USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 894 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 69 THR OG1 : rot 104:sc= 0.938 USER MOD Set 1.2: A 70 GLN : amide:sc= -2.43 K(o=-1.5,f=-7.7!) USER MOD Set 2.1: A 57 GLN : amide:sc= -0.196 X(o=0.71,f=0.91) USER MOD Set 2.2: A 61 SER OG : rot 75:sc= 0.908 USER MOD Set 3.1: A 24 THR OG1 : rot 152:sc= 1.22 USER MOD Set 3.2: A 34 ASN :FLIP amide:sc= -2.36! C(o=-5.7!,f=-0.14!) USER MOD Set 3.3: A 37 THR OG1 : rot 109:sc= 1 USER MOD Single : A 2 ASN : amide:sc= -3.59! C(o=-3.6!,f=-4.8!) USER MOD Single : A 4 SER OG : rot 41:sc= 0.519 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -3.74! C(o=-3.7!,f=-6.4!) USER MOD Single : A 11 GLN : amide:sc= -4.98 K(o=-5,f=-6.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.591 F(o=-1.9!,f=-0.59) USER MOD Single : A 20 SER OG : rot -8:sc= -4.45 USER MOD Single : A 23 CYS SG : rot 140:sc= -1.36 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.264 (180deg=-0.609) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.614 F(o=-1.5!,f=-0.61) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0936) USER MOD Single : A 38 THR OG1 : rot 28:sc= 1 USER MOD Single : A 40 GLN :FLIP amide:sc= -1.11 F(o=-2.4,f=-1.1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 118:sc= -1.02 USER MOD Single : A 53 LYS NZ :NH3+ -118:sc= -1.2! (180deg=-2.54!) USER MOD Single : A 58 THR OG1 : rot 80:sc= -1.52! USER MOD Single : A 62 HIS :FLIP no HD1:sc= -5.34! C(o=-8.9!,f=-5.3!) USER MOD Single : A 65 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.15) USER MOD Single : A 73 THR OG1 : rot 25:sc= 0.309 USER MOD Single : A 75 LYS NZ :NH3+ 144:sc= -0.255! (180deg=-2.91!) USER MOD Single : A 78 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.069) USER MOD Single : A 79 SER OG : rot 110:sc= -0.157 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -7.08! C(o=-8.6!,f=-7.1!) USER MOD Single : A 88 TYR OH : rot 92:sc= -0.117 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.419! C(o=-1.1!,f=-0.42!) USER MOD Single : A 98 SER OG : rot 85:sc= -1.22! USER MOD Single : A 102 SER OG : rot -120:sc= -0.925 USER MOD Single : A 105 SER OG : rot 99:sc= 0.611 USER MOD Single : A 107 GLN : amide:sc= -16.9! C(o=-17!,f=-23!) USER MOD Single : A 108 MET CE :methyl 170:sc= -4.96! (180deg=-5.13!) USER MOD Single : A 109 THR OG1 : rot 85:sc= 0.0367 USER MOD Single : A 111 GLN :FLIP amide:sc= -1.02 F(o=-3.9!,f=-1) USER MOD Single : A 114 LYS NZ :NH3+ -149:sc= -5.85! (180deg=-11.3!) USER MOD Single : A 123 GLN : amide:sc= -10.1! C(o=-10!,f=-17!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -2.803 9.113 -10.593 1.00 0.00 N ATOM 21 CA ASN A 2 -2.580 9.198 -9.154 1.00 0.00 C ATOM 22 C ASN A 2 -1.621 10.345 -8.818 1.00 0.00 C ATOM 23 O ASN A 2 -1.569 11.349 -9.528 1.00 0.00 O ATOM 24 CB ASN A 2 -2.043 7.863 -8.619 1.00 0.00 C ATOM 25 CG ASN A 2 -0.572 7.654 -8.935 1.00 0.00 C ATOM 26 OD1 ASN A 2 0.280 7.722 -8.050 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.270 7.398 -10.202 1.00 0.00 N ATOM 0 HA ASN A 2 -3.534 9.406 -8.669 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.188 7.824 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.622 7.045 -9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.701 7.248 -10.475 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.009 7.351 -10.903 1.00 0.00 H new ATOM 34 N LEU A 3 -0.869 10.192 -7.729 1.00 0.00 N ATOM 35 CA LEU A 3 0.078 11.214 -7.296 1.00 0.00 C ATOM 36 C LEU A 3 1.521 10.779 -7.567 1.00 0.00 C ATOM 37 O LEU A 3 2.116 11.172 -8.570 1.00 0.00 O ATOM 38 CB LEU A 3 -0.122 11.515 -5.805 1.00 0.00 C ATOM 39 CG LEU A 3 -0.753 10.380 -4.995 1.00 0.00 C ATOM 40 CD1 LEU A 3 -0.427 10.520 -3.515 1.00 0.00 C ATOM 41 CD2 LEU A 3 -2.259 10.342 -5.216 1.00 0.00 C ATOM 0 H LEU A 3 -0.899 9.367 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.110 12.122 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.845 11.760 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.749 12.401 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.330 9.437 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.887 9.701 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.654 10.490 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.814 11.470 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.692 9.529 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.697 11.289 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.468 10.181 -6.274 1.00 0.00 H new ATOM 53 N SER A 4 2.078 9.965 -6.671 1.00 0.00 N ATOM 54 CA SER A 4 3.450 9.479 -6.820 1.00 0.00 C ATOM 55 C SER A 4 3.815 8.532 -5.678 1.00 0.00 C ATOM 56 O SER A 4 2.939 8.019 -4.987 1.00 0.00 O ATOM 57 CB SER A 4 4.430 10.654 -6.860 1.00 0.00 C ATOM 58 OG SER A 4 5.758 10.205 -7.071 1.00 0.00 O ATOM 0 H SER A 4 1.601 9.628 -5.835 1.00 0.00 H new ATOM 0 HA SER A 4 3.517 8.931 -7.760 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.145 11.342 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.375 11.209 -5.924 1.00 0.00 H new ATOM 0 HG SER A 4 5.758 9.487 -7.738 1.00 0.00 H new ATOM 64 N LEU A 5 5.111 8.306 -5.481 1.00 0.00 N ATOM 65 CA LEU A 5 5.572 7.422 -4.413 1.00 0.00 C ATOM 66 C LEU A 5 5.925 8.199 -3.176 1.00 0.00 C ATOM 67 O LEU A 5 5.306 8.046 -2.133 1.00 0.00 O ATOM 68 CB LEU A 5 6.788 6.631 -4.844 1.00 0.00 C ATOM 69 CG LEU A 5 6.575 5.829 -6.090 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.838 5.763 -6.935 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.063 4.435 -5.749 1.00 0.00 C ATOM 0 H LEU A 5 5.856 8.719 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 5 4.750 6.740 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.619 7.318 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.079 5.960 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 5 5.815 6.333 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.646 5.173 -7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.137 6.771 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.637 5.297 