOM 0 HG21 THR A 64 7.457 -4.983 -15.398 1.00 0.39 H new ATOM 0 HG22 THR A 64 6.086 -3.858 -15.554 1.00 0.39 H new ATOM 0 HG23 THR A 64 5.951 -5.518 -16.181 1.00 0.39 H new ATOM 1020 N SER A 65 4.468 -3.197 -16.910 1.00 0.34 N ATOM 1021 CA SER A 65 3.502 -2.336 -16.199 1.00 0.39 C ATOM 1022 C SER A 65 4.235 -2.010 -14.895 1.00 0.37 C ATOM 1023 O SER A 65 4.655 -2.882 -14.157 1.00 0.37 O ATOM 1024 CB SER A 65 2.244 -3.086 -15.918 1.00 0.38 C ATOM 1025 OG SER A 65 1.853 -3.513 -17.229 1.00 1.84 O ATOM 0 H SER A 65 4.499 -4.166 -16.593 1.00 0.34 H new ATOM 0 HA SER A 65 3.209 -1.452 -16.765 1.00 0.39 H new ATOM 0 HB2 SER A 65 2.412 -3.929 -15.248 1.00 0.38 H new ATOM 0 HB3 SER A 65 1.488 -2.454 -15.452 1.00 0.38 H new ATOM 0 HG SER A 65 1.022 -4.028 -17.171 1.00 1.84 H new ATOM 1031 N LYS A 66 4.364 -0.757 -14.625 1.00 0.30 N ATOM 1032 CA LYS A 66 5.080 -0.282 -13.377 1.00 0.17 C ATOM 1033 C LYS A 66 4.922 -1.127 -12.095 1.00 0.23 C ATOM 1034 O LYS A 66 5.827 -1.399 -11.330 1.00 0.30 O ATOM 1035 CB LYS A 66 4.618 1.175 -13.149 1.00 0.10 C ATOM 1036 CG LYS A 66 5.369 1.991 -14.196 1.00 0.26 C ATOM 1037 CD LYS A 66 4.996 3.485 -14.198 1.00 0.28 C ATOM 1038 CE LYS A 66 6.026 4.121 -15.140 1.00 0.96 C ATOM 1039 NZ LYS A 66 7.305 4.156 -14.376 1.00 1.20 N ATOM 0 H LYS A 66 4.003 -0.007 -15.215 1.00 0.30 H new ATOM 0 HA LYS A 66 6.149 -0.382 -13.566 1.00 0.17 H new ATOM 0 HB2 LYS A 66 3.539 1.272 -13.272 1.00 0.10 H new ATOM 0 HB3 LYS A 66 4.856 1.512 -12.140 1.00 0.10 H new ATOM 0 HG2 LYS A 66 6.440 1.893 -14.021 1.00 0.26 H new ATOM 0 HG3 LYS A 66 5.168 1.574 -15.183 1.00 0.26 H new ATOM 0 HD2 LYS A 66 3.978 3.642 -14.554 1.00 0.28 H new ATOM 0 HD3 LYS A 66 5.053 3.912 -13.197 1.00 0.28 H new ATOM 0 HE2 LYS A 66 6.132 3.538 -16.055 1.00 0.96 H new ATOM 0 HE3 LYS A 66 5.719 5.124 -15.436 1.00 0.96 H new ATOM 0 HZ1 LYS A 66 7.747 5.091 -14.482 1.00 1.20 H new ATOM 0 HZ2 LYS A 66 7.113 3.975 -13.370 1.00 1.20 H new ATOM 0 HZ3 LYS A 66 7.948 3.426 -14.743 1.00 1.20 H new ATOM 1053 N GLU A 67 3.721 -1.521 -11.917 1.00 0.24 N ATOM 1054 CA GLU A 67 3.296 -2.343 -10.764 1.00 0.31 C ATOM 1055 C GLU A 67 4.003 -3.714 -10.663 1.00 0.28 C ATOM 1056 O GLU A 67 4.342 -4.197 -9.599 1.00 0.41 O ATOM 1057 CB GLU A 67 1.803 -2.378 -10.959 1.00 0.40 C ATOM 1058 CG GLU A 67 1.232 -0.909 -10.562 1.00 0.49 C ATOM 1059 CD GLU A 67 0.865 -0.009 -11.768 1.00 1.51 C ATOM 1060 OE1 GLU A 67 1.568 -0.105 -12.765 1.00 2.39 O ATOM 1061 OE2 GLU A 67 -0.097 0.728 -11.608 1.00 1.97 O ATOM 0 H GLU A 67 2.961 -1.297 -12.560 1.00 0.24 H new ATOM 0 HA GLU A 67 3.579 -1.936 -9.793 1.00 0.31 