USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 660 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 26 LYS NZ :NH3+ -158:sc= 1.28 (180deg=-0.921) USER MOD Set 1.2: A 66 THR OG1 : rot 70:sc= -2.48! USER MOD Set 1.3: A 67 ASN :FLIP amide:sc= 1.2 F(o=-1.8,f=-0.12) USER MOD Set 1.4: A 89 THR OG1 : rot 127:sc= -0.124! USER MOD Set 2.1: A 34 THR OG1 : rot 159:sc= 1.22 USER MOD Set 2.2: A 37 THR OG1 : rot -119:sc= 0.263 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0201) USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= -2.41! (180deg=-3.53!) USER MOD Single : A 4 THR OG1 : rot 74:sc= 0.986 USER MOD Single : A 8 ASN : amide:sc= -0.893 K(o=-0.89,f=-7.3!) USER MOD Single : A 9 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.35) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 154:sc= -0.376 (180deg=-1.52!) USER MOD Single : A 17 TYR OH : rot -124:sc= 1.22 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 21 SER OG : rot 42:sc= 1.31 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 80:sc= 0.114 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc=-0.00218 X(o=-0.0022,f=0) USER MOD Single : A 65 MET CE :methyl -154:sc= -1.43 (180deg=-3.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -90:sc= 0.392 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0829 USER MOD Single : A 71 SER OG : rot 97:sc= 1.28 USER MOD Single : A 82 SER OG : rot 38:sc= 0.0315 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.236 6.144 4.537 1.00 0.00 N ATOM 2 CA MET A 1 9.031 6.924 4.178 1.00 0.00 C ATOM 3 C MET A 1 8.138 6.144 3.227 1.00 0.00 C ATOM 4 O MET A 1 6.984 5.867 3.547 1.00 0.00 O ATOM 5 CB MET A 1 9.426 8.254 3.531 1.00 0.00 C ATOM 6 CG MET A 1 10.074 9.237 4.491 1.00 0.00 C ATOM 7 SD MET A 1 8.977 9.700 5.844 1.00 0.00 S ATOM 8 CE MET A 1 10.009 10.869 6.722 1.00 0.00 C ATOM 0 H1 MET A 1 10.794 6.671 5.239 1.00 0.00 H new ATOM 0 H2 MET A 1 9.950 5.228 4.939 1.00 0.00 H new ATOM 0 H3 MET A 1 10.812 5.984 3.686 1.00 0.00 H new ATOM 0 HA MET A 1 8.478 7.120 5.097 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.114 8.057 2.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.538 8.715 3.099 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.984 8.796 4.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.371 10.132 3.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.471 11.249 7.590 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.923 10.373 7.050 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.263 11.698 6.061 1.00 0.00 H new ATOM 20 N VAL A 2 8.690 5.782 2.072 1.00 0.00 N ATOM 21 CA VAL A 2 7.932 5.124 1.012 1.00 0.00 C ATOM 22 C VAL A 2 6.832 6.048 0.495 1.00 0.00 C ATOM 23 O VAL A 2 5.724 6.084 1.028 1.00 0.00 O ATOM 24 CB VAL A 2 7.318 3.777 1.467 1.00 0.00 C ATOM 25 CG1 VAL A 2 6.570 3.111 0.319 1.00 0.00 C ATOM 26 CG2 VAL A 2 8.394 2.848 2.014 1.00 0.00 C ATOM 0 H VAL A 2 9.672 5.936 1.845 1.00 0.00 H new ATOM 0 HA VAL A 2 8.636 4.905 0.209 1.00 0.00 H new ATOM 0 HB VAL A 2 6.607 3.983 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.147 2.166 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.768 3.766 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.259 2.923 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.939 1.908 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.134 2.652 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.880 3.318 2.869 1.00 0.00 H new ATOM 36 N LYS A 3 7.161 6.830 -0.518 1.00 0.00 N ATOM 37 CA LYS A 3 6.204 7.750 -1.108 1.00 0.00 C ATOM 38 C LYS A 3 5.910 7.335 -2.544 1.00 0.00 C ATOM 39 O LYS A 3 4.877 7.688 -3.115 1.00 0.00 O ATOM 40 CB LYS A 3 6.757 9.176 -1.051 1.00 0.00 C ATOM 41 CG LYS A 3 5.762 10.250 -1.466 1.00 0.00 C ATOM 42 CD LYS A 3 6.295 11.648 -1.189 1.00 0.00 C ATOM 43 CE LYS A 3 6.115 12.061 0.270 1.00 0.00 C ATOM 44 NZ LYS A 3 6.833 11.166 1.222 1.00 0.00 N ATOM 0 H LYS A 3 8.085 6.846 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 3 5.271 7.721 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.094 9.382 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.633 9.240 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.540 10.149 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.825 10.105 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.353 11.688 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.782 12.363 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.473 13.082 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.052 12.063 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.981 11.664 2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.266 10.310 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.754 10.898 0.820 1.00 0.00 H new ATOM 58 N THR A 4 6.832 6.582 -3.118 1.00 0.00 N ATOM 59 CA THR A 4 6.679 6.083 -4.467 1.00 0.00 C ATOM 60 C THR A 4 6.163 4.645 -4.445 1.00 0.00 C ATOM 61 O THR A 4 6.946 3.692 -4.389 1.00 0.00 O ATOM 62 CB THR A 4 8.017 6.145 -5.223 1.00 0.00 C ATOM 63 OG1 THR A 4 8.745 7.314 -4.815 1.00 0.00 O ATOM 64 CG2 THR A 4 7.789 6.188 -6.726 1.00 0.00 C ATOM 0 H THR A 4 7.701 6.303 -2.663 1.00 0.00 H new ATOM 0 HA THR A 4 5.955 6.713 -4.984 1.00 0.00 H new ATOM 0 HB THR A 4 8.590 5.249 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.110 7.175 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.750 6.232 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.251 5.293 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.202 7.071 -6.980 1.00 0.00 H new ATOM 72 N LEU A 5 4.845 4.498 -4.446 1.00 0.00 N ATOM 73 CA LEU A 5 4.215 3.187 -4.420 1.00 0.00 C ATOM 74 C LEU A 5 3.099 3.119 -5.454 1.00 0.00 C ATOM 75 O LEU A 5 2.349 4.080 -5.635 1.00 0.00 O ATOM 76 CB LEU A 5 3.666 2.891 -3.017 1.00 0.00 C ATOM 77 CG LEU A 5 3.005 1.522 -2.841 1.00 0.00 C ATOM 78 CD1 LEU A 5 3.994 0.408 -3.124 1.00 0.00 C ATOM 79 CD2 LEU A 5 2.443 1.376 -1.437 1.00 0.00 C ATOM 0 H LEU A 5 4.188 5.278 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 5 4.962 2.433 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.484 2.974 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.939 3.661 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 5 2.185 1.449 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.503 -0.556 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.356 0.495 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.835 0.484 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.977 0.396 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.249 1.475 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.699 2.152 -1.260 1.00 0.00 H new ATOM 91 N ARG A 6 3.007 1.993 -6.142 1.00 0.00 N ATOM 92 CA ARG A 6 2.005 1.800 -7.176 1.00 0.00 C ATOM 93 C ARG A 6 1.335 0.439 -7.022 1.00 0.00 C ATOM 94 O ARG A 6 2.006 -0.588 -6.888 1.00 0.00 O ATOM 95 CB ARG A 6 2.658 1.912 -8.555 1.00 0.00 C ATOM 96 CG ARG A 6 1.697 1.721 -9.718 1.00 0.00 C ATOM 97 CD ARG A 6 2.430 1.759 -11.050 1.00 0.00 C ATOM 98 NE ARG A 6 3.018 3.072 -11.327 1.00 0.00 N ATOM 99 CZ ARG A 6 4.329 3.304 -11.408 1.00 0.00 C ATOM 100 NH1 ARG A 6 5.195 2.311 -11.234 1.00 0.00 N ATOM 101 NH2 ARG A 6 4.775 4.532 -11.668 1.00 0.00 N ATOM 0 H ARG A 6 3.621 1.191 -6.000 1.00 0.00 H new ATOM 0 HA ARG A 6 1.243 2.573 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.128 2.892 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.453 1.170 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.179 0.768 -9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.936 2.501 -9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.217 1.004 -11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.737 1.498 -11.850 1.00 0.00 H new ATOM 0 HE ARG A 6 2.384 3.859 -11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.858 1.369 -11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.197 2.491 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.114 5.296 -11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.778 4.708 -11.730 1.00 0.00 H new ATOM 115 N LEU A 7 0.014 0.438 -7.024 1.00 0.00 N ATOM 116 CA LEU A 7 -0.750 -0.797 -6.988 1.00 0.00 C ATOM 117 C LEU A 7 -1.202 -1.135 -8.399 1.00 0.00 C ATOM 118 O LEU A 7 -2.017 -0.420 -8.970 1.00 0.00 O ATOM 119 CB LEU A 7 -1.958 -0.666 -6.052 1.00 0.00 C ATOM 120 CG LEU A 7 -1.621 -0.357 -4.591 1.00 0.00 C ATOM 121 CD1 LEU A 7 -2.893 -0.188 -3.775 1.00 0.00 C ATOM 122 CD2 LEU A 7 -0.745 -1.454 -4.001 1.00 0.00 C ATOM 0 H LEU A 7 -0.555 1.284 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.121 -1.599 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.608 0.122 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.528 -1.595 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.065 0.580 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.634 0.031 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.481 0.634 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.477 -1.108 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.516 -1.217 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.273 -2.406 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.182 -1.525 -4.570 1.00 0.00 H new ATOM 134 N ASN A 8 -0.654 -2.220 -8.946 1.00 0.00 N ATOM 135 CA ASN A 8 -0.844 -2.613 -10.352 1.00 0.00 C ATOM 136 C ASN A 8 -0.605 -1.438 -11.314 1.00 0.00 C ATOM 137 O ASN A 8 0.537 -1.146 -11.658 1.00 0.00 O ATOM 138 CB ASN A 8 -2.203 -3.319 -10.619 1.00 0.00 C ATOM 139 CG ASN A 8 -3.443 -2.569 -10.140 1.00 0.00 C ATOM 140 OD1 ASN A 8 -3.983 -1.721 -10.850 1.00 0.00 O ATOM 141 ND2 ASN A 8 -3.931 -2.910 -8.956 1.00 0.00 N ATOM 0 H ASN A 8 -0.058 -2.862 -8.423 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.079 -3.362 -10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.297 -3.492 -11.691 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.184 -4.297 -10.138 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.780 -2.465 -8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.457 -3.617 -8.394 1.00 0.00 H new ATOM 148 N ASN A 9 -1.661 -0.757 -11.726 1.00 0.00 N ATOM 149 CA ASN A 9 -1.542 0.359 -12.658 1.00 0.00 C ATOM 150 C ASN A 9 -1.860 1.674 -11.950 1.00 0.00 C ATOM 151 O ASN A 9 -1.702 2.759 -12.504 1.00 0.00 O ATOM 152 CB ASN A 9 -2.489 0.135 -13.847 1.00 0.00 C ATOM 153 CG ASN A 9 -2.493 1.280 -14.843 1.00 0.00 C ATOM 154 OD1 ASN A 9 -3.308 2.201 -14.745 1.00 0.00 O ATOM 155 ND2 ASN A 9 -1.592 1.230 -15.809 1.00 0.00 N ATOM 0 H ASN A 9 -2.616 -0.956 -11.430 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.519 0.415 -13.029 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.203 -0.782 -14.361 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.502 -0.013 -13.472 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.553 1.971 -16.509 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.936 0.451 -15.854 1.00 0.00 H new ATOM 162 N VAL A 10 -2.260 1.569 -10.697 1.00 0.00 N ATOM 163 CA VAL A 10 -2.756 2.708 -9.956 1.00 0.00 C ATOM 164 C VAL A 10 -1.687 3.241 -9.015 1.00 0.00 C ATOM 165 O VAL A 10 -1.360 2.604 -8.014 1.00 0.00 O ATOM 166 CB VAL A 10 -4.006 2.333 -9.130 1.00 0.00 C ATOM 167 CG1 VAL A 10 -4.669 3.578 -8.559 1.00 0.00 C ATOM 168 CG2 VAL A 10 -4.991 1.529 -9.970 1.00 0.00 C ATOM 0 H VAL A 10 -2.250 0.697 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.023 3.477 -10.681 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.686 1.708 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.547 3.290 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.965 4.101 -7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.971 4.236 -9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.863 1.277 -9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.304 2.121 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.512 0.613 -10.315 1.00 0.00 H new ATOM 178 N THR A 11 -1.120 4.388 -9.358 1.00 0.00 N ATOM 179 CA THR A 11 -0.190 5.064 -8.471 1.00 0.00 C ATOM 180 C THR A 11 -0.905 5.409 -7.162 1.00 0.00 C ATOM 181 O THR A 11 -2.044 5.883 -7.171 1.00 0.00 O ATOM 182 CB THR A 11 0.393 6.340 -9.128 1.00 0.00 C ATOM 183 OG1 THR A 11 1.219 7.057 -8.205 1.00 0.00 O ATOM 184 CG2 THR A 11 -0.714 7.248 -9.638 1.00 0.00 C ATOM 0 H THR A 11 -1.288 4.868 -10.242 1.00 0.00 H new ATOM 0 HA THR A 11 0.647 4.396 -8.265 1.00 0.00 H new ATOM 0 HB THR A 11 1.002 6.023 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.578 7.858 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.275 8.136 -10.094 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.309 6.715 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.353 7.545 -8.806 1.00 0.00 H new ATOM 192 N LEU A 12 -0.254 5.146 -6.043 1.00 0.00 N ATOM 193 CA LEU A 12 -0.916 5.230 -4.751 1.00 0.00 C ATOM 194 C LEU A 12 -0.450 6.440 -3.948 1.00 0.00 C ATOM 195 O LEU A 12 0.707 6.847 -4.027 1.00 0.00 O ATOM 196 CB LEU A 12 -0.658 3.945 -3.959 1.00 0.00 C ATOM 197 CG LEU A 12 -1.394 3.833 -2.623 1.00 0.00 C ATOM 198 CD1 LEU A 12 -2.898 3.767 -2.839 1.00 0.00 C ATOM 199 CD2 LEU A 12 -0.913 2.613 -1.859 1.00 0.00 C ATOM 0 H LEU A 12 0.728 4.874 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.985 5.349 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.938 3.094 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.413 3.864 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.175 4.723 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.401 3.688 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.232 4.670 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.140 2.896 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.445 2.545 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.105 1.716 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.157 2.701 -1.670 1.00 0.00 H new ATOM 211 N GLU A 13 -1.370 7.005 -3.180 1.00 0.00 N ATOM 212 CA GLU A 13 -1.056 8.082 -2.257 1.00 0.00 C ATOM 213 C GLU A 13 -1.460 7.651 -0.852 1.00 0.00 C ATOM 214 O GLU A 13 -2.382 6.851 -0.685 1.00 0.00 O ATOM 215 CB GLU A 13 -1.774 9.373 -2.666 1.00 0.00 C ATOM 216 CG GLU A 13 -1.382 10.582 -1.830 1.00 0.00 C ATOM 217 CD GLU A 13 -1.978 11.872 -2.354 1.00 0.00 C ATOM 218 OE1 GLU A 13 -1.419 12.437 -3.320 1.00 0.00 O ATOM 219 OE2 GLU A 13 -2.998 12.335 -1.803 1.00 0.00 O ATOM 0 H GLU A 13 -2.352 6.730 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 13 0.014 8.287 -2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.559 9.582 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.850 9.221 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.707 10.428 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.296 10.669 -1.812 1.00 0.00 H new ATOM 226 N MET A 14 -0.773 8.170 0.153 1.00 0.00 N ATOM 227 CA MET A 14 -0.968 7.718 1.517 1.00 0.00 C ATOM 228 C MET A 14 -0.793 8.861 2.497 1.00 0.00 C ATOM 229 O MET A 14 -0.243 9.911 2.159 1.00 0.00 O ATOM 230 CB MET A 14 0.025 6.601 1.842 1.00 0.00 C ATOM 231 CG MET A 14 1.468 6.988 1.582 1.00 0.00 C ATOM 232 SD MET A 14 2.577 5.575 1.609 1.00 0.00 S ATOM 233 CE MET A 14 1.900 4.600 0.270 1.00 0.00 C ATOM 0 H MET A 14 -0.075 8.906 0.047 1.00 0.00 H new ATOM 0 HA MET A 14 -1.986 7.338 1.609 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.085 6.319 2.889 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.221 5.721 1.247 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.539 7.483 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.788 7.711 2.333 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.681 3.966 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.090 3.976 0.648 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.516 5.263 -0.505 1.00 0.00 H new ATOM 243 N ALA A 15 -1.266 8.646 3.708 1.00 0.00 N ATOM 244 CA ALA A 15 -1.136 9.630 4.767 1.00 0.00 C ATOM 245 C ALA A 15 -0.265 9.085 5.887 1.00 0.00 C ATOM 246 O ALA A 15 0.630 9.768 6.382 1.00 0.00 O ATOM 247 CB ALA A 15 -2.506 10.007 5.295 1.00 0.00 C ATOM 0 H ALA A 15 -1.748 7.791 3.986 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.659 10.523 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.399 10.746 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.104 10.427 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.001 9.119 5.689 1.00 0.00 H new ATOM 253 N ALA A 16 -0.528 7.842 6.272 1.00 0.00 N ATOM 254 CA ALA A 16 0.265 7.176 7.290 1.00 0.00 C ATOM 255 C ALA A 16 0.581 5.745 6.871 1.00 0.00 C ATOM 256 O ALA A 16 -0.168 4.814 7.163 1.00 0.00 O ATOM 257 CB ALA A 16 -0.447 7.208 8.637 1.00 0.00 C ATOM 0 H ALA A 16 -1.287 7.276 5.892 1.00 0.00 H new ATOM 0 HA ALA A 16 1.207 7.713 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.165 6.703 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.608 8.243 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.408 6.701 8.553 1.00 0.00 H new ATOM 263 N TYR A 17 1.662 5.596 6.126 1.00 0.00 N ATOM 264 CA TYR A 17 2.164 4.281 5.741 1.00 0.00 C ATOM 265 C TYR A 17 2.811 3.590 6.938 1.00 0.00 C ATOM 266 O TYR A 17 3.811 4.066 7.470 1.00 0.00 O ATOM 267 CB TYR A 17 3.184 4.428 4.611 1.00 0.00 C ATOM 268 CG TYR A 17 3.624 3.117 3.996 1.00 0.00 C ATOM 269 CD1 TYR A 17 2.811 2.448 3.090 1.00 0.00 C ATOM 270 CD2 TYR A 17 4.856 2.555 4.311 1.00 0.00 C ATOM 271 CE1 TYR A 17 3.211 1.258 2.517 1.00 0.00 C ATOM 272 CE2 TYR A 17 5.264 1.366 3.739 1.00 0.00 C ATOM 273 CZ TYR A 17 4.436 0.722 2.843 1.00 0.00 C ATOM 274 OH TYR A 17 4.837 -0.460 2.266 1.00 0.00 O ATOM 0 H TYR A 17 2.216 6.375 5.771 1.00 0.00 H new ATOM 0 HA TYR A 17 1.329 3.672 5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.756 5.057 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.061 4.949 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.850 2.866 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.504 3.056 5.014 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.566 0.750 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.225 0.943 3.992 1.00 0.00 H new ATOM 0 HH TYR A 17 5.058 -1.108 2.967 1.00 0.00 H new ATOM 284 N GLN A 18 2.229 2.479 7.366 1.00 0.00 N ATOM 285 CA GLN A 18 2.729 1.758 8.524 1.00 0.00 C ATOM 286 C GLN A 18 2.835 0.263 8.234 1.00 0.00 C ATOM 287 O GLN A 18 1.829 -0.444 8.204 1.00 0.00 O ATOM 288 CB GLN A 18 1.802 1.995 9.720 1.00 0.00 C ATOM 289 CG GLN A 18 2.259 1.302 10.989 1.00 0.00 C ATOM 290 CD GLN A 18 1.260 1.419 12.122 1.00 0.00 C ATOM 291 OE1 GLN A 18 0.050 1.492 11.905 1.00 0.00 O ATOM 292 NE2 GLN A 18 1.762 1.453 13.344 1.00 0.00 N ATOM 0 H GLN A 18 1.410 2.058 6.927 1.00 0.00 H new ATOM 0 HA GLN A 18 3.726 2.130 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.730 3.066 9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.800 1.648 9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.437 0.248 10.776 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.211 1.728 11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.771 1.390 13.483 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.141 1.542 14.148 1.00 0.00 H new ATOM 301 N GLU A 19 4.044 -0.221 7.996 1.00 0.00 N ATOM 302 CA GLU A 19 4.245 -1.649 7.815 1.00 0.00 C ATOM 303 C GLU A 19 5.101 -2.214 8.938 1.00 0.00 C ATOM 304 O GLU A 19 6.067 -1.587 9.378 1.00 0.00 O ATOM 305 CB GLU A 19 4.864 -1.973 6.445 1.00 0.00 C ATOM 306 CG GLU A 19 6.272 -1.432 6.234 1.00 0.00 C ATOM 307 CD GLU A 19 6.915 -1.967 4.965 1.00 0.00 C ATOM 308 OE1 GLU A 19 6.327 -1.800 3.881 1.00 0.00 O ATOM 309 OE2 GLU A 19 8.021 -2.549 5.042 1.00 0.00 O ATOM 0 H GLU A 19 4.890 0.345 7.924 1.00 0.00 H new ATOM 0 HA GLU A 19 3.264 -2.124 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.883 -3.055 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.216 -1.572 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.237 -0.343 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.892 -1.696 7.091 1.00 0.00 H new ATOM 316 N GLU A 20 4.711 -3.373 9.432 1.00 0.00 N ATOM 317 CA GLU A 20 5.497 -4.082 10.425 1.00 0.00 C ATOM 318 C GLU A 20 6.449 -5.024 9.704 1.00 0.00 C ATOM 319 O GLU A 20 6.024 -6.010 9.106 1.00 0.00 O ATOM 320 CB GLU A 20 4.579 -4.842 11.392 1.00 0.00 C ATOM 321 CG GLU A 20 5.298 -5.422 12.600 1.00 0.00 C ATOM 322 CD GLU A 20 4.338 -5.952 13.647 1.00 0.00 C ATOM 323 OE1 GLU A 20 3.963 -7.142 13.576 1.00 0.00 O ATOM 324 OE2 GLU A 20 3.957 -5.181 14.556 1.00 0.00 O ATOM 0 H GLU A 20 3.849 -3.847 9.160 1.00 0.00 H new ATOM 0 HA GLU A 20 6.076 -3.376 11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.795 -4.168 11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.088 -5.651 10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.957 -6.227 12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.930 -4.654 13.046 1.00 0.00 H new ATOM 331 N SER A 21 7.729 -4.684 9.730 1.00 0.00 N ATOM 332 CA SER A 21 8.738 -5.415 8.979 1.00 0.00 C ATOM 333 C SER A 21 9.062 -6.761 9.612 1.00 0.00 C ATOM 334 O SER A 21 9.562 -7.668 8.945 1.00 0.00 O ATOM 335 CB SER A 21 10.004 -4.567 8.872 1.00 0.00 C ATOM 336 OG SER A 21 10.266 -3.880 10.090 1.00 0.00 O ATOM 0 H SER A 21 8.096 -3.899 10.268 1.00 0.00 H new ATOM 0 HA SER A 21 8.337 -5.615 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.852 -5.204 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.895 -3.847 8.061 1.00 0.00 H new ATOM 0 HG SER A 21 10.108 -4.483 10.846 1.00 0.00 H new ATOM 342 N GLU A 22 8.770 -6.885 10.890 1.00 0.00 N ATOM 343 CA GLU A 22 9.147 -8.067 11.641 1.00 0.00 C ATOM 344 C GLU A 22 8.114 -9.157 11.523 1.00 0.00 C ATOM 345 O GLU A 22 6.990 -8.888 11.114 1.00 0.00 O ATOM 346 CB GLU A 22 9.446 -7.698 13.082 1.00 0.00 C ATOM 347 CG GLU A 22 10.525 -6.650 13.195 1.00 0.00 C ATOM 348 CD GLU A 22 9.972 -5.255 13.393 1.00 0.00 C ATOM 349 OE1 GLU A 22 9.472 -4.656 12.416 1.00 0.00 O ATOM 350 OE2 GLU A 22 10.036 -4.750 14.532 1.00 0.00 O ATOM 0 H GLU A 22 8.271 -6.180 11.433 1.00 0.00 H new ATOM 0 HA GLU A 22 10.061 -8.475 11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.536 -7.331 13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.752 -8.591 13.627 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.179 -6.898 14.031 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.138 -6.668 12.294 1.00 0.00 H new ATOM 357 N PRO A 23 8.452 -10.346 12.074 1.00 0.00 N ATOM 358 CA PRO A 23 8.265 -11.675 11.523 1.00 0.00 C ATOM 359 C PRO A 23 7.569 -11.859 10.157 1.00 0.00 C ATOM 360 O PRO A 23 7.745 -12.900 9.518 1.00 0.00 O ATOM 361 CB PRO A 23 7.506 -12.361 12.650 1.00 0.00 C ATOM 362 CG PRO A 23 8.022 -11.697 13.898 1.00 0.00 C ATOM 363 CD PRO A 23 8.915 -10.559 13.446 1.00 0.00 C ATOM 0 HA PRO A 23 9.236 -12.085 11.244 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.429 -12.228 12.544 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.695 -13.434 12.662 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.199 -11.325 14.507 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.578 -12.405 14.512 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.789 -9.670 14.063 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.971 -10.827 13.485 1.00 0.00 H new ATOM 371 N LYS A 24 6.807 -10.889 9.719 1.00 0.00 N ATOM 372 CA LYS A 24 6.070 -10.959 8.476 1.00 0.00 C ATOM 373 C LYS A 24 5.560 -9.574 8.130 1.00 0.00 C ATOM 374 O LYS A 24 4.774 -9.002 8.881 1.00 0.00 O ATOM 375 CB LYS A 24 4.899 -11.930 8.597 1.00 0.00 C ATOM 376 CG LYS A 24 5.097 -13.208 7.806 1.00 0.00 C ATOM 377 CD LYS A 24 3.936 -14.173 7.972 1.00 0.00 C ATOM 378 CE LYS A 24 3.712 -14.545 9.429 1.00 0.00 C ATOM 379 NZ LYS A 24 2.851 -15.750 9.563 1.00 0.00 N ATOM 0 H LYS A 24 6.677 -10.012 10.223 1.00 0.00 H new ATOM 0 HA LYS A 24 6.730 -11.321 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.750 -12.180 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.989 -11.436 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.216 -12.965 6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.019 -13.693 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.029 -13.723 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.129 -15.076 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.673 -14.729 9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.250 -13.708 9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.721 -15.973 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.925 -15.565 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.304 -16.555 9.086 1.00 0.00 H new ATOM 393 N ARG A 25 6.019 -9.045 7.003 1.00 0.00 N ATOM 394 CA ARG A 25 5.714 -7.676 6.615 1.00 0.00 C ATOM 395 C ARG A 25 4.215 -7.434 6.543 1.00 0.00 C ATOM 396 O ARG A 25 3.536 -7.878 5.619 1.00 0.00 O ATOM 397 CB ARG A 25 6.373 -7.348 5.280 1.00 0.00 C ATOM 398 CG ARG A 25 6.052 -5.959 4.755 1.00 0.00 C ATOM 399 CD ARG A 25 6.943 -5.598 3.581 1.00 0.00 C ATOM 400 NE ARG A 25 8.320 -5.338 4.004 1.00 0.00 N ATOM 401 CZ ARG A 25 9.291 -6.255 4.014 1.00 0.00 C ATOM 402 NH1 ARG A 25 9.041 -7.509 3.653 1.00 0.00 N ATOM 403 NH2 ARG A 25 10.514 -5.919 4.397 1.00 0.00 N ATOM 0 H ARG A 25 6.607 -9.548 6.339 1.00 0.00 H new ATOM 0 HA ARG A 25 6.116 -7.014 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.454 -7.444 5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.059 -8.086 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.007 -5.915 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.181 -5.227 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.933 -6.410 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.544 -4.716 3.079 1.00 0.00 H new ATOM 0 HE ARG A 25 8.553 -4.394 4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.101 -7.779 3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.790 -8.202 3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.713 -4.961 4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.256 -6.619 4.405 1.00 0.00 H new ATOM 417 N LYS A 26 3.704 -6.752 7.548 1.00 0.00 N ATOM 418 CA LYS A 26 2.302 -6.397 7.595 1.00 0.00 C ATOM 419 C LYS A 26 2.133 -4.953 7.147 1.00 0.00 C ATOM 420 O LYS A 26 2.396 -4.028 7.914 1.00 0.00 O ATOM 421 CB LYS A 26 1.777 -6.588 9.020 1.00 0.00 C ATOM 422 CG LYS A 26 0.267 -6.512 9.145 1.00 0.00 C ATOM 423 CD LYS A 26 -0.176 -6.725 10.582 1.00 0.00 C ATOM 424 CE LYS A 26 -1.686 -6.819 10.689 1.00 0.00 C ATOM 425 NZ LYS A 26 -2.221 -8.043 10.033 1.00 0.00 N ATOM 0 H LYS A 26 4.246 -6.430 8.350 1.00 0.00 H new ATOM 0 HA LYS A 26 1.731 -7.039 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.112 -7.556 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.222 -5.829 9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.081 -5.540 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.192 -7.265 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.275 -7.638 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.183 -5.903 11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.975 -6.816 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.136 -5.938 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.224 -7.900 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.684 -8.234 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.130 -8.852 10.680 1.00 0.00 H new ATOM 439 N ILE A 27 1.719 -4.761 5.904 1.00 0.00 N ATOM 440 CA ILE A 27 1.611 -3.423 5.342 1.00 0.00 C ATOM 441 C ILE A 27 0.228 -2.845 5.589 1.00 0.00 C ATOM 442 O ILE A 27 -0.737 -3.218 4.933 1.00 0.00 O ATOM 443 CB ILE A 27 1.891 -3.407 3.824 1.00 0.00 C ATOM 444 CG1 ILE A 27 3.231 -4.082 3.514 1.00 0.00 C ATOM 445 CG2 ILE A 27 1.881 -1.976 3.305 1.00 0.00 C ATOM 446 CD1 ILE A 27 3.553 -4.134 2.035 1.00 0.00 C ATOM 0 H ILE A 27 1.453 -5.512 5.267 1.00 0.00 H new ATOM 0 HA ILE A 27 2.365 -2.815 5.842 1.00 0.00 H new ATOM 0 HB ILE A 27 1.104 -3.968 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.027 -3.547 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.218 -5.097 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.080 -1.976 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.906 -1.528 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.651 -1.398 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.515 -4.625 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.777 -4.694 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.599 -3.120 1.637 1.00 0.00 H new ATOM 458 N ALA A 28 0.133 -1.947 6.549 1.00 0.00 N ATOM 459 CA ALA A 28 -1.116 -1.267 6.829 1.00 0.00 C ATOM 460 C ALA A 28 -0.977 0.212 6.514 1.00 0.00 C ATOM 461 O ALA A 28 -0.510 0.993 7.343 1.00 0.00 O ATOM 462 CB ALA A 28 -1.519 -1.473 8.283 1.00 0.00 C ATOM 0 H ALA A 28 0.909 -1.670 7.151 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.899 -1.687 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.459 -0.956 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.644 -2.538 8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.743 -1.073 8.936 1.00 0.00 H new ATOM 468 N PHE A 29 -1.341 0.602 5.305 1.00 0.00 N ATOM 469 CA PHE A 29 -1.190 1.991 4.918 1.00 0.00 C ATOM 470 C PHE A 29 -2.493 2.749 5.110 1.00 0.00 C ATOM 471 O PHE A 29 -3.566 2.310 4.684 1.00 0.00 O ATOM 472 CB PHE A 29 -0.655 2.141 3.482 1.00 0.00 C ATOM 473 CG PHE A 29 -1.580 1.694 2.379 1.00 0.00 C ATOM 474 CD1 PHE A 29 -1.563 0.383 1.929 1.00 0.00 C ATOM 475 CD2 PHE A 29 -2.434 2.598 1.765 1.00 0.00 C ATOM 476 CE1 PHE A 29 -2.384 -0.018 0.892 1.00 0.00 C ATOM 477 CE2 PHE A 29 -3.260 2.201 0.732 1.00 0.00 C ATOM 478 CZ PHE A 29 -3.232 0.893 0.292 1.00 0.00 C ATOM 0 H PHE A 29 -1.735 -0.009 4.589 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.441 2.432 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.406 3.189 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.273 1.576 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.901 -0.333 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.453 3.625 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.363 -1.043 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.927 2.913 0.269 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.872 0.582 -0.520 1.00 0.00 H new ATOM 488 N THR A 30 -2.383 3.870 5.796 1.00 0.00 N ATOM 489 CA THR A 30 -3.515 4.729 6.059 1.00 0.00 C ATOM 490 C THR A 30 -3.705 5.708 4.907 1.00 0.00 C ATOM 491 O THR A 30 -2.874 6.595 4.690 1.00 0.00 O ATOM 492 CB THR A 30 -3.304 5.507 7.369 1.00 0.00 C ATOM 493 OG1 THR A 30 -2.942 4.599 8.417 1.00 0.00 O ATOM 494 CG2 THR A 30 -4.556 