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.914 3.867 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.792 3.923 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.116 4.516 -5.215 1.00 0.00 H new ATOM 83 N SER A 6 6.949 9.016 -3.299 1.00 0.00 N ATOM 84 CA SER A 6 7.421 9.808 -2.189 1.00 0.00 C ATOM 85 C SER A 6 6.262 10.459 -1.426 1.00 0.00 C ATOM 86 O SER A 6 6.276 10.528 -0.196 1.00 0.00 O ATOM 87 CB SER A 6 8.385 10.871 -2.703 1.00 0.00 C ATOM 88 OG SER A 6 8.402 12.010 -1.858 1.00 0.00 O ATOM 0 H SER A 6 7.472 9.148 -4.164 1.00 0.00 H new ATOM 0 HA SER A 6 7.938 9.150 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.389 10.451 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.096 11.169 -3.711 1.00 0.00 H new ATOM 0 HG SER A 6 9.031 12.672 -2.214 1.00 0.00 H new ATOM 94 N ASP A 7 5.257 10.926 -2.164 1.00 0.00 N ATOM 95 CA ASP A 7 4.096 11.566 -1.549 1.00 0.00 C ATOM 96 C ASP A 7 3.146 10.514 -0.995 1.00 0.00 C ATOM 97 O ASP A 7 2.919 10.443 0.213 1.00 0.00 O ATOM 98 CB ASP A 7 3.358 12.467 -2.550 1.00 0.00 C ATOM 99 CG ASP A 7 4.223 12.895 -3.724 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.436 13.113 -3.520 1.00 0.00 O ATOM 101 OD2 ASP A 7 3.685 13.013 -4.845 1.00 0.00 O ATOM 0 H ASP A 7 5.223 10.874 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 7 4.454 12.192 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.482 11.939 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.996 13.355 -2.031 1.00 0.00 H new ATOM 106 N LEU A 8 2.607 9.685 -1.885 1.00 0.00 N ATOM 107 CA LEU A 8 1.695 8.616 -1.489 1.00 0.00 C ATOM 108 C LEU A 8 2.264 7.863 -0.293 1.00 0.00 C ATOM 109 O LEU A 8 1.552 7.539 0.658 1.00 0.00 O ATOM 110 CB LEU A 8 1.488 7.661 -2.662 1.00 0.00 C ATOM 111 CG LEU A 8 0.214 6.821 -2.612 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.921 7.534 -3.328 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.466 5.465 -3.242 1.00 0.00 C ATOM 0 H LEU A 8 2.787 9.733 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 8 0.735 9.047 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.482 8.242 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.344 6.988 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.073 6.679 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.821 6.921 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.110 8.493 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.647 7.700 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.447 4.870 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.769 5.597 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.257 4.951 -2.696 1.00 0.00 H new ATOM 125 N HIS A 9 3.567 7.620 -0.350 1.00 0.00 N ATOM 126 CA HIS A 9 4.280 6.938 0.717 1.00 0.00 C ATOM 127 C HIS A 9 4.344 7.836 1.939 1.00 0.00 C ATOM 128 O HIS A 9 4.083 7.403 3.058 1.00 0.00 O ATOM 129 CB HIS A 9 5.695 6.581 0.264 1.00 0.00 C ATOM 130 CG HIS A 9 6.451 5.756 1.258 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.581 6.209 1.907 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.232 4.502 1.719 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.023 5.269 2.723 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.223 4.223 2.629 1.00 0.00 N ATOM 0 H HIS A 9 4.157 7.891 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 9 3.750 6.019 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.640 6.038 -0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.249 7.500 0.071 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.008 7.126 1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.428 3.843 1.426 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.892 5.344 3.360 1.00 0.00 H new ATOM 143 N ARG A 10 4.683 9.100 1.709 1.00 0.00 N ATOM 144 CA ARG A 10 4.766 10.074 2.793 1.00 0.00 C ATOM 145 C ARG A 10 3.451 10.116 3.565 1.00 0.00 C ATOM 146 O ARG A 10 3.437 10.126 4.796 1.00 0.00 O ATOM 147 CB ARG A 10 5.094 11.463 2.238 1.00 0.00 C ATOM 148 CG ARG A 10 6.564 11.831 2.355 1.00 0.00 C ATOM 149 CD ARG A 10 6.821 13.256 1.893 1.00 0.00 C ATOM 150 NE ARG A 10 8.209 13.455 1.481 1.00 0.00 N ATOM 151 CZ ARG A 10 9.236 13.488 2.328 1.00 0.00 C ATOM 152 NH1 ARG A 10 9.035 13.343 3.632 1.00 0.00 N ATOM 153 NH2 ARG A 10 10.467 13.670 1.870 1.00 0.00 N ATOM 0 H ARG A 10 4.904 9.474 0.786 1.00 0.00 H new ATOM 0 HA ARG A 10 5.564 9.771 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.799 11.505 1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.498 12.207 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.887 11.719 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.161 11.141 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.158 13.493 1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.579 13.948 2.700 1.00 0.00 H new ATOM 0 HE ARG A 10 8.402 13.576 0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.090 13.205 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.826 13.369 4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.627 13.785 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.254 13.695 2.519 1.00 0.00 H new ATOM 167 N GLN A 11 2.348 10.127 2.824 1.00 0.00 N ATOM 168 CA GLN A 11 1.018 10.154 3.420 1.00 0.00 C ATOM 169 C GLN A 11 0.754 8.874 4.212 1.00 0.00 C ATOM 170 O GLN A 11 0.592 8.899 5.434 1.00 0.00 O ATOM 171 CB GLN A 11 -0.046 10.294 2.327 1.00 0.00 C ATOM 172 CG GLN A 11 -0.165 11.688 1.734 1.00 0.00 C ATOM 173 CD GLN A 11 0.556 11.818 0.408 1.00 0.00 C ATOM 174 OE1 GLN A 11 0.191 11.176 -0.576 1.00 0.00 O ATOM 175 NE2 GLN A 11 1.588 12.651 0.375 1.00 0.00 N ATOM 0 H GLN A 11 2.350 10.118 1.804 1.00 0.00 H new ATOM 0 HA GLN A 11 0.968 11.008 4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.181 9.591 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.013 10.006 2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.218 11.932 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.241 12.415 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.857 13.164 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.113 12.779 -0.490 1.00 0.00 