H new ATOM 0 HB2 GLU A 67 1.556 -2.621 -11.992 1.00 0.40 H new ATOM 0 HB3 GLU A 67 1.351 -3.148 -10.334 1.00 0.40 H new ATOM 0 HG2 GLU A 67 0.347 -1.035 -9.938 1.00 0.49 H new ATOM 0 HG3 GLU A 67 1.979 -0.395 -9.957 1.00 0.49 H new ATOM 1068 N ASP A 68 4.214 -4.368 -11.759 1.00 0.33 N ATOM 1069 CA ASP A 68 4.907 -5.695 -11.766 1.00 0.44 C ATOM 1070 C ASP A 68 6.336 -5.464 -11.270 1.00 0.33 C ATOM 1071 O ASP A 68 6.885 -6.161 -10.435 1.00 0.29 O ATOM 1072 CB ASP A 68 4.779 -6.138 -13.214 1.00 0.58 C ATOM 1073 CG ASP A 68 3.338 -6.478 -13.593 1.00 0.90 C ATOM 1074 OD1 ASP A 68 2.419 -5.893 -13.041 1.00 1.50 O ATOM 1075 OD2 ASP A 68 3.242 -7.331 -14.444 1.00 1.48 O ATOM 0 H ASP A 68 3.931 -4.037 -12.681 1.00 0.33 H new ATOM 0 HA ASP A 68 4.504 -6.472 -11.116 1.00 0.44 H new ATOM 0 HB2 ASP A 68 5.147 -5.347 -13.867 1.00 0.58 H new ATOM 0 HB3 ASP A 68 5.412 -7.010 -13.382 1.00 0.58 H new ATOM 1080 N ALA A 69 6.912 -4.454 -11.827 1.00 0.31 N ATOM 1081 CA ALA A 69 8.301 -4.082 -11.439 1.00 0.23 C ATOM 1082 C ALA A 69 8.337 -4.004 -9.867 1.00 0.16 C ATOM 1083 O ALA A 69 9.208 -4.591 -9.246 1.00 0.19 O ATOM 1084 CB ALA A 69 8.577 -2.751 -12.126 1.00 0.24 C ATOM 0 H ALA A 69 6.486 -3.861 -12.539 1.00 0.31 H new ATOM 0 HA ALA A 69 9.070 -4.793 -11.742 1.00 0.23 H new ATOM 0 HB1 ALA A 69 9.586 -2.418 -11.882 1.00 0.24 H new ATOM 0 HB2 ALA A 69 8.486 -2.873 -13.205 1.00 0.24 H new ATOM 0 HB3 ALA A 69 7.857 -2.008 -11.783 1.00 0.24 H new ATOM 1090 N MET A 70 7.382 -3.288 -9.312 1.00 0.13 N ATOM 1091 CA MET A 70 7.264 -3.117 -7.823 1.00 0.17 C ATOM 1092 C MET A 70 7.211 -4.461 -7.077 1.00 0.23 C ATOM 1093 O MET A 70 8.006 -4.691 -6.182 1.00 0.30 O ATOM 1094 CB MET A 70 5.966 -2.356 -7.419 1.00 0.22 C ATOM 1095 CG MET A 70 5.906 -0.953 -7.963 1.00 0.19 C ATOM 1096 SD MET A 70 4.427 -0.053 -7.441 1.00 0.35 S ATOM 1097 CE MET A 70 4.786 1.464 -8.348 1.00 0.36 C ATOM 0 H MET A 70 6.660 -2.802 -9.844 1.00 0.13 H new ATOM 0 HA MET A 70 8.155 -2.554 -7.545 1.00 0.17 H new ATOM 0 HB2 MET A 70 5.100 -2.914 -7.775 1.00 0.22 H new ATOM 0 HB3 MET A 70 5.897 -2.320 -6.332 1.00 0.22 H new ATOM 0 HG2 MET A 70 6.791 -0.406 -7.638 1.00 0.19 H new ATOM 0 HG3 MET A 70 5.936 -0.990 -9.052 1.00 0.19 H new ATOM 0 HE1 MET A 70 3.990 2.188 -8.175 1.00 0.36 H new ATOM 0 HE2 MET A 70 5.734 1.878 -8.004 1.00 0.36 H new ATOM 0 HE3 MET A 70 4.851 1.244 -9.414 1.00 0.36 H new ATOM 1107 N LYS A 71 6.244 -5.256 -7.501 1.00 0.29 N ATOM 1108 CA LYS A 71 5.983 -6.627 -6.930 1.00 0.42 C ATOM 1109 C LYS A 71 7.250 -7.289 -6.385 1.00 0.36 C ATOM 1110 O LYS A 71 7.302 -7.672 -5.238 1.00 0.56 O ATOM 