6.263 7.765 1.00 0.00 C ATOM 0 H THR A 30 -1.504 4.209 6.186 1.00 0.00 H new ATOM 0 HA THR A 30 -4.406 4.109 6.156 1.00 0.00 H new ATOM 0 HB THR A 30 -2.503 6.229 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.991 4.375 8.342 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.376 6.803 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.817 6.971 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.376 5.559 7.907 1.00 0.00 H new ATOM 502 N LEU A 31 -4.780 5.520 4.160 1.00 0.00 N ATOM 503 CA LEU A 31 -5.082 6.364 3.014 1.00 0.00 C ATOM 504 C LEU A 31 -6.052 7.476 3.417 1.00 0.00 C ATOM 505 O LEU A 31 -6.980 7.247 4.192 1.00 0.00 O ATOM 506 CB LEU A 31 -5.654 5.492 1.884 1.00 0.00 C ATOM 507 CG LEU A 31 -5.997 6.208 0.574 1.00 0.00 C ATOM 508 CD1 LEU A 31 -5.896 5.237 -0.593 1.00 0.00 C ATOM 509 CD2 LEU A 31 -7.403 6.791 0.639 1.00 0.00 C ATOM 0 H LEU A 31 -5.465 4.783 4.328 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.172 6.843 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.934 4.704 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.557 5.005 2.253 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.286 7.021 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.142 5.755 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.880 4.846 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.594 4.413 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.631 7.296 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.122 5.989 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.463 7.506 1.460 1.00 0.00 H new ATOM 521 N ASN A 32 -5.831 8.675 2.892 1.00 0.00 N ATOM 522 CA ASN A 32 -6.646 9.836 3.243 1.00 0.00 C ATOM 523 C ASN A 32 -7.926 9.875 2.411 1.00 0.00 C ATOM 524 O ASN A 32 -7.881 10.046 1.189 1.00 0.00 O ATOM 525 CB ASN A 32 -5.850 11.122 3.019 1.00 0.00 C ATOM 526 CG ASN A 32 -6.559 12.352 3.540 1.00 0.00 C ATOM 527 OD1 ASN A 32 -7.292 12.297 4.526 1.00 0.00 O ATOM 528 ND2 ASN A 32 -6.351 13.474 2.869 1.00 0.00 N ATOM 0 H ASN A 32 -5.091 8.871 2.218 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.917 9.754 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.880 11.033 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.658 11.244 1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.807 14.337 3.165 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.735 13.475 2.056 1.00 0.00 H new ATOM 535 N VAL A 33 -9.062 9.714 3.072 1.00 0.00 N ATOM 536 CA VAL A 33 -10.349 9.696 2.391 1.00 0.00 C ATOM 537 C VAL A 33 -11.051 11.038 2.531 1.00 0.00 C ATOM 538 O VAL A 33 -11.683 11.313 3.550 1.00 0.00 O ATOM 539 CB VAL A 33 -11.273 8.593 2.938 1.00 0.00 C ATOM 540 CG1 VAL A 33 -12.443 8.358 1.992 1.00 0.00 C ATOM 541 CG2 VAL A 33 -10.490 7.316 3.156 1.00 0.00 C ATOM 0 H VAL A 33 -9.119 9.593 4.083 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.145 9.491 1.340 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.676 8.917 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.085 7.575 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.016 9.279 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.066 8.051 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.154 6.543 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.062 6.986 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.689 7.498 3.873 1.00 0.00 H new ATOM 551 N THR A 34 -10.916 11.876 1.523 1.00 0.00 N ATOM 552 CA THR A 34 -11.603 13.153 1.504 1.00 0.00 C ATOM 553 C THR A 34 -12.626 13.169 0.379 1.00 0.00 C ATOM 554 O THR A 34 -12.777 12.179 -0.343 1.00 0.00 O ATOM 555 CB THR A 34 -10.620 14.321 1.310 1.00 0.00 C ATOM 556 OG1 THR A 34 -9.880 14.153 0.092 1.00 0.00 O ATOM 557 CG2 THR A 34 -9.654 14.419 2.481 1.00 0.00 C ATOM 0 H THR A 34 -10.335 11.696 0.704 1.00 0.00 H new ATOM 0 HA THR A 34 -12.099 13.278 2.466 1.00 0.00 H new ATOM 0 HB THR A 34 -11.201 15.242 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.522 15.019 -0.196 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.970 15.252 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.214 14.582 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.085 13.493 2.562 1.00 0.00 H new ATOM 565 N SER A 35 -13.313 14.291 0.209 1.00 0.00 N ATOM 566 CA SER A 35 -14.259 14.445 -0.886 1.00 0.00 C ATOM 567 C SER A 35 -13.516 14.520 -2.223 1.00 0.00 C ATOM 568 O SER A 35 -14.124 14.487 -3.295 1.00 0.00 O ATOM 569 CB SER A 35 -15.106 15.699 -0.662 1.00 0.00 C ATOM 570 OG SER A 35 -15.728 15.666 0.612 1.00 0.00 O ATOM 0 H SER A 35 -13.232 15.107 0.816 1.00 0.00 H new ATOM 0 HA SER A 35 -14.920 13.578 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.478 16.586 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.865 15.774 -1.440 1.00 0.00 H new ATOM 0 HG SER A 35 -16.263 16.478 0.736 1.00 0.00 H new ATOM 576 N GLU A 36 -12.195 14.613 -2.141 1.00 0.00 N ATOM 577 CA GLU A 36 -11.345 14.666 -3.319 1.00 0.00 C ATOM 578 C GLU A 36 -11.066 13.258 -3.831 1.00 0.00 C ATOM 579 O GLU A 36 -11.439 12.901 -4.951 1.00 0.00 O ATOM 580 CB GLU A 36 -10.019 15.342 -2.974 1.00 0.00 C ATOM 581 CG GLU A 36 -10.174 16.664 -2.251 1.00 0.00 C ATOM 582 CD GLU A 36 -8.896 17.085 -1.560 1.00 0.00 C ATOM 583 OE1 GLU A 36 -8.590 16.526 -0.485 1.00 0.00 O ATOM 584 OE2 GLU A 36 -8.189 17.968 -2.086 1.00 0.00 O ATOM 0 H GLU A 36 -11.686 14.654 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.859 15.237 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.429 14.667 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.456 15.505 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.472 17.434 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.974 16.583 -1.515 1.00 0.00 H new ATOM 591 N THR A 37 -10.429 12.458 -2.987 1.00 0.00 N ATOM 592 CA THR A 37 -9.979 11.130 -3.365 1.00 0.00 C ATOM 593 C THR A 37 -11.140 10.146 -3.483 1.00 0.00 C ATOM 594 O THR A 37 -11.028 9.123 -4.160 1.00 0.00 O ATOM 595 CB THR A 37 -8.948 10.601 -2.350 1.00 0.00 C ATOM 596 OG1 THR A 37 -9.421 10.823 -1.012 1.00 0.00 O ATOM 597 CG2 THR A 37 -7.600 11.281 -2.538 1.00 0.00 C ATOM 0 H THR A 37 -10.211 12.713 -2.024 1.00 0.00 H new ATOM 0 HA THR A 37 -9.512 11.216 -4.346 1.00 0.00 H new ATOM 0 HB THR A 37 -8.821 9.532 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.793 11.406 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.890 10.890 -1.809 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.231 11.085 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.712 12.356 -2.395 1.00 0.00 H new ATOM 605 N TYR A 38 -12.258 10.477 -2.841 1.00 0.00 N ATOM 606 CA TYR A 38 -13.439 9.616 -2.835 1.00 0.00 C ATOM 607 C TYR A 38 -13.871 9.230 -4.252 1.00 0.00 C ATOM 608 O TYR A 38 -14.372 8.132 -4.468 1.00 0.00 O ATOM 609 CB TYR A 38 -14.595 10.318 -2.111 1.00 0.00 C ATOM 610 CG TYR A 38 -15.830 9.459 -1.944 1.00 0.00 C ATOM 611 CD1 TYR A 38 -15.883 8.470 -0.971 1.00 0.00 C ATOM 612 CD2 TYR A 38 -16.939 9.635 -2.762 1.00 0.00 C ATOM 613 CE1 TYR A 38 -17.007 7.682 -0.815 1.00 0.00 C ATOM 614 CE2 TYR A 38 -18.067 8.853 -2.613 1.00 0.00 C ATOM 615 CZ TYR A 38 -18.096 7.877 -1.639 1.00 0.00 C ATOM 616 OH TYR A 38 -19.217 7.095 -1.485 1.00 0.00 O ATOM 0 H TYR A 38 -12.371 11.343 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 38 -13.176 8.699 -2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -14.252 10.639 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -14.863 11.218 -2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -15.031 8.314 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -16.918 10.397 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -17.033 6.918 -0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -18.922 9.005 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 38 -19.894 7.360 -2.142 1.00 0.00 H new ATOM 626 N HIS A 39 -13.654 10.126 -5.212 1.00 0.00 N ATOM 627 CA HIS A 39 -14.094 9.904 -6.593 1.00 0.00 C ATOM 628 C HIS A 39 -13.510 8.616 -7.171 1.00 0.00 C ATOM 629 O HIS A 39 -14.234 7.786 -7.718 1.00 0.00 O ATOM 630 CB HIS A 39 -13.696 11.084 -7.486 1.00 0.00 C ATOM 631 CG HIS A 39 -14.393 12.368 -7.156 1.00 0.00 C ATOM 632 ND1 HIS A 39 -13.728 13.559 -6.977 1.00 0.00 N ATOM 633 CD2 HIS A 39 -15.708 12.647 -6.989 1.00 0.00 C ATOM 634 CE1 HIS A 39 -14.601 14.513 -6.715 1.00 0.00 C ATOM 635 NE2 HIS A 39 -15.812 13.989 -6.717 1.00 0.00 N ATOM 0 H HIS A 39 -13.176 11.014 -5.062 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.180 9.814 -6.571 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.620 11.238 -7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.906 10.826 -8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -16.524 11.943 -7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.364 15.550 -6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -16.680 14.496 -6.545 1.00 0.00 H new ATOM 644 N ASP A 40 -12.203 8.448 -7.029 1.00 0.00 N ATOM 645 CA ASP A 40 -11.502 7.334 -7.645 1.00 0.00 C ATOM 646 C ASP A 40 -11.560 6.093 -6.769 1.00 0.00 C ATOM 647 O ASP A 40 -11.772 4.980 -7.254 1.00 0.00 O ATOM 648 CB ASP A 40 -10.039 7.708 -7.880 1.00 0.00 C ATOM 649 CG ASP A 40 -9.879 8.943 -8.738 1.00 0.00 C ATOM 650 OD1 ASP A 40 -10.060 10.064 -8.213 1.00 0.00 O ATOM 651 OD2 ASP A 40 -9.567 8.805 -9.938 1.00 0.00 O ATOM 0 H ASP A 40 -11.605 9.074 -6.489 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.992 7.115 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.552 7.874 -6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.527 6.872 -8.356 1.00 0.00 H new ATOM 656 N ILE A 41 -11.389 6.291 -5.472 1.00 0.00 N ATOM 657 CA ILE A 41 -11.229 5.176 -4.546 1.00 0.00 C ATOM 658 C ILE A 41 -12.577 4.551 -4.179 1.00 0.00 C ATOM 659 O ILE A 41 -12.631 3.503 -3.545 1.00 0.00 O ATOM 660 CB ILE A 41 -10.483 5.623 -3.271 1.00 0.00 C ATOM 661 CG1 ILE A 41 -9.345 6.568 -3.659 1.00 0.00 C ATOM 662 CG2 ILE A 41 -9.930 4.415 -2.522 1.00 0.00 C ATOM 663 CD1 ILE A 41 -8.582 7.125 -2.484 1.00 0.00 C ATOM 0 H ILE A 41 -11.357 7.212 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.633 4.417 -5.052 