H new ATOM 184 N VAL A 12 0.704 7.757 3.492 1.00 0.00 N ATOM 185 CA VAL A 12 0.448 6.451 4.090 1.00 0.00 C ATOM 186 C VAL A 12 1.430 6.133 5.219 1.00 0.00 C ATOM 187 O VAL A 12 1.029 5.704 6.305 1.00 0.00 O ATOM 188 CB VAL A 12 0.513 5.345 3.011 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.932 5.174 2.489 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.036 4.031 3.544 1.00 0.00 C ATOM 0 H VAL A 12 0.839 7.732 2.481 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.553 6.484 4.520 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.114 5.655 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.949 4.390 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.273 6.111 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.592 4.898 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.021 3.270 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.552 3.714 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.075 4.166 3.844 1.00 0.00 H new ATOM 200 N SER A 13 2.715 6.343 4.954 1.00 0.00 N ATOM 201 CA SER A 13 3.757 6.076 5.936 1.00 0.00 C ATOM 202 C SER A 13 3.572 6.923 7.186 1.00 0.00 C ATOM 203 O SER A 13 3.594 6.409 8.303 1.00 0.00 O ATOM 204 CB SER A 13 5.137 6.342 5.329 1.00 0.00 C ATOM 205 OG SER A 13 6.161 5.761 6.117 1.00 0.00 O ATOM 0 H SER A 13 3.060 6.699 4.063 1.00 0.00 H new ATOM 0 HA SER A 13 3.683 5.027 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.177 5.936 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.301 7.417 5.248 1.00 0.00 H new ATOM 0 HG SER A 13 7.032 5.943 5.707 1.00 0.00 H new ATOM 211 N ARG A 14 3.396 8.223 6.994 1.00 0.00 N ATOM 212 CA ARG A 14 3.220 9.136 8.113 1.00 0.00 C ATOM 213 C ARG A 14 1.894 8.894 8.824 1.00 0.00 C ATOM 214 O ARG A 14 1.732 9.252 9.990 1.00 0.00 O ATOM 215 CB ARG A 14 3.299 10.586 7.633 1.00 0.00 C ATOM 216 CG ARG A 14 3.625 11.577 8.739 1.00 0.00 C ATOM 217 CD ARG A 14 4.940 12.295 8.478 1.00 0.00 C ATOM 218 NE ARG A 14 6.074 11.373 8.474 1.00 0.00 N ATOM 219 CZ ARG A 14 7.251 11.648 7.916 1.00 0.00 C ATOM 220 NH1 ARG A 14 7.455 12.816 7.319 1.00 0.00 N ATOM 221 NH2 ARG A 14 8.228 10.752 7.957 1.00 0.00 N ATOM 0 H ARG A 14 3.371 8.667 6.076 1.00 0.00 H new ATOM 0 HA ARG A 14 4.025 8.949 8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.058 10.661 6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.347 10.862 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.821 12.308 8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.679 11.053 9.693 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.888 12.810 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.095 13.057 9.241 1.00 0.00 H new ATOM 0 HE ARG A 14 5.957 10.466 8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.708 13.509 7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.359 13.020 6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.077 9.854 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.130 10.961 7.530 1.00 0.00 H new ATOM 235 N LEU A 15 0.947 8.291 8.117 1.00 0.00 N ATOM 236 CA LEU A 15 -0.362 8.012 8.685 1.00 0.00 C ATOM 237 C LEU A 15 -0.305 6.853 9.667 1.00 0.00 C ATOM 238 O LEU A 15 -0.637 7.007 10.842 1.00 0.00 O ATOM 239 CB LEU A 15 -1.356 7.696 7.577 1.00 0.00 C ATOM 240 CG LEU A 15 -1.971 8.920 6.913 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.474 8.571 5.523 1.00 0.00 C ATOM 242 CD2 LEU A 15 -3.096 9.483 7.767 1.00 0.00 C ATOM 0 H LEU A 15 1.062 7.987 7.150 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.687 8.901 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.854 7.099 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.156 7.081 7.989 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.201 9.686 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.911 9.456 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.643 8.217 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.230 7.789 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.523 10.357 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.869 8.725 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.703 9.770 8.742 1.00 0.00 H new ATOM 254 N VAL A 16 0.106 5.688 9.180 1.00 0.00 N ATOM 255 CA VAL A 16 0.185 4.510 10.031 1.00 0.00 C ATOM 256 C VAL A 16 1.324 4.629 11.030 1.00 0.00 C ATOM 257 O VAL A 16 1.267 4.056 12.118 1.00 0.00 O ATOM 258 CB VAL A 16 0.349 3.215 9.202 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.336 2.251 9.851 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.996 2.537 9.002 1.00 0.00 C ATOM 0 H VAL A 16 0.387 5.536 8.211 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.757 4.451 10.576 1.00 0.00 H new ATOM 0 HB VAL A 16 0.752 3.497 8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.424 1.353 9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.311 2.730 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.979 1.979 10.844 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.861 1.627 8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.424 2.284 9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.669 3.212 8.474 1.00 0.00 H new ATOM 270 N GLN A 17 2.358 5.365 10.659 1.00 0.00 N ATOM 271 CA GLN A 17 3.500 5.536 11.538 1.00 0.00 C ATOM 272 C GLN A 17 3.276 6.683 12.523 1.00 0.00 C ATOM 273 O GLN A 17 4.060 6.865 13.454 1.00 0.00 O ATOM 274 CB GLN A 17 4.772 5.768 10.721 1.00 0.00 C ATOM 275 CG GLN A 17 5.077 4.649 9.731 1.00 0.00 C ATOM 276 CD GLN A 17 6.215 3.760 10.190 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.149 3.146 11.255 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.270 3.686 9.386 1.00 0.00 N ATOM 0 H GLN A 17 2.430 5.849 9.764 1.00 0.00 H new ATOM 0 HA GLN A 17 3.619 4.620 12.117 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.677 6.707 10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.616 5.878 11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.183 4.043 9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.328 5.083 8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.283 4.212 