1111 CB LYS A 71 5.309 -7.499 -8.063 1.00 0.55 C ATOM 1112 CG LYS A 71 3.803 -7.162 -8.241 1.00 0.90 C ATOM 1113 CD LYS A 71 3.256 -8.008 -9.445 1.00 1.97 C ATOM 1114 CE LYS A 71 1.901 -7.504 -10.002 1.00 3.24 C ATOM 1115 NZ LYS A 71 1.973 -6.047 -10.340 1.00 3.85 N ATOM 0 H LYS A 71 5.601 -4.998 -8.249 1.00 0.29 H new ATOM 0 HA LYS A 71 5.316 -6.540 -6.072 1.00 0.42 H new ATOM 0 HB2 LYS A 71 5.831 -7.334 -9.006 1.00 0.55 H new ATOM 0 HB3 LYS A 71 5.417 -8.556 -7.819 1.00 0.55 H new ATOM 0 HG2 LYS A 71 3.250 -7.393 -7.330 1.00 0.90 H new ATOM 0 HG3 LYS A 71 3.671 -6.097 -8.432 1.00 0.90 H new ATOM 0 HD2 LYS A 71 3.994 -7.999 -10.248 1.00 1.97 H new ATOM 0 HD3 LYS A 71 3.144 -9.044 -9.127 1.00 1.97 H new ATOM 0 HE2 LYS A 71 1.633 -8.075 -10.891 1.00 3.24 H new ATOM 0 HE3 LYS A 71 1.115 -7.673 -9.266 1.00 3.24 H new ATOM 0 HZ1 LYS A 71 1.176 -5.548 -9.896 1.00 3.85 H new ATOM 0 HZ2 LYS A 71 2.868 -5.653 -9.987 1.00 3.85 H new ATOM 0 HZ3 LYS A 71 1.925 -5.927 -11.372 1.00 3.85 H new ATOM 1129 N ALA A 72 8.239 -7.390 -7.230 1.00 0.23 N ATOM 1130 CA ALA A 72 9.530 -8.002 -6.840 1.00 0.36 C ATOM 1131 C ALA A 72 10.444 -6.853 -6.421 1.00 0.33 C ATOM 1132 O ALA A 72 11.273 -7.047 -5.557 1.00 0.28 O ATOM 1133 CB ALA A 72 10.092 -8.752 -8.047 1.00 0.56 C ATOM 0 H ALA A 72 8.200 -7.065 -8.196 1.00 0.23 H new ATOM 0 HA ALA A 72 9.430 -8.713 -6.020 1.00 0.36 H new ATOM 0 HB1 ALA A 72 11.044 -9.210 -7.780 1.00 0.56 H new ATOM 0 HB2 ALA A 72 9.389 -9.527 -8.353 1.00 0.56 H new ATOM 0 HB3 ALA A 72 10.244 -8.054 -8.870 1.00 0.56 H new ATOM 1139 N TYR A 73 10.306 -5.685 -7.016 1.00 0.38 N ATOM 1140 CA TYR A 73 11.200 -4.571 -6.601 1.00 0.41 C ATOM 1141 C TYR A 73 11.394 -4.464 -5.115 1.00 0.34 C ATOM 1142 O TYR A 73 12.471 -4.591 -4.561 1.00 0.31 O ATOM 1143 CB TYR A 73 10.716 -3.200 -7.048 1.00 0.41 C ATOM 1144 CG TYR A 73 11.755 -2.174 -6.527 1.00 0.28 C ATOM 1145 CD1 TYR A 73 13.025 -2.088 -7.071 1.00 1.52 C ATOM 1146 CD2 TYR A 73 11.425 -1.330 -5.488 1.00 1.83 C ATOM 1147 CE1 TYR A 73 13.942 -1.187 -6.590 1.00 1.59 C ATOM 1148 CE2 TYR A 73 12.345 -0.428 -5.020 1.00 1.73 C ATOM 1149 CZ TYR A 73 13.589 -0.365 -5.571 1.00 0.17 C ATOM 1150 OH TYR A 73 14.499 0.539 -5.109 1.00 0.17 O ATOM 0 H TYR A 73 9.631 -5.467 -7.749 1.00 0.38 H new ATOM 0 HA TYR A 73 12.136 -4.836 -7.094 1.00 0.41 H new ATOM 0 HB2 TYR A 73 10.635 -3.152 -8.134 1.00 0.41 H new ATOM 0 HB3 TYR A 73 9.726 -2.988 -6.645 1.00 0.41 H new ATOM 0 HD1 TYR A 73 13.299 -2.740 -7.887 1.00 1.52 H new ATOM 0 HD2 TYR A 73 10.442 -1.379 -5.043 1.00 1.83 H new ATOM 0 HE1 TYR A 73 14.932 -1.133 -7.018 1.00 