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.180 6.142 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.651 6.036 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.755 7.396 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.407 4.750 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.751 3.756 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.236 3.874 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.793 7.785 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.261 7.687 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.140 6.306 -1.916 1.00 0.00 H new ATOM 675 N ALA A 42 -13.669 5.188 -4.586 1.00 0.00 N ATOM 676 CA ALA A 42 -14.992 4.596 -4.416 1.00 0.00 C ATOM 677 C ALA A 42 -15.191 3.473 -5.424 1.00 0.00 C ATOM 678 O ALA A 42 -16.113 2.665 -5.312 1.00 0.00 O ATOM 679 CB ALA A 42 -16.082 5.642 -4.566 1.00 0.00 C ATOM 0 H ALA A 42 -13.666 6.105 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.058 4.186 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.057 5.173 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.948 6.418 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -16.025 6.087 -5.559 1.00 0.00 H new ATOM 685 N VAL A 43 -14.322 3.446 -6.426 1.00 0.00 N ATOM 686 CA VAL A 43 -14.300 2.368 -7.393 1.00 0.00 C ATOM 687 C VAL A 43 -13.274 1.326 -6.961 1.00 0.00 C ATOM 688 O VAL A 43 -13.548 0.125 -6.965 1.00 0.00 O ATOM 689 CB VAL A 43 -13.951 2.879 -8.805 1.00 0.00 C ATOM 690 CG1 VAL A 43 -14.068 1.761 -9.831 1.00 0.00 C ATOM 691 CG2 VAL A 43 -14.843 4.054 -9.185 1.00 0.00 C ATOM 0 H VAL A 43 -13.619 4.167 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.296 1.926 -7.432 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.916 3.222 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.817 2.146 -10.819 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.382 0.955 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.089 1.380 -9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.582 4.401 -10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.886 3.738 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.700 4.865 -8.471 1.00 0.00 H new ATOM 701 N LEU A 44 -12.096 1.802 -6.566 1.00 0.00 N ATOM 702 CA LEU A 44 -11.042 0.931 -6.068 1.00 0.00 C ATOM 703 C LEU A 44 -11.229 0.693 -4.571 1.00 0.00 C ATOM 704 O LEU A 44 -10.698 1.429 -3.743 1.00 0.00 O ATOM 705 CB LEU A 44 -9.666 1.550 -6.346 1.00 0.00 C ATOM 706 CG LEU A 44 -8.467 0.696 -5.938 1.00 0.00 C ATOM 707 CD1 LEU A 44 -8.466 -0.612 -6.707 1.00 0.00 C ATOM 708 CD2 LEU A 44 -7.170 1.457 -6.168 1.00 0.00 C ATOM 0 H LEU A 44 -11.849 2.792 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.099 -0.027 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.592 1.764 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.604 2.505 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.546 0.469 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.606 -1.210 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.383 -1.161 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.408 -0.406 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.326 0.834 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.080 1.712 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.174 2.370 -5.573 1.00 0.00 H new ATOM 720 N LEU A 45 -11.980 -0.341 -4.230 1.00 0.00 N ATOM 721 CA LEU A 45 -12.357 -0.583 -2.854 1.00 0.00 C ATOM 722 C LEU A 45 -11.705 -1.846 -2.330 1.00 0.00 C ATOM 723 O LEU A 45 -12.239 -2.939 -2.509 1.00 0.00 O ATOM 724 CB LEU A 45 -13.879 -0.704 -2.721 1.00 0.00 C ATOM 725 CG LEU A 45 -14.667 0.597 -2.891 1.00 0.00 C ATOM 726 CD1 LEU A 45 -16.163 0.314 -2.914 1.00 0.00 C ATOM 727 CD2 LEU A 45 -14.332 1.568 -1.768 1.00 0.00 C ATOM 0 H LEU A 45 -12.340 -1.027 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.013 0.266 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.234 -1.421 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -14.107 -1.120 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.385 1.050 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.709 1.250 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.395 -0.352 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.458 -0.159 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.900 2.489 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.590 1.119 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.266 1.793 -1.788 1.00 0.00 H new ATOM 739 N TYR A 46 -10.538 -1.664 -1.717 1.00 0.00 N ATOM 740 CA TYR A 46 -9.840 -2.710 -0.939 1.00 0.00 C ATOM 741 C TYR A 46 -9.980 -4.105 -1.566 1.00 0.00 C ATOM 742 O TYR A 46 -10.711 -4.959 -1.066 1.00 0.00 O ATOM 743 CB TYR A 46 -10.324 -2.717 0.526 1.00 0.00 C ATOM 744 CG TYR A 46 -11.826 -2.633 0.711 1.00 0.00 C ATOM 745 CD1 TYR A 46 -12.615 -3.774 0.726 1.00 0.00 C ATOM 746 CD2 TYR A 46 -12.452 -1.403 0.867 1.00 0.00 C ATOM 747 CE1 TYR A 46 -13.981 -3.697 0.886 1.00 0.00 C ATOM 748 CE2 TYR A 46 -13.819 -1.317 1.031 1.00 0.00 C ATOM 749 CZ TYR A 46 -14.581 -2.466 1.036 1.00 0.00 C ATOM 750 OH TYR A 46 -15.946 -2.383 1.202 1.00 0.00 O ATOM 0 H TYR A 46 -10.035 -0.777 -1.741 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.779 -2.461 -0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.966 -3.628 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.862 -1.879 1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.149 -4.741 0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.859 -0.500 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -14.578 -4.597 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.291 -0.353 1.155 1.00 0.00 H new ATOM 0 HH TYR A 46 -16.208 -1.443 1.295 1.00 0.00 H new ATOM 760 N GLU A 47 -9.288 -4.324 -2.672 1.00 0.00 N ATOM 761 CA GLU A 47 -9.394 -5.583 -3.398 1.00 0.00 C ATOM 762 C GLU A 47 -8.835 -6.763 -2.616 1.00 0.00 C ATOM 763 O GLU A 47 -8.182 -6.611 -1.583 1.00 0.00 O ATOM 764 CB GLU A 47 -8.687 -5.499 -4.744 1.00 0.00 C ATOM 765 CG GLU A 47 -9.480 -4.765 -5.809 1.00 0.00 C ATOM 766 CD GLU A 47 -10.692 -5.554 -6.257 1.00 0.00 C ATOM 767 OE1 GLU A 47 -10.548 -6.407 -7.156 1.00 0.00 O ATOM 768 OE2 GLU A 47 -11.794 -5.328 -5.718 1.00 0.00 O ATOM 0 H GLU A 47 -8.647 -3.648 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.460 -5.753 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.728 -4.999 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.473 -6.509 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.800 -3.798 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.838 -4.567 -6.668 1.00 0.00 H new ATOM 775 N LYS A 48 -9.115 -7.940 -3.147 1.00 0.00 N ATOM 776 CA LYS A 48 -8.645 -9.197 -2.593 1.00 0.00 C ATOM 777 C LYS A 48 -7.121 -9.246 -2.598 1.00 0.00 C ATOM 778 O LYS A 48 -6.484 -9.524 -1.579 1.00 0.00 O ATOM 779 CB LYS A 48 -9.199 -10.337 -3.446 1.00 0.00 C ATOM 780 CG LYS A 48 -10.675 -10.171 -3.770 1.00 0.00 C ATOM 781 CD LYS A 48 -11.063 -10.908 -5.042 1.00 0.00 C ATOM 782 CE LYS A 48 -10.398 -10.281 -6.256 1.00 0.00 C ATOM 783 NZ LYS A 48 -10.888 -10.860 -7.532 1.00 0.00 N ATOM 0 H LYS A 48 -9.683 -8.051 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.987 -9.293 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.633 -10.397 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.051 -11.281 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.273 -10.543 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.906 -9.111 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.772 -11.955 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.146 -10.886 -5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.582 -9.207 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.319 -10.420 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.405 -10.400 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.690 -11.881 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.913 -10.705 -7.612 1.00 0.00 H new ATOM 797 N THR A 49 -6.553 -8.965 -3.761 1.00 0.00 N ATOM 798 CA THR A 49 -5.118 -8.977 -3.948 1.00 0.00 C ATOM 799 C THR A 49 -4.643 -7.653 -4.534 1.00 0.00 C ATOM 800 O THR A 49 -5.397 -6.963 -5.222 1.00 0.00 O ATOM 801 CB THR A 49 -4.695 -10.134 -4.874 1.00 0.00 C ATOM 802 OG1 THR A 49 -5.667 -10.304 -5.917 1.00 0.00 O ATOM 803 CG2 THR A 49 -4.548 -11.431 -4.097 1.00 0.00 C ATOM 0 H THR A 49 -7.079 -8.722 -4.601 1.00 0.00 H new ATOM 0 HA THR A 49 -4.656 -9.121 -2.971 1.00 0.00 H new ATOM 0 HB THR A 49 -3.728 -9.883 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.392 -11.039 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.249 -12.230 -4.776 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.789 -11.308 -3.324 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.500 -11.687 -3.633 1.00 0.00 H new ATOM 811 N PHE A 50 -3.401 -7.300 -4.250 1.00 0.00 N ATOM 812 CA PHE A 50 -2.819 -6.062 -4.746 1.00 0.00 C ATOM 813 C PHE A 50 -1.441 -6.327 -5.335 1.00 0.00 C ATOM 814 O PHE A 50 -0.592 -6.929 -4.680 1.00 0.00 O ATOM 815 CB PHE A 50 -2.677 -5.035 -3.620 1.00 0.00 C ATOM 816 CG PHE A 50 -3.966 -4.635 -2.961 1.00 0.00 C ATOM 817 CD1 PHE A 50 -4.450 -5.341 -1.870 1.00 0.00 C ATOM 818 CD2 PHE A 50 -4.681 -3.542 -3.418 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.624 -4.964 -1.251 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.854 -3.158 -2.801 1.00 0.00 C ATOM 821 CZ PHE A 50 -6.326 -3.870 -1.717 1.00 0.00 C ATOM 0 H PHE A 50 -2.771 -7.858 -3.674 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.485 -5.668 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.008 -5.441 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.199 -4.142 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.902 -6.195 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.317 -2.983 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.993 -5.523 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.402 -2.302 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.244 -3.572 -1.233 1.00 0.00 H new ATOM 831 N ASN A 51 -1.221 -5.900 -6.568 1.00 0.00 N ATOM 832 CA ASN A 51 0.115 -5.941 -7.144 1.00 