8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.067 3.103 9.643 1.00 0.00 H new ATOM 287 N GLN A 18 2.203 7.454 12.323 1.00 0.00 N ATOM 288 CA GLN A 18 1.900 8.572 13.213 1.00 0.00 C ATOM 289 C GLN A 18 0.403 8.881 13.246 1.00 0.00 C ATOM 290 O GLN A 18 0.007 10.047 13.229 1.00 0.00 O ATOM 291 CB GLN A 18 2.669 9.824 12.779 1.00 0.00 C ATOM 292 CG GLN A 18 4.111 9.556 12.381 1.00 0.00 C ATOM 293 CD GLN A 18 4.929 10.829 12.259 1.00 0.00 C ATOM 294 OE1 GLN A 18 4.310 11.889 11.751 1.00 0.00 O flip ATOM 295 NE2 GLN A 18 6.106 10.859 12.620 1.00 0.00 N flip ATOM 0 H GLN A 18 1.538 7.325 11.561 1.00 0.00 H new ATOM 0 HA GLN A 18 2.211 8.280 14.216 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.150 10.283 11.938 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.656 10.547 13.595 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.572 8.901 13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.129 9.025 11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.543 10.022 13.005 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.644 11.721 12.534 1.00 0.00 H new ATOM 304 N GLU A 19 -0.434 7.845 13.301 1.00 0.00 N ATOM 305 CA GLU A 19 -1.882 8.052 13.343 1.00 0.00 C ATOM 306 C GLU A 19 -2.653 6.736 13.343 1.00 0.00 C ATOM 307 O GLU A 19 -3.291 6.376 14.333 1.00 0.00 O ATOM 308 CB GLU A 19 -2.337 8.903 12.153 1.00 0.00 C ATOM 309 CG GLU A 19 -3.307 10.010 12.535 1.00 0.00 C ATOM 310 CD GLU A 19 -4.731 9.510 12.679 1.00 0.00 C ATOM 311 OE1 GLU A 19 -5.435 9.417 11.651 1.00 0.00 O ATOM 312 OE2 GLU A 19 -5.143 9.210 13.819 1.00 0.00 O ATOM 0 H GLU A 19 -0.141 6.868 13.317 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.099 8.572 14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.462 9.346 11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.809 8.256 11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.987 10.461 13.474 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.275 10.794 11.778 1.00 0.00 H new ATOM 319 N SER A 20 -2.617 6.042 12.214 1.00 0.00 N ATOM 320 CA SER A 20 -3.338 4.785 12.061 1.00 0.00 C ATOM 321 C SER A 20 -2.713 3.658 12.886 1.00 0.00 C ATOM 322 O SER A 20 -3.190 3.340 13.976 1.00 0.00 O ATOM 323 CB SER A 20 -3.394 4.406 10.577 1.00 0.00 C ATOM 324 OG SER A 20 -3.936 5.462 9.803 1.00 0.00 O ATOM 0 H SER A 20 -2.094 6.329 11.387 1.00 0.00 H new ATOM 0 HA SER A 20 -4.350 4.927 12.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.392 4.167 10.221 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.000 3.509 10.450 1.00 0.00 H new ATOM 0 HG SER A 20 -4.279 6.161 10.398 1.00 0.00 H new ATOM 330 N GLY A 21 -1.661 3.050 12.354 1.00 0.00 N ATOM 331 CA GLY A 21 -1.000 1.957 13.041 1.00 0.00 C ATOM 332 C GLY A 21 -1.019 0.687 12.214 1.00 0.00 C ATOM 333 O GLY A 21 -0.083 -0.112 12.260 1.00 0.00 O ATOM 0 H GLY A 21 -1.251 3.296 11.453 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.031 2.234 13.260 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.491 1.777 13.997 1.00 0.00 H new ATOM 337 N ASP A 22 -2.095 0.509 11.451 1.00 0.00 N ATOM 338 CA ASP A 22 -2.259 -0.664 10.590 1.00 0.00 C ATOM 339 C ASP A 22 -3.683 -0.738 10.029 1.00 0.00 C ATOM 340 O ASP A 22 -4.190 -1.821 9.740 1.00 0.00 O ATOM 341 CB ASP A 22 -1.947 -1.946 11.365 1.00 0.00 C ATOM 342 CG ASP A 22 -0.820 -2.743 10.737 1.00 0.00 C ATOM 343 OD1 ASP A 22 0.353 -2.350 10.912 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.109 -3.758 10.071 1.00 0.00 O ATOM 0 H ASP A 22 -2.873 1.167 11.411 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.560 -0.567 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.680 -1.691 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.843 -2.565 11.413 1.00 0.00 H new ATOM 349 N CYS A 23 -4.319 0.420 9.882 1.00 0.00 N ATOM 350 CA CYS A 23 -5.680 0.498 9.361 1.00 0.00 C ATOM 351 C CYS A 23 -5.674 0.410 7.834 1.00 0.00 C ATOM 352 O CYS A 23 -4.735 -0.129 7.248 1.00 0.00 O ATOM 353 CB CYS A 23 -6.333 1.801 9.838 1.00 0.00 C ATOM 354 SG CYS A 23 -7.528 1.578 11.176 1.00 0.00 S ATOM 0 H CYS A 23 -3.910 1.324 10.118 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.262 -0.343 9.737 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.553 2.485 10.172 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.833 2.275 8.993 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.399 2.543 12.038 1.00 0.00 H new ATOM 360 N THR A 24 -6.714 0.932 7.185 1.00 0.00 N ATOM 361 CA THR A 24 -6.787 0.889 5.730 1.00 0.00 C ATOM 362 C THR A 24 -6.464 2.254 5.137 1.00 0.00 C ATOM 363 O THR A 24 -6.475 3.265 5.839 1.00 0.00 O ATOM 364 CB THR A 24 -8.169 0.429 5.267 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.990 0.101 6.374 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.119 -0.778 4.356 1.00 0.00 C ATOM 0 H THR A 24 -7.508 1.384 7.639 1.00 0.00 H new ATOM 0 HA THR A 24 -6.048 0.170 5.378 1.00 0.00 H new ATOM 0 HB THR A 24 -8.582 1.270 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.930 0.249 6.139 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.132 -1.055 4.063 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.536 -0.539 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.653 -1.612 4.882 1.00 0.00 H new ATOM 374 N GLY A 25 -6.155 2.274 3.845 1.00 0.00 N ATOM 375 CA GLY A 25 -5.809 3.519 3.190 1.00 0.00 C ATOM 376 C GLY A 25 -6.851 3.993 2.195 1.00 0.00 C ATOM 377 O GLY A 25 -7.556 3.191 1.583 1.00 0.00 O ATOM 0 H GLY A 25 -6.138 1.452 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.665 4.290 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.856 3.396 2.675 1.00 0.00 H new ATOM 381 N LYS A 26 -6.929 5.309 2.028 1.00 0.00 N ATOM 382 CA LYS A 26 -7.867 5.926 1.096 1.00 0.00 C ATOM 383 C LYS A 26 -7.095 6.611 -0.028 1.00 0.00 C ATOM 384 O LYS A 26 -6.507 7.668 0.184 1.00 0.00 O ATOM 385 CB LYS A 26 -8.726 6.952 1.838 1.00 0.00 C ATOM 386 CG LYS A 26 -10.028 7.291 1.137 1.00 0.00 C ATOM 387 CD LYS A 26 -9.797 8.200 -0.061 1.00 0.00 C ATOM 388 CE LYS A 26 -11.108 8.625 -0.705 1.00 0.00 C ATOM 389 NZ LYS A 26 -12.209 8.763 0.289 