1.59 H new ATOM 0 HE2 TYR A 73 12.082 0.236 -4.210 1.00 1.73 H new ATOM 0 HH TYR A 73 14.521 1.315 -5.707 1.00 0.17 H new ATOM 1160 N ILE A 74 10.268 -4.227 -4.539 1.00 0.33 N ATOM 1161 CA ILE A 74 10.220 -4.074 -3.090 1.00 0.24 C ATOM 1162 C ILE A 74 10.929 -5.302 -2.503 1.00 0.18 C ATOM 1163 O ILE A 74 11.935 -5.156 -1.847 1.00 0.14 O ATOM 1164 CB ILE A 74 8.787 -4.004 -2.717 1.00 0.30 C ATOM 1165 CG1 ILE A 74 8.111 -2.790 -3.343 1.00 0.32 C ATOM 1166 CG2 ILE A 74 8.838 -3.791 -1.229 1.00 0.28 C ATOM 1167 CD1 ILE A 74 6.602 -3.010 -3.317 1.00 0.32 C ATOM 0 H ILE A 74 9.373 -4.133 -5.019 1.00 0.33 H new ATOM 0 HA ILE A 74 10.713 -3.178 -2.714 1.00 0.24 H new ATOM 0 HB ILE A 74 8.235 -4.887 -3.041 1.00 0.30 H new ATOM 0 HG12 ILE A 74 8.372 -1.886 -2.793 1.00 0.32 H new ATOM 0 HG13 ILE A 74 8.456 -2.651 -4.368 1.00 0.32 H new ATOM 0 HG21 ILE A 74 7.824 -3.723 -0.836 1.00 0.28 H new ATOM 0 HG22 ILE A 74 9.354 -4.628 -0.759 1.00 0.28 H new ATOM 0 HG23 ILE A 74 9.374 -2.867 -1.012 1.00 0.28 H new ATOM 0 HD11 ILE A 74 6.101 -2.150 -3.762 1.00 0.32 H new ATOM 0 HD12 ILE A 74 6.355 -3.907 -3.885 1.00 0.32 H new ATOM 0 HD13 ILE A 74 6.270 -3.130 -2.286 1.00 0.32 H new ATOM 1179 N ASP A 75 10.417 -6.484 -2.732 1.00 0.22 N ATOM 1180 CA ASP A 75 11.110 -7.699 -2.174 1.00 0.27 C ATOM 1181 C ASP A 75 12.668 -7.681 -2.273 1.00 0.31 C ATOM 1182 O ASP A 75 13.432 -7.869 -1.345 1.00 0.54 O ATOM 1183 CB ASP A 75 10.568 -8.920 -2.909 1.00 0.44 C ATOM 1184 CG ASP A 75 9.975 -10.022 -2.033 1.00 1.42 C ATOM 1185 OD1 ASP A 75 9.919 -9.878 -0.823 1.00 2.02 O ATOM 1186 OD2 ASP A 75 9.618 -10.981 -2.686 1.00 2.18 O ATOM 0 H ASP A 75 9.569 -6.666 -3.268 1.00 0.22 H new ATOM 0 HA ASP A 75 10.897 -7.719 -1.105 1.00 0.27 H new ATOM 0 HB2 ASP A 75 9.801 -8.587 -3.608 1.00 0.44 H new ATOM 0 HB3 ASP A 75 11.375 -9.350 -3.502 1.00 0.44 H new ATOM 1191 N LYS A 76 13.072 -7.419 -3.480 1.00 0.11 N ATOM 1192 CA LYS A 76 14.532 -7.355 -3.852 1.00 0.14 C ATOM 1193 C LYS A 76 15.205 -6.336 -2.947 1.00 0.16 C ATOM 1194 O LYS A 76 16.328 -6.536 -2.505 1.00 0.36 O ATOM 1195 CB LYS A 76 14.527 -7.062 -5.388 1.00 0.30 C ATOM 1196 CG LYS A 76 15.176 -5.795 -5.890 1.00 2.19 C ATOM 1197 CD LYS A 76 14.386 -4.986 -6.980 1.00 4.62 C ATOM 1198 CE LYS A 76 13.704 -5.654 -8.265 1.00 5.89 C ATOM 1199 NZ LYS A 76 14.618 -6.077 -9.385 1.00 6.53 N ATOM 0 H LYS A 76 12.438 -7.239 -4.258 1.00 0.11 H new ATOM 0 HA LYS A 76 15.119 -8.260 -3.696 1.00 0.14 H new ATOM 0 HB2 LYS A 76 15.013 -7.901 -5.885 1.00 0.30 H new ATOM 0 HB3 LYS A 76 13.488 -7.054 -5.719 1.00 0.30 H new ATOM 0 HG2 LYS A 76 15.348 -5.139 -5.037 1.00 2.19 H new ATOM 0 HG3 LYS A 76 16.154 -6.051 -6.298 1.00 2.19 H new ATOM 0 HD2 LYS A 76 13.592 -4.458 -6.452 1.00 4.62 H new ATOM 0 HD3 LYS A 76 15.074 -4.230 -7.358 1.00 4.62 H new ATOM 0 HE2 LYS A 76 13.146 -6.530 -7.935 1.00 5.89 H new ATOM 0 HE3 LYS A 76 12.979 -4.948 -8.669 1.00 5.89 H new ATOM 0 HZ1 LYS A 76 14.076 -6.613 -10.092 1.00 6.53 H new ATOM 0 HZ2 LYS A 76 15.032 -5.234 -9.832 1.00 6.53 H new ATOM 0 HZ3 LYS A 76 15.379 -6.676 -9.005 1.00 6.53 H new ATOM 1213 N VAL A 77 14.518 -5.261 -2.695 1.00 0.05 N ATOM 1214 CA VAL A 77 15.112 -4.237 -1.798 1.00 0.06 C ATOM 1215 C VAL A 77 15.090 -4.901 -0.408 1.00 0.10 C ATOM 1216 O VAL A 77 16.083 -4.866 0.294 1.00 0.10 O ATOM 1217 CB VAL A 77 14.245 -2.995 -1.859 1.00 0.04 C ATOM 1218 CG1 VAL A 77 14.707 -2.021 -0.745 1.00 0.02 C ATOM 1219 CG2 VAL A 77 14.438 -2.360 -3.265 1.00 0.14 C ATOM 0 H VAL A 77 13.590 -5.049 -3.062 1.00 0.05 H new ATOM 0 HA VAL A 77 16.123 -3.928 -2.063 1.00 0.06 H new ATOM 0 HB VAL A 77 13.191 -3.226 -1.705 1.00 0.04 H new ATOM 0 HG11 VAL A 77 14.094 -1.120 -0.773 1.00 0.02 H new ATOM 0 HG12 VAL A 77 14.600 -2.503 0.227 1.00 0.02 H new ATOM 0 HG13 VAL A 77 15.752 -1.755 -0.905 1.00 0.02 H new ATOM 0 HG21 VAL A 77 13.827 -1.461 -3.345 1.00 0.14 H new ATOM 0 HG22 VAL A 77 15.487 -2.100 -3.406 1.00 0.14 H new ATOM 0 HG23 VAL A 77 14.135 -3.074 -4.031 1.00 0.14 H new ATOM 1229 N GLU A 78 13.988 -5.490 -0.014 1.00 0.16 N ATOM 1230 CA GLU A 78 13.933 -6.152 1.319 1.00 0.24 C ATOM 1231 C GLU A 78 15.165 -7.073 1.466 1.00 0.23 C ATOM 1232 O GLU A 78 15.749 -7.123 2.532 1.00 0.30 O ATOM 1233 CB GLU A 78 12.575 -6.901 1.401 1.00 0.31 C ATOM 1234 CG GLU A 78 11.658 -6.188 2.484 1.00 0.41 C ATOM 1235 CD GLU A 78 11.487 -4.686 2.163 1.00 1.40 C ATOM 1236 OE1 GLU A 78 10.609 -4.414 1.355 1.00 2.57 O ATOM 1237 OE2 GLU A 78 12.259 -3.931 2.758 1.00 1.78 O ATOM 0 H GLU A 78 13.127 -5.539 -0.559 1.00 0.16 H new ATOM 0 HA GLU A 78 13.978 -5.447 2.149 1.00 0.24 H new ATOM 0 HB2 GLU A 78 12.083 -6.896 0.429 1.00 0.31 H new ATOM 0 HB3 GLU A 78 12.736 -7.945 1.672 1.00 0.31 H new ATOM 0 HG2 GLU A 78 10.681 -6.671 2.513 1.00 0.41 H new ATOM 0 HG3 GLU A 78 12.100 -6.304 3.473 1.00 0.41 H new ATOM 1244 N GLU A 79 15.531 -7.803 0.441 1.00 0.25 N ATOM 1245 CA GLU A 79 16.741 -8.691 0.518 1.00 0.27 C ATOM 1246 C GLU A 79 17.926 -7.779 0.939 1.00 0.22 C ATOM 1247 O GLU A 79 18.573 -7.956 1.953 1.00 0.22 O ATOM 1248 CB GLU A 79 17.036 -9.308 -0.868 1.00 0.35 C ATOM 1249 CG GLU A 79 16.042 -10.450 -1.242 1.00 0.43 C ATOM 1250 CD GLU A 79 16.469 -11.125 -2.562 1.00 1.13 C ATOM 1251 OE1 