0.00 C ATOM 833 C ASN A 51 0.923 -4.771 -6.602 1.00 0.00 C ATOM 834 O ASN A 51 0.875 -3.665 -7.144 1.00 0.00 O ATOM 835 CB ASN A 51 0.057 -5.882 -8.674 1.00 0.00 C ATOM 836 CG ASN A 51 1.395 -6.195 -9.323 1.00 0.00 C ATOM 837 OD1 ASN A 51 1.684 -7.347 -9.646 1.00 0.00 O ATOM 838 ND2 ASN A 51 2.218 -5.177 -9.521 1.00 0.00 N ATOM 0 H ASN A 51 -1.942 -5.525 -7.185 1.00 0.00 H new ATOM 0 HA ASN A 51 0.593 -6.881 -6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.691 -6.589 -9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.269 -4.889 -8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.128 -5.334 -9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.942 -4.236 -9.239 1.00 0.00 H new ATOM 845 N VAL A 52 1.638 -5.019 -5.518 1.00 0.00 N ATOM 846 CA VAL A 52 2.366 -3.976 -4.813 1.00 0.00 C ATOM 847 C VAL A 52 3.727 -3.730 -5.452 1.00 0.00 C ATOM 848 O VAL A 52 4.662 -4.512 -5.274 1.00 0.00 O ATOM 849 CB VAL A 52 2.563 -4.342 -3.324 1.00 0.00 C ATOM 850 CG1 VAL A 52 3.250 -3.214 -2.569 1.00 0.00 C ATOM 851 CG2 VAL A 52 1.231 -4.689 -2.675 1.00 0.00 C ATOM 0 H VAL A 52 1.731 -5.946 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 52 1.769 -3.067 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 52 3.208 -5.220 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.376 -3.499 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.227 -3.021 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.640 -2.312 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.392 -4.944 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.560 -3.833 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.786 -5.540 -3.191 1.00 0.00 H new ATOM 861 N GLU A 53 3.825 -2.653 -6.212 1.00 0.00 N ATOM 862 CA GLU A 53 5.082 -2.269 -6.821 1.00 0.00 C ATOM 863 C GLU A 53 5.615 -1.031 -6.153 1.00 0.00 C ATOM 864 O GLU A 53 5.019 0.046 -6.223 1.00 0.00 O ATOM 865 CB GLU A 53 4.916 -2.025 -8.322 1.00 0.00 C ATOM 866 CG GLU A 53 6.230 -1.759 -9.041 1.00 0.00 C ATOM 867 CD GLU A 53 6.149 -0.595 -10.006 1.00 0.00 C ATOM 868 OE1 GLU A 53 5.336 -0.648 -10.952 1.00 0.00 O ATOM 869 OE2 GLU A 53 6.919 0.373 -9.840 1.00 0.00 O ATOM 0 H GLU A 53 3.046 -2.029 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 53 5.791 -3.086 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.433 -2.893 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.250 -1.176 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.008 -1.560 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.529 -2.655 -9.585 1.00 0.00 H new ATOM 876 N VAL A 54 6.731 -1.196 -5.487 1.00 0.00 N ATOM 877 CA VAL A 54 7.381 -0.092 -4.842 1.00 0.00 C ATOM 878 C VAL A 54 8.778 0.115 -5.426 1.00 0.00 C ATOM 879 O VAL A 54 9.754 -0.510 -5.005 1.00 0.00 O ATOM 880 CB VAL A 54 7.422 -0.275 -3.307 1.00 0.00 C ATOM 881 CG1 VAL A 54 8.065 -1.589 -2.898 1.00 0.00 C ATOM 882 CG2 VAL A 54 8.135 0.890 -2.668 1.00 0.00 C ATOM 0 H VAL A 54 7.207 -2.092 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 54 6.798 0.808 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 54 6.392 -0.306 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.069 -1.669 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.498 -2.419 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.090 -1.624 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.159 0.753 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.154 0.946 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.607 1.814 -2.905 1.00 0.00 H new ATOM 892 N PRO A 55 8.879 0.982 -6.442 1.00 0.00 N ATOM 893 CA PRO A 55 10.146 1.272 -7.115 1.00 0.00 C ATOM 894 C PRO A 55 11.132 1.966 -6.185 1.00 0.00 C ATOM 895 O PRO A 55 12.343 1.922 -6.398 1.00 0.00 O ATOM 896 CB PRO A 55 9.745 2.200 -8.264 1.00 0.00 C ATOM 897 CG PRO A 55 8.442 2.790 -7.849 1.00 0.00 C ATOM 898 CD PRO A 55 7.757 1.740 -7.025 1.00 0.00 C ATOM 0 HA PRO A 55 10.650 0.365 -7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.495 2.974 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.648 1.650 -9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.593 3.702 -7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.841 3.058 -8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.126 2.182 -6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.116 1.104 -7.636 1.00 0.00 H new ATOM 906 N GLU A 56 10.596 2.586 -5.139 1.00 0.00 N ATOM 907 CA GLU A 56 11.407 3.289 -4.152 1.00 0.00 C ATOM 908 C GLU A 56 12.225 2.293 -3.325 1.00 0.00 C ATOM 909 O GLU A 56 13.223 2.654 -2.702 1.00 0.00 O ATOM 910 CB GLU A 56 10.504 4.128 -3.244 1.00 0.00 C ATOM 911 CG GLU A 56 11.237 5.219 -2.481 1.00 0.00 C ATOM 912 CD GLU A 56 10.308 6.042 -1.614 1.00 0.00 C ATOM 913 OE1 GLU A 56 9.374 6.665 -2.161 1.00 0.00 O ATOM 914 OE2 GLU A 56 10.514 6.078 -0.384 1.00 0.00 O ATOM 0 H GLU A 56 9.594 2.615 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 56 12.101 3.952 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.721 4.585 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.010 3.469 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.007 4.767 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.745 5.875 -3.188 1.00 0.00 H new ATOM 921 N ARG A 57 11.790 1.034 -3.327 1.00 0.00 N ATOM 922 CA ARG A 57 12.513 -0.033 -2.638 1.00 0.00 C ATOM 923 C ARG A 57 12.796 -1.189 -3.595 1.00 0.00 C ATOM 924 O ARG A 57 13.183 -2.280 -3.169 1.00 0.00 O ATOM 925 CB ARG A 57 11.723 -0.534 -1.420 1.00 0.00 C ATOM 926 CG ARG A 57 11.673 0.465 -0.274 1.00 0.00 C ATOM 927 CD ARG A 57 11.078 -0.144 0.988 1.00 0.00 C ATOM 928 NE ARG A 57 9.647 -0.430 0.859 1.00 0.00 N ATOM 929 CZ ARG A 57 8.912 -0.992 1.823 1.00 0.00 C ATOM 930 NH1 ARG A 57 9.486 -1.410 2.947 1.00 0.00 N ATOM 931 NH2 ARG A 57 7.609 -1.155 1.659 1.00 0.00 N ATOM 0 H ARG A 57 10.939 0.728 -3.799 1.00 0.00 H new ATOM 0 HA ARG A 57 13.461 0.374 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.705 -0.770 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.171 -1.461 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.680 0.825 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.081 1.330 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.608 -1.066 1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.234 0.538 1.824 1.00 0.00 H new ATOM 0 HE ARG A 57 9.185 -0.186 -0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.492 -1.302 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.920 -1.838 3.680 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.162 -0.851 0.794 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.052 -1.585 2.398 1.00 0.00 H new ATOM 945 N ASP A 58 12.609 -0.921 -4.893 1.00 0.00 N ATOM 946 CA ASP A 58 12.821 -1.910 -5.956 1.00 0.00 C ATOM 947 C ASP A 58 12.140 -3.234 -5.639 1.00 0.00 C ATOM 948 O ASP A 58 12.741 -4.301 -5.775 1.00 0.00 O ATOM 949 CB ASP A 58 14.317 -2.138 -6.203 1.00 0.00 C ATOM 950 CG ASP A 58 14.939 -1.043 -7.043 1.00 0.00 C ATOM 951 OD1 ASP A 58 14.746 -1.056 -8.278 1.00 0.00 O ATOM 952 OD2 ASP A 58 15.630 -0.170 -6.478 1.00 0.00 O ATOM 0 H ASP A 58 12.306 -0.010 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 58 12.370 -1.505 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.835 -2.196 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.458 -3.098 -6.701 1.00 0.00 H new ATOM 957 N LEU A 59 10.882 -3.172 -5.233 1.00 0.00 N ATOM 958 CA LEU A 59 10.160 -4.372 -4.857 1.00 0.00 C ATOM 959 C LEU A 59 8.918 -4.550 -5.721 1.00 0.00 C ATOM 960 O LEU A 59 7.949 -3.806 -5.583 1.00 0.00 O ATOM 961 CB LEU A 59 9.760 -4.307 -3.381 1.00 0.00 C ATOM 962 CG LEU A 59 10.015 -5.573 -2.559 1.00 0.00 C ATOM 963 CD1 LEU A 59 9.539 -5.370 -1.131 1.00 0.00 C ATOM 964 CD2 LEU A 59 9.320 -6.777 -3.177 1.00 0.00 C ATOM 0 H LEU A 59 10.344 -2.309 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 59 10.817 -5.227 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.298 -3.481 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.698 -4.068 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 59 11.088 -5.767 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.724 -6.276 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.079 -4.537 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.471 -5.152 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.519 -7.662 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.246 -6.597 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.697 -6.936 -4.187 1.00 0.00 H new ATOM 976 N ALA A 60 8.971 -5.513 -6.627 1.00 0.00 N ATOM 977 CA ALA A 60 7.802 -5.907 -7.396 1.00 0.00 C ATOM 978 C ALA A 60 7.158 -7.116 -6.735 1.00 0.00 C ATOM 979 O ALA A 60 7.643 -8.245 -6.866 1.00 0.00 O ATOM 980 CB ALA A 60 8.181 -6.214 -8.836 1.00 0.00 C ATOM 0 H ALA A 60 9.816 -6.039 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 60 7.088 -5.084 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.290 -6.507 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.620 -5.327 -9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.905 -7.029 -8.856 1.00 0.00 H new ATOM 986 N PHE A 61 6.085 -6.882 -6.004 1.00 0.00 N ATOM 987 CA PHE A 61 5.496 -7.913 -5.174 1.00 0.00 C ATOM 988 C PHE A 61 3.983 -7.955 -5.370 1.00 0.00 C ATOM 989 O PHE A 61 3.402 -7.057 -5.969 1.00 0.00 O ATOM 990 CB PHE A 61 5.848 -7.615 -3.711 1.00 0.00 C ATOM 991 CG PHE A 61 5.629 -8.755 -2.759 1.00 0.00 C ATOM 992 CD1 PHE A 61 6.369 -9.922 -2.874 1.00 0.00 C ATOM 993 CD2 PHE A 61 4.698 -8.654 -1.740 1.00 0.00 C ATOM 994 CE1 PHE A 61 6.184 -10.966 -1.988 1.00 0.00 C ATOM 995 CE2 PHE A 61 4.507 -9.694 -0.852 1.00 0.00 C ATOM 996 CZ PHE A 61 5.249 -10.853 -0.976 1.00 0.00 C ATOM 0 H PHE A 61 5.603 -5.984 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 61 5.891 -8.889 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.894 -7.314 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.255 -6.764 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.098 -10.016 -3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.114 -7.751 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.769 -11.869 