1.00 0.00 N ATOM 0 H LYS A 26 -6.346 5.976 2.533 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.514 5.159 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.951 6.570 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.148 7.867 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.516 6.373 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.704 7.778 1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.243 9.084 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.181 7.683 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.966 9.575 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.393 7.893 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.024 9.229 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.491 7.821 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.881 9.336 1.093 1.00 0.00 H new ATOM 403 N LEU A 27 -7.071 6.000 -1.213 1.00 0.00 N ATOM 404 CA LEU A 27 -6.321 6.564 -2.336 1.00 0.00 C ATOM 405 C LEU A 27 -7.208 7.169 -3.422 1.00 0.00 C ATOM 406 O LEU A 27 -8.347 6.749 -3.624 1.00 0.00 O ATOM 407 CB LEU A 27 -5.419 5.500 -2.958 1.00 0.00 C ATOM 408 CG LEU A 27 -4.020 5.993 -3.327 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.085 5.863 -2.137 1.00 0.00 C ATOM 410 CD2 LEU A 27 -3.478 5.228 -4.525 1.00 0.00 C ATOM 0 H LEU A 27 -7.555 5.126 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.725 7.377 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.325 4.668 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.902 5.111 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.085 7.046 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.092 6.218 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.466 6.460 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.025 4.818 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.481 5.595 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.425 4.166 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.139 5.374 -5.379 1.00 0.00 H new ATOM 422 N ARG A 28 -6.627 8.152 -4.124 1.00 0.00 N ATOM 423 CA ARG A 28 -7.263 8.877 -5.233 1.00 0.00 C ATOM 424 C ARG A 28 -6.838 10.344 -5.196 1.00 0.00 C ATOM 425 O ARG A 28 -7.673 11.246 -5.126 1.00 0.00 O ATOM 426 CB ARG A 28 -8.796 8.767 -5.214 1.00 0.00 C ATOM 427 CG ARG A 28 -9.452 9.286 -3.944 1.00 0.00 C ATOM 428 CD ARG A 28 -10.970 9.214 -4.038 1.00 0.00 C ATOM 429 NE ARG A 28 -11.427 8.005 -4.726 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.103 8.006 -5.874 1.00 0.00 C ATOM 431 NH1 ARG A 28 -12.398 9.148 -6.486 1.00 0.00 N ATOM 432 NH2 ARG A 28 -12.484 6.858 -6.416 1.00 0.00 N ATOM 0 H ARG A 28 -5.678 8.473 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.927 8.413 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.197 9.317 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.074 7.722 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.110 8.701 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.145 10.317 -3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.396 9.242 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.341 10.092 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.214 7.104 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.106 10.036 -6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.916 9.137 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.260 5.977 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.002 6.856 -7.295 1.00 0.00 H new ATOM 446 N GLY A 29 -5.524 10.569 -5.219 1.00 0.00 N ATOM 447 CA GLY A 29 -4.995 11.921 -5.160 1.00 0.00 C ATOM 448 C GLY A 29 -4.398 12.223 -3.797 1.00 0.00 C ATOM 449 O GLY A 29 -3.694 13.216 -3.615 1.00 0.00 O ATOM 0 H GLY A 29 -4.817 9.836 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.233 12.049 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.790 12.634 -5.377 1.00 0.00 H new ATOM 453 N ASN A 30 -4.689 11.345 -2.842 1.00 0.00 N ATOM 454 CA ASN A 30 -4.204 11.468 -1.477 1.00 0.00 C ATOM 455 C ASN A 30 -4.434 10.147 -0.750 1.00 0.00 C ATOM 456 O ASN A 30 -5.199 9.308 -1.222 1.00 0.00 O ATOM 457 CB ASN A 30 -4.915 12.629 -0.760 1.00 0.00 C ATOM 458 CG ASN A 30 -5.749 12.188 0.433 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.743 11.344 0.182 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.500 12.602 1.566 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.273 10.523 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.137 11.689 -1.481 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.169 13.349 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.559 13.145 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.726 13.250 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.068 12.297 2.357 1.00 0.00 H new ATOM 467 N VAL A 31 -3.796 9.961 0.397 1.00 0.00 N ATOM 468 CA VAL A 31 -3.980 8.730 1.156 1.00 0.00 C ATOM 469 C VAL A 31 -4.499 9.027 2.563 1.00 0.00 C ATOM 470 O VAL A 31 -3.838 9.692 3.360 1.00 0.00 O ATOM 471 CB VAL A 31 -2.690 7.866 1.205 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.578 8.483 0.369 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.219 7.626 2.633 1.00 0.00 C ATOM 0 H VAL A 31 -3.156 10.634 0.818 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.732 8.142 0.630 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.943 6.897 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.689 7.854 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.903 8.561 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.344 9.477 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.315 7.018 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.007 8.582 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.998 7.106 3.191 1.00 0.00 H new ATOM 483 N ALA A 32 -5.699 8.531 2.848 1.00 0.00 N ATOM 484 CA ALA A 32 -6.337 8.734 4.146 1.00 0.00 C ATOM 485 C ALA A 32 -6.344 7.442 4.956 1.00 0.00 C ATOM 486 O ALA A 32 -6.081 6.367 4.420 1.00 0.00 O ATOM 487 CB ALA A 32 -7.755 9.254 3.964 1.00 0.00 C ATOM 0 H ALA A 32 -6.254 7.981 2.192 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.760 