GLU A 79 17.629 -11.511 -2.596 1.00 1.56 O ATOM 1252 OE2 GLU A 79 15.649 -11.224 -3.455 1.00 1.85 O ATOM 0 H GLU A 79 15.042 -7.824 -0.454 1.00 0.25 H new ATOM 0 HA GLU A 79 16.586 -9.505 1.226 1.00 0.27 H new ATOM 0 HB2 GLU A 79 16.988 -8.527 -1.627 1.00 0.35 H new ATOM 0 HB3 GLU A 79 18.053 -9.699 -0.878 1.00 0.35 H new ATOM 0 HG2 GLU A 79 16.010 -11.189 -0.442 1.00 0.43 H new ATOM 0 HG3 GLU A 79 15.035 -10.046 -1.342 1.00 0.43 H new ATOM 1259 N LEU A 80 18.199 -6.797 0.122 1.00 0.20 N ATOM 1260 CA LEU A 80 19.321 -5.851 0.436 1.00 0.20 C ATOM 1261 C LEU A 80 19.280 -5.320 1.852 1.00 0.17 C ATOM 1262 O LEU A 80 20.286 -5.222 2.520 1.00 0.36 O ATOM 1263 CB LEU A 80 19.234 -4.735 -0.494 1.00 0.18 C ATOM 1264 CG LEU A 80 19.570 -5.221 -1.883 1.00 0.10 C ATOM 1265 CD1 LEU A 80 19.547 -4.001 -2.700 1.00 0.27 C ATOM 1266 CD2 LEU A 80 20.964 -5.845 -1.900 1.00 0.30 C ATOM 0 H LEU A 80 17.699 -6.606 -0.746 1.00 0.20 H new ATOM 0 HA LEU A 80 20.258 -6.399 0.337 1.00 0.20 H new ATOM 0 HB2 LEU A 80 18.231 -4.309 -0.477 1.00 0.18 H new ATOM 0 HB3 LEU A 80 19.921 -3.943 -0.196 1.00 0.18 H new ATOM 0 HG LEU A 80 18.879 -5.983 -2.244 1.00 0.10 H new ATOM 0 HD11 LEU A 80 19.781 -4.252 -3.735 1.00 0.27 H new ATOM 0 HD12 LEU A 80 18.556 -3.549 -2.651 1.00 0.27 H new ATOM 0 HD13 LEU A 80 20.287 -3.296 -2.321 1.00 0.27 H new ATOM 0 HD21 LEU A 80 21.195 -6.192 -2.907 1.00 0.30 H new ATOM 0 HD22 LEU A 80 21.700 -5.101 -1.595 1.00 0.30 H new ATOM 0 HD23 LEU A 80 20.994 -6.688 -1.210 1.00 0.30 H new ATOM 1278 N LYS A 81 18.110 -4.967 2.264 1.00 0.11 N ATOM 1279 CA LYS A 81 17.980 -4.444 3.672 1.00 0.17 C ATOM 1280 C LYS A 81 18.681 -5.410 4.658 1.00 0.22 C ATOM 1281 O LYS A 81 19.353 -5.014 5.586 1.00 0.33 O ATOM 1282 CB LYS A 81 16.520 -4.344 4.060 1.00 0.30 C ATOM 1283 CG LYS A 81 16.413 -3.846 5.546 1.00 0.57 C ATOM 1284 CD LYS A 81 15.359 -2.745 5.626 1.00 0.98 C ATOM 1285 CE LYS A 81 13.937 -3.298 5.568 1.00 0.75 C ATOM 1286 NZ LYS A 81 13.095 -2.250 4.929 1.00 1.49 N ATOM 0 H LYS A 81 17.249 -5.008 1.719 1.00 0.11 H new ATOM 0 HA LYS A 81 18.443 -3.458 3.716 1.00 0.17 H new ATOM 0 HB2 LYS A 81 16.001 -3.654 3.395 1.00 0.30 H new ATOM 0 HB3 LYS A 81 16.036 -5.315 3.953 1.00 0.30 H new ATOM 0 HG2 LYS A 81 16.143 -4.674 6.202 1.00 0.57 H new ATOM 0 HG3 LYS A 81 17.377 -3.470 5.887 1.00 0.57 H new ATOM 0 HD2 LYS A 81 15.491 -2.185 6.552 1.00 0.98 H new ATOM 0 HD3 LYS A 81 15.507 -2.043 4.805 1.00 0.98 H new ATOM 0 HE2 LYS A 81 13.905 -4.224 4.993 1.00 0.75 H new ATOM 0 HE3 LYS A 81 13.572 -3.531 6.568 1.00 0.75 H new ATOM 0 HZ1 LYS A 81 12.123 -2.604 4.821 1.00 1.49 