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.778 -9.602 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.099 -11.669 -0.284 1.00 0.00 H new ATOM 1006 N ARG A 62 3.354 -9.011 -4.887 1.00 0.00 N ATOM 1007 CA ARG A 62 1.905 -9.096 -4.883 1.00 0.00 C ATOM 1008 C ARG A 62 1.441 -9.468 -3.486 1.00 0.00 C ATOM 1009 O ARG A 62 1.991 -10.377 -2.877 1.00 0.00 O ATOM 1010 CB ARG A 62 1.403 -10.122 -5.909 1.00 0.00 C ATOM 1011 CG ARG A 62 -0.116 -10.232 -5.960 1.00 0.00 C ATOM 1012 CD ARG A 62 -0.583 -11.235 -7.004 1.00 0.00 C ATOM 1013 NE ARG A 62 -0.079 -12.583 -6.742 1.00 0.00 N ATOM 1014 CZ ARG A 62 -0.853 -13.631 -6.451 1.00 0.00 C ATOM 1015 NH1 ARG A 62 -2.169 -13.489 -6.349 1.00 0.00 N ATOM 1016 NH2 ARG A 62 -0.310 -14.827 -6.272 1.00 0.00 N ATOM 0 H ARG A 62 3.826 -9.824 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 62 1.491 -8.128 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.774 -9.848 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.823 -11.099 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.491 -10.528 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.543 -9.254 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.673 -11.254 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.251 -10.911 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 62 0.929 -12.732 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.596 -12.574 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.753 -14.295 -6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.699 -14.947 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.902 -15.628 -6.050 1.00 0.00 H new ATOM 1030 N GLY A 63 0.459 -8.749 -2.972 1.00 0.00 N ATOM 1031 CA GLY A 63 -0.033 -9.022 -1.639 1.00 0.00 C ATOM 1032 C GLY A 63 -1.512 -9.325 -1.631 1.00 0.00 C ATOM 1033 O GLY A 63 -2.189 -9.144 -2.642 1.00 0.00 O ATOM 0 H GLY A 63 -0.008 -7.980 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.512 -9.867 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.164 -8.163 -0.997 1.00 0.00 H new ATOM 1037 N GLU A 64 -2.013 -9.788 -0.497 1.00 0.00 N ATOM 1038 CA GLU A 64 -3.428 -10.081 -0.344 1.00 0.00 C ATOM 1039 C GLU A 64 -3.883 -9.697 1.056 1.00 0.00 C ATOM 1040 O GLU A 64 -3.086 -9.724 1.996 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.704 -11.572 -0.592 1.00 0.00 C ATOM 1042 CG GLU A 64 -2.971 -12.506 0.363 1.00 0.00 C ATOM 1043 CD GLU A 64 -3.341 -13.966 0.170 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -4.340 -14.418 0.771 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -2.636 -14.670 -0.582 1.00 0.00 O ATOM 0 H GLU A 64 -1.455 -9.970 0.337 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.985 -9.500 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.776 -11.751 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.419 -11.818 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.896 -12.388 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.193 -12.214 1.389 1.00 0.00 H new ATOM 1052 N MET A 65 -5.145 -9.318 1.199 1.00 0.00 N ATOM 1053 CA MET A 65 -5.691 -9.071 2.524 1.00 0.00 C ATOM 1054 C MET A 65 -5.859 -10.397 3.251 1.00 0.00 C ATOM 1055 O MET A 65 -6.807 -11.138 2.998 1.00 0.00 O ATOM 1056 CB MET A 65 -7.029 -8.343 2.463 1.00 0.00 C ATOM 1057 CG MET A 65 -6.908 -6.853 2.212 1.00 0.00 C ATOM 1058 SD MET A 65 -8.512 -6.031 2.248 1.00 0.00 S ATOM 1059 CE MET A 65 -8.002 -4.320 2.366 1.00 0.00 C ATOM 0 H MET A 65 -5.799 -9.177 0.429 1.00 0.00 H new ATOM 0 HA MET A 65 -4.994 -8.429 3.063 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.637 -8.786 1.674 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.560 -8.501 3.401 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.256 -6.410 2.965 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.436 -6.685 1.244 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.788 -3.738 2.847 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.088 -4.253 2.956 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.818 -3.925 1.367 1.00 0.00 H new ATOM 1069 N THR A 66 -4.924 -10.699 4.128 1.00 0.00 N ATOM 1070 CA THR A 66 -4.885 -11.989 4.791 1.00 0.00 C ATOM 1071 C THR A 66 -5.706 -11.997 6.077 1.00 0.00 C ATOM 1072 O THR A 66 -5.959 -13.053 6.657 1.00 0.00 O ATOM 1073 CB THR A 66 -3.428 -12.375 5.103 1.00 0.00 C ATOM 1074 OG1 THR A 66 -2.677 -11.192 5.411 1.00 0.00 O ATOM 1075 CG2 THR A 66 -2.786 -13.086 3.924 1.00 0.00 C ATOM 0 H THR A 66 -4.174 -10.064 4.401 1.00 0.00 H new ATOM 0 HA THR A 66 -5.325 -12.719 4.112 1.00 0.00 H new ATOM 0 HB THR A 66 -3.427 -13.053 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.969 -10.835 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.757 -13.347 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.346 -13.993 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.794 -12.429 3.055 1.00 0.00 H new ATOM 1083 N ASN A 67 -6.142 -10.821 6.510 1.00 0.00 N ATOM 1084 CA ASN A 67 -6.841 -10.695 7.781 1.00 0.00 C ATOM 1085 C ASN A 67 -8.085 -9.840 7.619 1.00 0.00 C ATOM 1086 O ASN A 67 -8.222 -9.107 6.638 1.00 0.00 O ATOM 1087 CB ASN A 67 -5.934 -10.048 8.835 1.00 0.00 C ATOM 1088 CG ASN A 67 -4.537 -10.627 8.847 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -3.657 -10.028 8.064 1.00 0.00 O flip ATOM 1090 ND2 ASN A 67 -4.248 -11.592 9.555 1.00 0.00 N flip ATOM 0 H ASN A 67 -6.024 -9.944 6.002 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.122 -11.696 8.107 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.876 -8.976 8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.383 -10.175 9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.960 -12.024 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.297 -11.960 9.552 1.00 0.00 H new ATOM 1097 N TYR A 68 -8.989 -9.941 8.581 1.00 0.00 N ATOM 1098 CA TYR A 68 -10.152 -9.069 8.628 1.00 0.00 C ATOM 1099 C TYR A 68 -9.782 -7.800 9.383 1.00 0.00 C ATOM 1100 O TYR A 68 -10.080 -7.656 10.568 1.00 0.00 O ATOM 1101 CB TYR A 68 -11.336 -9.763 9.314 1.00 0.00 C ATOM 1102 CG TYR A 68 -11.692 -11.108 8.721 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -12.546 -11.205 7.629 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -11.180 -12.280 9.260 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -12.879 -12.437 7.093 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -11.504 -13.513 8.729 1.00 0.00 C ATOM 1107 CZ TYR A 68 -12.354 -13.587 7.647 1.00 0.00 C ATOM 1108 OH TYR A 68 -12.684 -14.816 7.124 1.00 0.00 O ATOM 0 H TYR A 68 -8.939 -10.619 9.341 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.455 -8.825 7.610 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.104 -9.894 10.371 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.208 -9.111 9.258 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.956 -10.306 7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.516 -12.227 10.110 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.546 -12.498 6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.093 -14.414 9.159 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.228 -15.520 7.630 1.00 0.00 H new ATOM 1118 N SER A 69 -9.089 -6.902 8.705 1.00 0.00 N ATOM 1119 CA SER A 69 -8.590 -5.701 9.345 1.00 0.00 C ATOM 1120 C SER A 69 -9.286 -4.470 8.780 1.00 0.00 C ATOM 1121 O SER A 69 -9.338 -4.274 7.566 1.00 0.00 O ATOM 1122 CB SER A 69 -7.077 -5.597 9.152 1.00 0.00 C ATOM 1123 OG SER A 69 -6.513 -4.615 10.002 1.00 0.00 O ATOM 0 H SER A 69 -8.860 -6.983 7.714 1.00 0.00 H new ATOM 0 HA SER A 69 -8.804 -5.755 10.412 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.616 -6.564 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.857 -5.350 8.113 1.00 0.00 H new ATOM 0 HG SER A 69 -6.503 -3.750 9.541 1.00 0.00 H new ATOM 1129 N THR A 70 -9.842 -3.662 9.669 1.00 0.00 N ATOM 1130 CA THR A 70 -10.534 -2.447 9.279 1.00 0.00 C ATOM 1131 C THR A 70 -10.506 -1.436 10.421 1.00 0.00 C ATOM 1132 O THR A 70 -10.993 -1.712 11.517 1.00 0.00 O ATOM 1133 CB THR A 70 -11.998 -2.742 8.888 1.00 0.00 C ATOM 1134 OG1 THR A 70 -12.039 -3.698 7.821 1.00 0.00 O ATOM 1135 CG2 THR A 70 -12.719 -1.468 8.461 1.00 0.00 C ATOM 0 H THR A 70 -9.826 -3.830 10.675 1.00 0.00 H new ATOM 0 HA THR A 70 -10.020 -2.032 8.412 1.00 0.00 H new ATOM 0 HB THR A 70 -12.505 -3.150 9.763 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.971 -3.880 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.748 -1.705 8.191 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.715 -0.754 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.210 -1.032 7.601 1.00 0.00 H new ATOM 1143 N SER A 71 -9.906 -0.283 10.172 1.00 0.00 N ATOM 1144 CA SER A 71 -9.912 0.792 11.143 1.00 0.00 C ATOM 1145 C SER A 71 -10.560 2.032 10.538 1.00 0.00 C ATOM 1146 O SER A 71 -10.043 2.604 9.578 1.00 0.00 O ATOM 1147 CB SER A 71 -8.497 1.099 11.631 1.00 0.00 C ATOM 1148 OG SER A 71 -7.954 -0.018 12.317 1.00 0.00 O ATOM 0 H SER A 71 -9.410 -0.071 9.306 1.00 0.00 H new ATOM 0 HA SER A 71 -10.496 0.477 12.008 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.862 1.357 10.784 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.514 1.966 12.292 1.00 0.00 H new ATOM 0 HG SER A 71 -7.395 -0.539 11.703 1.00 0.00 H new ATOM 1303 N SER A 82 -11.724 10.830 6.275 1.00 0.00 N ATOM 1304 CA SER A 82 -11.568 9.554 6.946 1.00 0.00 C ATOM 1305 C SER A 82 -10.279 8.862 6.532 1.00 0.00 C ATOM 1306 O SER A 82 -9.551 9.350 5.668 1.00 0.00 O ATOM 1307 CB SER A 82 -12.774 8.671 6.636 1.00 0.00 C ATOM 1308 OG SER A 82 -13.963 9.227 7.172 1.00 0.00 O ATOM 0 HA SER A 82 -11.511 9.730 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.877 8.556 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.616 7.675 7.049 1.00 0.00 H new ATOM 0 HG SER A 82 -13.938 10.202 7.082 1.00 0.00 H new ATOM 1314 N GLU A 83 -10.000 7.728 7.156 1.00 0.00 N ATOM 1315 CA GLU A 83 -8.785 6.984 6.884 1.00 0.00 C ATOM 1316 C GLU A 83 -9.106 5.589 6.354 1.00 0.00 C ATOM 1317 O GLU A 83 -9.728 4.785 7.050 1.00 0.00 O ATOM 1318 CB GLU A 83 -7.931 6.863 8.153 1.00 0.00 C ATOM 1319 CG GLU A 83 -7.375 8.183 