9.477 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.217 9.400 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.729 10.203 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.337 8.531 3.392 1.00 0.00 H new ATOM 493 N ALA A 33 -6.635 7.549 6.250 1.00 0.00 N ATOM 494 CA ALA A 33 -6.659 6.379 7.118 1.00 0.00 C ATOM 495 C ALA A 33 -8.088 5.940 7.417 1.00 0.00 C ATOM 496 O ALA A 33 -8.881 6.696 7.977 1.00 0.00 O ATOM 497 CB ALA A 33 -5.921 6.673 8.414 1.00 0.00 C ATOM 0 H ALA A 33 -6.856 8.429 6.717 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.158 5.563 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.946 5.792 9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.886 6.932 8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.402 7.507 8.925 1.00 0.00 H new ATOM 503 N ASN A 34 -8.404 4.707 7.028 1.00 0.00 N ATOM 504 CA ASN A 34 -9.733 4.147 7.239 1.00 0.00 C ATOM 505 C ASN A 34 -9.759 3.256 8.479 1.00 0.00 C ATOM 506 O ASN A 34 -9.008 2.284 8.575 1.00 0.00 O ATOM 507 CB ASN A 34 -10.163 3.349 6.001 1.00 0.00 C ATOM 508 CG ASN A 34 -11.311 2.395 6.275 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.280 1.232 5.633 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.213 2.698 7.056 1.00 0.00 N flip ATOM 0 H ASN A 34 -7.752 4.075 6.563 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.433 4.967 7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.456 4.043 5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.310 2.783 5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.197 3.602 7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.976 2.045 7.232 1.00 0.00 H new ATOM 517 N LYS A 35 -10.631 3.597 9.422 1.00 0.00 N ATOM 518 CA LYS A 35 -10.766 2.834 10.659 1.00 0.00 C ATOM 519 C LYS A 35 -12.172 2.253 10.797 1.00 0.00 C ATOM 520 O LYS A 35 -12.381 1.277 11.519 1.00 0.00 O ATOM 521 CB LYS A 35 -10.449 3.713 11.874 1.00 0.00 C ATOM 522 CG LYS A 35 -9.488 4.857 11.581 1.00 0.00 C ATOM 523 CD LYS A 35 -9.465 5.869 12.716 1.00 0.00 C ATOM 524 CE LYS A 35 -10.732 6.709 12.741 1.00 0.00 C ATOM 525 NZ LYS A 35 -10.777 7.683 11.616 1.00 0.00 N ATOM 0 H LYS A 35 -11.257 4.399 9.353 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.052 2.011 10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.380 4.126 12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.024 3.088 12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.485 4.460 11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.782 5.353 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.354 5.348 13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.598 6.520 12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.602 6.055 12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.793 7.246 13.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.532 8.377 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.864 8.175 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.967 7.178 10.727 1.00 0.00 H new ATOM 539 N GLU A 36 -13.134 2.859 10.108 1.00 0.00 N ATOM 540 CA GLU A 36 -14.518 2.402 10.161 1.00 0.00 C ATOM 541 C GLU A 36 -14.686 1.046 9.478 1.00 0.00 C ATOM 542 O GLU A 36 -15.696 0.369 9.671 1.00 0.00 O ATOM 543 CB GLU A 36 -15.437 3.432 9.502 1.00 0.00 C ATOM 544 CG GLU A 36 -16.910 3.218 9.811 1.00 0.00 C ATOM 545 CD GLU A 36 -17.638 2.490 8.698 1.00 0.00 C ATOM 546 OE1 GLU A 36 -17.604 2.976 7.548 1.00 0.00 O ATOM 547 OE2 GLU A 36 -18.243 1.433 8.977 1.00 0.00 O ATOM 0 H GLU A 36 -12.980 3.668 9.506 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.791 2.288 11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.146 4.430 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.292 3.398 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.005 2.649 10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.386 4.184 9.981 1.00 0.00 H new ATOM 554 N THR A 37 -13.699 0.653 8.677 1.00 0.00 N ATOM 555 CA THR A 37 -13.756 -0.622 7.970 1.00 0.00 C ATOM 556 C THR A 37 -12.431 -1.370 8.071 1.00 0.00 C ATOM 557 O THR A 37 -11.507 -0.933 8.758 1.00 0.00 O ATOM 558 CB THR A 37 -14.116 -0.397 6.499 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.849 0.941 6.116 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.568 -0.682 6.184 1.00 0.00 C ATOM 0 H THR A 37 -12.854 1.197 8.502 1.00 0.00 H new ATOM 0 HA THR A 37 -14.528 -1.231 8.441 1.00 0.00 H new ATOM 0 HB THR A 37 -13.497 -1.100 5.942 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.071 0.962 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.753 -0.502 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.794 -1.722 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.205 -0.028 6.780 1.00 0.00 H new ATOM 568 N THR A 38 -12.350 -2.498 7.374 1.00 0.00 N ATOM 569 CA THR A 38 -11.145 -3.319 7.366 1.00 0.00 C ATOM 570 C THR A 38 -10.997 -4.008 6.016 1.00 0.00 C ATOM 571 O THR A 38 -11.742 -4.934 5.697 1.00 0.00 O ATOM 572 CB THR A 38 -11.197 -4.360 8.486 1.00 0.00 C ATOM 573 OG1 THR A 38 -12.271 -5.261 8.283 1.00 0.00 O ATOM 574 CG2 THR A 38 -11.362 -3.752 9.862 1.00 0.00 C ATOM 0 H THR A 38 -13.111 -2.867 6.803 1.00 0.00 H new ATOM 0 HA THR A 38 -10.282 -2.675 7.534 1.00 0.00 H new ATOM 0 HB THR A 38 -10.237 -4.874 8.447 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.461 -5.333 7.324 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.391 -4.545 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.522 -3.089 10.070 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.291 -3.184 9.900 1.00 0.00 H new ATOM 582 N PHE A 39 -10.047 -3.538 5.215 1.00 0.00 N ATOM 583 CA PHE A 39 -9.830 -4.103 3.888 1.00 0.00 C ATOM 584 C PHE A 39 -8.463 -4.753 3.747 1.00 0.00 C ATOM 585 O PHE A 39 -7.449 -4.224 4.204 1.00 0.00 O ATOM 586 CB PHE A 39 -10.011 -3.033 2.824 1.00 0.00 C ATOM 587 CG PHE A 39 -11.261 -2.223 3.024 1.00 0.00 C ATOM 588 CD1 PHE A 39 -12.503 -2.839 3.046 1.00 0.00 C ATOM 589 CD2 PHE A 39 -11.197 -0.852 3.206 1.00 0.00 C ATOM 590 CE1 PHE A 39 -13.655 -2.101 3.247 1.00 0.00 C ATOM 591 CE2 PHE A 39 -12.346 -0.109 3.402 1.00 0.00 C ATOM 592 CZ PHE A 39 -13.576 -0.735 3.423 1.00 0.00 C ATOM 0 H PHE A 39 -9.419 -2.772 5.459 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.575 -4.886 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.147 -2.368 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.042 -3.504 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.571 -3.908 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.237 -0.357 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.616 -2.594 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.281 0.960 3.539 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.475 -0.156 3.577 1.00 0.00 H new ATOM 602 N GLN A 40 -8.461 -5.907 3.095 1.00 0.00 N ATOM 603 CA GLN A 40 -7.243 -6.670 2.851 1.00 0.00 C ATOM 604 C GLN A 40 -7.103 -6.971 1.360 1.00 0.00 C ATOM 605 O GLN A 40 -6.036 -6.792 0.775 1.00 0.00 O ATOM 606 CB GLN A 40 -7.245 -7.976 3.658 1.00 0.00 C ATOM 607 CG GLN A 40 -8.562 -8.271 4.363 1.00 0.00 C ATOM 608 CD GLN A 40 -9.663 -8.671 3.401 1.00 0.00 C ATOM 609 OE1 GLN A 40 -10.810 -8.008 3.506 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -9.487 -9.565 2.572 1.00 0.00 N flip ATOM 0 H GLN A 40 -9.304 -6.342 2.720 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.392 -6.071 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.010 -8.804 2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.449 -7.932 4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.410 -9.071 5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.876 -7.389 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.590 -10.048 2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.238 -9.822 1.932 1.00 0.00 H new ATOM 619 N GLY A 41 -8.200 -7.415 0.753 1.00 0.00 N ATOM 620 CA GLY A 41 -8.204 -7.722 -0.666 1.00 0.00 C ATOM 621 C GLY A 41 -9.538 -8.279 -1.126 1.00 0.00 C ATOM 622 O GLY A 41 -9.679 -9.482 -1.348 1.00 0.00 O ATOM 0 H GLY A 41 -9.092 -7.568 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.974 -6.820 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.416 -8.444 -0.882 1.00 0.00 H new ATOM 626 N LEU A 42 -10.516 -7.392 -1.272 1.00 0.00 N ATOM 627 CA LEU A 42 -11.851 -7.763 -1.713 1.00 0.00 C ATOM 628 C LEU A 42 -12.127 -7.162 -3.090 1.00 0.00 C ATOM 629 O LEU A 42 -11.197 -6.805 -3.812 1.00 0.00 O ATOM 630 CB LEU A 42 -12.892 -7.275 -0.702 1.00 0.00 C ATOM 631 CG LEU A 42 -13.853 -8.340 -0.177 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.446 -9.156 -1.315 1.00 0.00 C ATOM 633 CD2 LEU A 42 -13.148 -9.239 0.830 1.00 0.00 C ATOM 0 H LEU A 42 -10.403 -6.395 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.916 -8.849 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.369 -6.833 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.477 -6.480 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.677 -7.836 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.126 -9.906 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.993 -8.497 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.645 -9.651 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.845 -9.993 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.302 -9.730 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.792 -8.638 1.667 1.00 0.00 H new ATOM 645 N THR A 43 -13.400 -7.042 -3.453 1.00 0.00 N ATOM 646 CA THR A 43 -13.760 -6.480 -4.746 1.00 0.00 C ATOM 647 C THR A 43 -14.935 -5.513 -4.636 1.00 0.00 C ATOM 648 O THR A 43 -15.678 -5.314 -5.597 1.00 0.00 O ATOM 649 CB THR A 43 -14.096 -7.599 -5.727 1.00 0.00 C ATOM 650 OG1 THR A 43 -13.414 -8.792 -5.381 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.733 -7.260 -7.155 1.00 0.00 C ATOM 0 H THR A 43 -14.192 -7.324 -2.875 1.00 0.00 H new ATOM 0 HA THR A 43 -12.901 -5.918 -5.113 1.00 0.00 H new ATOM 0 HB THR A 43 -15.176 -7.732 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.644 -9.498 -6.021 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.996 -8.094 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.279 -6.370 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.662 -7.071 -7.223 1.00 0.00 H new ATOM 659 N ILE A 44 -15.093 -4.906 -3.464 1.00 0.00 N ATOM 660 CA ILE A 44 -16.174 -3.949 -3.232 1.00 0.00 C ATOM 661 C ILE A 44 -17.548 -4.620 -3.234 1.00 0.00 C ATOM 662 O ILE A 44 -18.571 -3.947 -3.114 1.00 0.00 O ATOM 663 CB ILE A 44 -16.172 -2.829 -4.292 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.739 -2.390 -4.620 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.998 -1.643 -3.811 1.00 0.00 C ATOM 666 CD1 ILE A 44 -14.350 -2.624 -6.063 1.00 0.00 C ATOM 0 H ILE A 44 -14.487 -5.059 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.990 -3.522 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.623 -3.220 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.631 -1.330 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.046 -2.928 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.987 -0.860 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.025 -1.963 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.574 -1.256 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.325 -2.290 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.425 -3.687 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.019 -2.064 -6.716 1.00 0.00 H new ATOM 678 N ALA A 45 -17.570 -5.942 -3.367 1.00 0.00 N ATOM 679 CA ALA A 45 -18.823 -6.685 -3.380 1.00 0.00 C ATOM 680 C ALA A 45 -19.171 -7.188 -1.983 1.00 0.00 C ATOM 681 O ALA A 45 -20.343 -7.270 -1.615 1.00 0.00 O ATOM 682 CB ALA A 45 -18.739 -7.848 -4.357 1.00 0.00 C ATOM 0 H ALA A 45 -16.735 -6.519 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.615 -6.011 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.683 -8.393 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.541 -7.468 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.933 -8.517 -4.057 1.00 0.00 H new ATOM 688 N SER A 46 -18.143 -7.520 -1.208 1.00 0.00 N ATOM 689 CA SER A 46 -18.338 -8.011 0.150 1.00 0.00 C ATOM 690 C SER A 46 -18.134 -6.893 