H new ATOM 0 HZ2 LYS A 81 13.090 -1.398 5.525 1.00 1.49 H new ATOM 0 HZ3 LYS A 81 13.483 -2.015 3.993 1.00 1.49 H new ATOM 1300 N LYS A 82 18.480 -6.669 4.382 1.00 0.22 N ATOM 1301 CA LYS A 82 19.043 -7.771 5.186 1.00 0.32 C ATOM 1302 C LYS A 82 20.540 -7.944 4.942 1.00 0.15 C ATOM 1303 O LYS A 82 21.346 -8.011 5.843 1.00 0.20 O ATOM 1304 CB LYS A 82 18.304 -9.047 4.810 1.00 0.51 C ATOM 1305 CG LYS A 82 16.768 -8.889 5.004 1.00 0.66 C ATOM 1306 CD LYS A 82 16.103 -10.228 4.554 1.00 1.05 C ATOM 1307 CE LYS A 82 14.555 -10.197 4.473 1.00 1.24 C ATOM 1308 NZ LYS A 82 14.113 -9.320 3.337 1.00 1.41 N ATOM 0 H LYS A 82 17.919 -6.984 3.590 1.00 0.22 H new ATOM 0 HA LYS A 82 18.917 -7.543 6.244 1.00 0.32 H new ATOM 0 HB2 LYS A 82 18.517 -9.301 3.772 1.00 0.51 H new ATOM 0 HB3 LYS A 82 18.667 -9.873 5.421 1.00 0.51 H new ATOM 0 HG2 LYS A 82 16.532 -8.674 6.046 1.00 0.66 H new ATOM 0 HG3 LYS A 82 16.390 -8.055 4.413 1.00 0.66 H new ATOM 0 HD2 LYS A 82 16.497 -10.501 3.575 1.00 1.05 H new ATOM 0 HD3 LYS A 82 16.400 -11.015 5.248 1.00 1.05 H new ATOM 0 HE2 LYS A 82 14.171 -11.207 4.333 1.00 1.24 H new ATOM 0 HE3 LYS A 82 14.142 -9.826 5.411 1.00 1.24 H new ATOM 0 HZ1 LYS A 82 13.074 -9.280 3.313 1.00 1.41 H new ATOM 0 HZ2 LYS A 82 14.494 -8.361 3.470 1.00 1.41 H new ATOM 0 HZ3 LYS A 82 14.465 -9.711 2.440 1.00 1.41 H new ATOM 1322 N LYS A 83 20.838 -8.027 3.689 1.00 0.09 N ATOM 1323 CA LYS A 83 22.219 -8.198 3.161 1.00 0.23 C ATOM 1324 C LYS A 83 23.206 -7.104 3.567 1.00 0.28 C ATOM 1325 O LYS A 83 24.284 -7.349 4.069 1.00 0.37 O ATOM 1326 CB LYS A 83 22.116 -8.226 1.677 1.00 0.23 C ATOM 1327 CG LYS A 83 21.292 -9.420 1.211 1.00 0.24 C ATOM 1328 CD LYS A 83 20.830 -9.158 -0.241 1.00 0.28 C ATOM 1329 CE LYS A 83 20.556 -10.518 -0.848 1.00 0.47 C ATOM 1330 NZ LYS A 83 20.210 -10.353 -2.291 1.00 1.42 N ATOM 0 H LYS A 83 20.132 -7.980 2.954 1.00 0.09 H new ATOM 0 HA LYS A 83 22.617 -9.118 3.588 1.00 0.23 H new ATOM 0 HB2 LYS A 83 21.658 -7.303 1.323 1.00 0.23 H new ATOM 0 HB3 LYS A 83 23.113 -8.275 1.240 1.00 0.23 H new ATOM 0 HG2 LYS A 83 21.885 -10.333 1.261 1.00 0.24 H new ATOM 0 HG3 LYS A 83 20.430 -9.564 1.863 1.00 0.24 H new ATOM 0 HD2 LYS A 83 19.935 -8.536 -0.259 1.00 0.28 H new ATOM 0 HD3 LYS A 83 21.598 -8.628 -0.804 1.00 0.28 H new ATOM 0 HE2 LYS A 83 21.431 -11.159 -0.743 1.00 0.47 H new ATOM 0 HE3 LYS A 83 19.738 -11.007 -0.319 1.00 0.47 H new ATOM 0 HZ1 LYS A 83 19.437 -11.003 -2.539 1.00 1.42 H new ATOM 0 HZ2 LYS A 83 19.908 -9.373 -2.466 1.00 1.42 H new ATOM 0 HZ3 LYS A 83 21.044 -10.567 -2.875 1.00 1.42 H new ATOM 1344 N TYR A 84 22.740 -5.919 