8.678 1.00 0.00 C ATOM 1320 CD GLU A 83 -8.378 8.990 9.481 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -8.606 8.659 10.661 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -8.925 9.975 8.949 1.00 0.00 O ATOM 0 H GLU A 83 -10.605 7.302 7.859 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.226 7.530 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.532 6.401 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.099 6.189 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.504 7.978 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.030 8.783 7.836 1.00 0.00 H new ATOM 1329 N PHE A 84 -8.701 5.311 5.121 1.00 0.00 N ATOM 1330 CA PHE A 84 -8.825 3.967 4.571 1.00 0.00 C ATOM 1331 C PHE A 84 -7.682 3.107 5.071 1.00 0.00 C ATOM 1332 O PHE A 84 -6.525 3.292 4.686 1.00 0.00 O ATOM 1333 CB PHE A 84 -8.848 3.966 3.037 1.00 0.00 C ATOM 1334 CG PHE A 84 -10.222 4.081 2.426 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -11.358 4.140 3.220 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.372 4.136 1.051 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -12.614 4.254 2.654 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -11.626 4.248 0.479 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.748 4.309 1.279 1.00 0.00 C ATOM 0 H PHE A 84 -8.286 5.993 4.486 1.00 0.00 H new ATOM 0 HA PHE A 84 -9.777 3.558 4.909 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.235 4.793 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.383 3.047 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.260 4.096 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.499 4.091 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.489 4.300 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.727 4.288 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.727 4.399 0.833 1.00 0.00 H new ATOM 1349 N TYR A 85 -8.016 2.187 5.948 1.00 0.00 N ATOM 1350 CA TYR A 85 -7.038 1.313 6.554 1.00 0.00 C ATOM 1351 C TYR A 85 -6.879 0.046 5.722 1.00 0.00 C ATOM 1352 O TYR A 85 -7.562 -0.954 5.950 1.00 0.00 O ATOM 1353 CB TYR A 85 -7.483 0.990 7.980 1.00 0.00 C ATOM 1354 CG TYR A 85 -6.462 0.271 8.827 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -5.170 0.758 8.978 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -6.810 -0.884 9.507 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -4.256 0.108 9.783 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -5.907 -1.539 10.311 1.00 0.00 C ATOM 1359 CZ TYR A 85 -4.629 -1.039 10.448 1.00 0.00 C ATOM 1360 OH TYR A 85 -3.718 -1.689 11.252 1.00 0.00 O ATOM 0 H TYR A 85 -8.973 2.024 6.261 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.066 1.805 6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.753 1.921 8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.385 0.380 7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.876 1.658 8.458 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.810 -1.278 9.404 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.254 0.497 9.891 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.197 -2.440 10.832 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.138 -2.480 11.650 1.00 0.00 H new ATOM 1370 N ILE A 86 -5.998 0.109 4.735 1.00 0.00 N ATOM 1371 CA ILE A 86 -5.764 -1.016 3.841 1.00 0.00 C ATOM 1372 C ILE A 86 -4.635 -1.878 4.396 1.00 0.00 C ATOM 1373 O ILE A 86 -3.459 -1.530 4.260 1.00 0.00 O ATOM 1374 CB ILE A 86 -5.383 -0.544 2.423 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -6.325 0.571 1.948 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -5.416 -1.718 1.451 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -7.778 0.159 1.867 1.00 0.00 C ATOM 0 H ILE A 86 -5.430 0.932 4.532 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.688 -1.590 3.776 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.370 -0.143 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.236 1.420 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.000 0.912 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.145 -1.372 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.707 -2.479 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.419 -2.143 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.377 1.003 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.883 -0.669 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.123 -0.154 2.853 1.00 0.00 H new ATOM 1389 N GLU A 87 -4.988 -2.969 5.061 1.00 0.00 N ATOM 1390 CA GLU A 87 -3.989 -3.842 5.660 1.00 0.00 C ATOM 1391 C GLU A 87 -3.694 -5.025 4.754 1.00 0.00 C ATOM 1392 O GLU A 87 -4.591 -5.778 4.371 1.00 0.00 O ATOM 1393 CB GLU A 87 -4.442 -4.327 7.041 1.00 0.00 C ATOM 1394 CG GLU A 87 -3.387 -5.142 7.782 1.00 0.00 C ATOM 1395 CD GLU A 87 -3.612 -6.643 7.705 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -4.312 -7.181 8.586 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -3.048 -7.299 6.804 1.00 0.00 O ATOM 0 H GLU A 87 -5.953 -3.269 5.199 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.072 -3.265 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.714 -3.464 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.341 -4.932 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.405 -4.909 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.374 -4.838 8.829 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.427 -5.164 4.402 1.00 0.00 N ATOM 1405 CA ILE A 88 -1.967 -6.243 3.554 1.00 0.00 C ATOM 1406 C ILE A 88 -0.752 -6.912 4.178 1.00 0.00 C ATOM 1407 O ILE A 88 0.380 -6.459 3.997 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.575 -5.728 2.154 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.668 -4.824 1.591 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.312 -6.893 1.213 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -2.263 -4.119 0.319 1.00 0.00 C ATOM 0 H ILE A 88 -1.688 -4.527 4.699 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.786 -6.955 3.455 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.659 -5.145 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.560 -5.420 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.937 -4.080 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.037 -6.512 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.498 -7.502 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.212 -7.502 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.085 -3.493 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.389 -3.497 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.022 -4.858 -0.446 1.00 0.00 H new ATOM 1423 N THR A 89 -0.986 -7.950 4.957 1.00 0.00 N ATOM 1424 CA THR A 89 0.102 -8.758 5.468 1.00 0.00 C ATOM 1425 C THR A 89 0.697 -9.575 4.320 1.00 0.00 C ATOM 1426 O THR A 89 -0.031 -9.951 3.397 1.00 0.00 O ATOM 1427 CB THR A 89 -0.382 -9.678 6.608 1.00 0.00 C ATOM 1428 OG1 THR A 89 -1.126 -8.910 7.567 1.00 0.00 O ATOM 1429 CG2 THR A 89 0.787 -10.342 7.312 1.00 0.00 C ATOM 0 H THR A 89 -1.916 -8.252 5.248 1.00 0.00 H new ATOM 0 HA THR A 89 0.871 -8.106 5.883 1.00 0.00 H new ATOM 0 HB THR A 89 -1.013 -10.451 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.000 -9.328 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.414 -10.984 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.349 -10.942 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.438 -9.578 7.736 1.00 0.00 H new ATOM 1437 N GLU A 90 2.012 -9.808 4.374 1.00 0.00 N ATOM 1438 CA GLU A 90 2.755 -10.453 3.289 1.00 0.00 C ATOM 1439 C GLU A 90 1.997 -11.661 2.728 1.00 0.00 C ATOM 1440 O GLU A 90 1.433 -12.462 3.478 1.00 0.00 O ATOM 1441 CB GLU A 90 4.154 -10.842 3.781 1.00 0.00 C ATOM 1442 CG GLU A 90 5.177 -10.971 2.665 1.00 0.00 C ATOM 1443 CD GLU A 90 6.603 -10.796 3.157 1.00 0.00 C ATOM 1444 OE1 GLU A 90 7.081 -9.638 3.203 1.00 0.00 O ATOM 1445 OE2 GLU A 90 7.249 -11.810 3.494 1.00 0.00 O ATOM 0 H GLU A 90 2.592 -9.554 5.174 1.00 0.00 H new ATOM 0 HA GLU A 90 2.860 -9.743 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.500 -10.095 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.091 -11.789 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.076 -11.950 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.967 -10.226 1.897 1.00 0.00 H new ATOM 1452 N ILE A 91 2.000 -11.765 1.402 1.00 0.00 N ATOM 1453 CA ILE A 91 1.082 -12.635 0.668 1.00 0.00 C ATOM 1454 C ILE A 91 1.194 -14.112 1.047 1.00 0.00 C ATOM 1455 O ILE A 91 2.264 -14.609 1.417 1.00 0.00 O ATOM 1456 CB ILE A 91 1.290 -12.499 -0.861 1.00 0.00 C ATOM 1457 CG1 ILE A 91 0.145 -13.175 -1.623 1.00 0.00 C ATOM 1458 CG2 ILE A 91 2.632 -13.090 -1.278 1.00 0.00 C ATOM 1459 CD1 ILE A 91 0.265 -13.082 -3.128 1.00 0.00 C ATOM 0 H ILE A 91 2.642 -11.246 0.802 1.00 0.00 H new ATOM 0 HA ILE A 91 0.085 -12.297 0.951 1.00 0.00 H new ATOM 0 HB ILE A 91 1.291 -11.438 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.103 -14.226 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.798 -12.723 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.757 -12.984 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.437 -12.563 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.663 -14.146 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.584 -13.584 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.275 -12.034 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.190 -13.560 -3.449 1.00 0.00 H new ATOM 1471 N ASP A 92 0.052 -14.792 0.944 1.00 0.00 N ATOM 1472 CA ASP A 92 -0.032 -16.242 1.055 1.00 0.00 C ATOM 1473 C ASP A 92 0.423 -16.722 2.405 1.00 0.00 C ATOM 1474 O ASP A 92 0.255 -16.044 3.416 1.00 0.00 O ATOM 1475 CB ASP A 92 0.827 -16.909 -0.005 1.00 0.00 C ATOM 1476 CG ASP A 92 0.232 -18.213 -0.484 1.00 0.00 C ATOM 1477 OD1 ASP A 92 -0.703 -18.175 -1.311 1.00 0.00 O ATOM 1478 OD2 ASP A 92 0.685 -19.275 -0.016 1.00 0.00 O ATOM 0 H ASP A 92 -0.849 -14.343 0.779 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.079 -16.510 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.946 -16.233 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.823 -17.092 0.399 1.00 0.00 H new