3.305 1.00 0.25 N ATOM 1345 CA TYR A 84 23.528 -4.689 3.602 1.00 0.41 C ATOM 1346 C TYR A 84 23.032 -3.971 4.831 1.00 0.54 C ATOM 1347 O TYR A 84 23.894 -3.782 5.670 1.00 0.51 O ATOM 1348 CB TYR A 84 23.488 -3.795 2.305 1.00 0.41 C ATOM 1349 CG TYR A 84 24.049 -4.783 1.316 1.00 0.30 C ATOM 1350 CD1 TYR A 84 25.393 -5.071 1.330 1.00 1.61 C ATOM 1351 CD2 TYR A 84 23.203 -5.448 0.462 1.00 1.53 C ATOM 1352 CE1 TYR A 84 25.880 -6.036 0.491 1.00 1.72 C ATOM 1353 CE2 TYR A 84 23.685 -6.413 -0.374 1.00 1.40 C ATOM 1354 CZ TYR A 84 25.040 -6.707 -0.356 1.00 0.32 C ATOM 1355 OH TYR A 84 25.603 -7.658 -1.166 1.00 0.47 O ATOM 0 H TYR A 84 21.826 -5.745 2.888 1.00 0.25 H new ATOM 0 HA TYR A 84 24.560 -4.944 3.844 1.00 0.41 H new ATOM 0 HB2 TYR A 84 22.479 -3.470 2.049 1.00 0.41 H new ATOM 0 HB3 TYR A 84 24.099 -2.897 2.395 1.00 0.41 H new ATOM 0 HD1 TYR A 84 26.058 -4.541 1.996 1.00 1.61 H new ATOM 0 HD2 TYR A 84 22.151 -5.206 0.452 1.00 1.53 H new ATOM 0 HE1 TYR A 84 26.934 -6.270 0.497 1.00 1.72 H new ATOM 0 HE2 TYR A 84 23.020 -6.941 -1.041 1.00 1.40 H new ATOM 0 HH TYR A 84 24.913 -8.045 -1.745 1.00 0.47 H new ATOM 1365 N GLY A 85 21.778 -3.574 4.997 1.00 0.68 N ATOM 1366 CA GLY A 85 21.536 -2.890 6.305 1.00 0.81 C ATOM 1367 C GLY A 85 21.477 -1.411 6.138 1.00 1.20 C ATOM 1368 O GLY A 85 22.453 -0.688 6.217 1.00 1.59 O ATOM 0 H GLY A 85 20.993 -3.681 4.355 1.00 0.68 H new ATOM 0 HA2 GLY A 85 20.601 -3.247 6.737 1.00 0.81 H new ATOM 0 HA3 GLY A 85 22.330 -3.148 7.005 1.00 0.81 H new ATOM 1372 N ILE A 86 20.283 -1.006 5.911 1.00 1.23 N ATOM 1373 CA ILE A 86 20.039 0.430 5.729 1.00 1.73 C ATOM 1374 C ILE A 86 20.129 1.034 7.155 1.00 2.70 C ATOM 1375 O ILE A 86 19.810 0.346 8.117 1.00 2.44 O ATOM 1376 CB ILE A 86 18.617 0.520 4.990 1.00 1.00 C ATOM 1377 CG1 ILE A 86 17.590 1.251 5.887 1.00 1.16 C ATOM 1378 CG2 ILE A 86 17.949 -0.851 4.714 1.00 1.40 C ATOM 1379 CD1 ILE A 86 17.129 2.555 5.266 1.00 1.02 C ATOM 1380 OXT ILE A 86 20.553 2.173 7.216 1.00 3.95 O ATOM 0 H ILE A 86 19.461 -1.606 5.843 1.00 1.23 H new ATOM 0 HA ILE A 86 20.739 0.994 5.112 1.00 1.73 H new ATOM 0 HB ILE A 86 18.844 1.029 4.053 1.00 1.00 H new ATOM 0 HG12 ILE A 86 16.729 0.604 6.056 1.00 1.16 H new ATOM 0 HG13 ILE A 86 18.035 1.450 6.862 1.00 1.16 H new ATOM 0 HG21 ILE A 86 16.994 -0.696 4.213 1.00 1.40 H new ATOM 0 HG22 ILE A 86 18.599 -1.451 4.078 1.00 1.40 H new ATOM 0 HG23 ILE A 86 17.784 -1.372 5.657 1.00 1.40 H new ATOM 0 HD11 ILE A 86 16.409 3.038 5.926 1.00 1.02 H new ATOM 0 HD12 ILE A 86 17.986 3.212 5.122 1.00 1.02 H new ATOM 0 HD13 ILE A 86 16.660 2.354 4.303 1.00 1.02 H new