1.165 1.00 0.00 C ATOM 691 O SER A 46 -18.736 -6.898 2.239 1.00 0.00 O ATOM 692 CB SER A 46 -17.376 -9.164 0.443 1.00 0.00 C ATOM 693 OG SER A 46 -17.866 -9.983 1.491 1.00 0.00 O ATOM 0 H SER A 46 -17.167 -7.458 -1.498 1.00 0.00 H new ATOM 0 HA SER A 46 -19.363 -8.373 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.237 -9.763 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.398 -8.766 0.715 1.00 0.00 H new ATOM 0 HG SER A 46 -17.234 -10.713 1.658 1.00 0.00 H new ATOM 699 N GLY A 47 -17.284 -5.933 0.817 1.00 0.00 N ATOM 700 CA GLY A 47 -17.019 -4.822 1.710 1.00 0.00 C ATOM 701 C GLY A 47 -15.712 -4.124 1.397 1.00 0.00 C ATOM 702 O GLY A 47 -14.687 -4.405 2.018 1.00 0.00 O ATOM 0 H GLY A 47 -16.775 -5.905 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.836 -4.103 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.997 -5.184 2.738 1.00 0.00 H new ATOM 706 N ALA A 48 -15.747 -3.209 0.434 1.00 0.00 N ATOM 707 CA ALA A 48 -14.555 -2.464 0.047 1.00 0.00 C ATOM 708 C ALA A 48 -14.886 -1.012 -0.268 1.00 0.00 C ATOM 709 O ALA A 48 -16.035 -0.583 -0.153 1.00 0.00 O ATOM 710 CB ALA A 48 -13.883 -3.107 -1.154 1.00 0.00 C ATOM 0 H ALA A 48 -16.586 -2.966 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.869 -2.487 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.996 -2.534 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.594 -4.128 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.577 -3.121 -1.995 1.00 0.00 H new ATOM 716 N ARG A 49 -13.869 -0.267 -0.681 1.00 0.00 N ATOM 717 CA ARG A 49 -14.034 1.136 -1.034 1.00 0.00 C ATOM 718 C ARG A 49 -13.188 1.473 -2.256 1.00 0.00 C ATOM 719 O ARG A 49 -12.084 0.955 -2.419 1.00 0.00 O ATOM 720 CB ARG A 49 -13.642 2.035 0.140 1.00 0.00 C ATOM 721 CG ARG A 49 -14.539 3.253 0.300 1.00 0.00 C ATOM 722 CD ARG A 49 -15.520 3.080 1.448 1.00 0.00 C ATOM 723 NE ARG A 49 -16.389 1.921 1.255 1.00 0.00 N ATOM 724 CZ ARG A 49 -17.266 1.494 2.160 1.00 0.00 C ATOM 725 NH1 ARG A 49 -17.397 2.128 3.319 1.00 0.00 N ATOM 726 NH2 ARG A 49 -18.017 0.431 1.905 1.00 0.00 N ATOM 0 H ARG A 49 -12.915 -0.614 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.084 1.312 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.670 1.450 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.613 2.367 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.925 4.137 0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.088 3.425 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.969 2.969 2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.130 3.979 1.543 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.319 1.410 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.824 2.947 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.071 1.796 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.922 -0.059 1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.689 0.103 2.599 1.00 0.00 H new ATOM 740 N GLU A 50 -13.709 2.340 -3.118 1.00 0.00 N ATOM 741 CA GLU A 50 -12.994 2.737 -4.326 1.00 0.00 C ATOM 742 C GLU A 50 -11.552 3.127 -4.005 1.00 0.00 C ATOM 743 O GLU A 50 -10.634 2.880 -4.789 1.00 0.00 O ATOM 744 CB GLU A 50 -13.711 3.905 -5.007 1.00 0.00 C ATOM 745 CG GLU A 50 -15.127 3.574 -5.449 1.00 0.00 C ATOM 746 CD GLU A 50 -16.175 4.118 -4.499 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.328 3.552 -3.396 1.00 0.00 O ATOM 748 OE2 GLU A 50 -16.844 5.111 -4.857 1.00 0.00 O ATOM 0 H GLU A 50 -14.622 2.780 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.977 1.884 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.742 4.751 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.132 4.219 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.298 3.982 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.237 2.492 -5.525 1.00 0.00 H new ATOM 755 N SER A 51 -11.366 3.736 -2.843 1.00 0.00 N ATOM 756 CA SER A 51 -10.045 4.169 -2.406 1.00 0.00 C ATOM 757 C SER A 51 -9.105 2.982 -2.217 1.00 0.00 C ATOM 758 O SER A 51 -8.066 2.892 -2.872 1.00 0.00 O ATOM 759 CB SER A 51 -10.161 4.954 -1.103 1.00 0.00 C ATOM 760 OG SER A 51 -11.447 5.537 -0.975 1.00 0.00 O ATOM 0 H SER A 51 -12.116 3.942 -2.183 1.00 0.00 H new ATOM 0 HA SER A 51 -9.626 4.810 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.972 4.293 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.400 5.734 -1.075 1.00 0.00 H new ATOM 0 HG SER A 51 -11.895 5.170 -0.184 1.00 0.00 H new ATOM 766 N GLU A 52 -9.474 2.077 -1.311 1.00 0.00 N ATOM 767 CA GLU A 52 -8.656 0.889 -1.028 1.00 0.00 C ATOM 768 C GLU A 52 -8.167 0.254 -2.325 1.00 0.00 C ATOM 769 O GLU A 52 -6.968 0.241 -2.617 1.00 0.00 O ATOM 770 CB GLU A 52 -9.441 -0.156 -0.216 1.00 0.00 C ATOM 771 CG GLU A 52 -10.721 0.365 0.423 1.00 0.00 C ATOM 772 CD GLU A 52 -10.456 1.416 1.484 1.00 0.00 C ATOM 773 OE1 GLU A 52 -9.311 1.488 1.976 1.00 0.00 O ATOM 774 OE2 GLU A 52 -11.395 2.166 1.824 1.00 0.00 O ATOM 0 H GLU A 52 -10.330 2.140 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.801 1.218 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.691 -0.991 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.793 -0.548 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.363 0.788 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.265 -0.467 0.869 1.00 0.00 H new ATOM 781 N LYS A 53 -9.111 -0.261 -3.103 1.00 0.00 N ATOM 782 CA LYS A 53 -8.790 -0.889 -4.382 1.00 0.00 C ATOM 783 C LYS A 53 -7.836 -0.012 -5.193 1.00 0.00 C ATOM 784 O LYS A 53 -6.804 -0.487 -5.668 1.00 0.00 O ATOM 785 CB LYS A 53 -10.061 -1.165 -5.190 1.00 0.00 C ATOM 786 CG LYS A 53 -11.118 -0.075 -5.054 1.00 0.00 C ATOM 787 CD LYS A 53 -11.890 0.218 -6.349 1.00 0.00 C ATOM 788 CE LYS A 53 -11.266 -0.400 -7.596 1.00 0.00 C ATOM 789 NZ LYS A 53 -9.948 0.213 -7.925 1.00 0.00 N ATOM 0 H LYS A 53 -10.105 -0.257 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.299 -1.839 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.797 -1.274 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.487 -2.115 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.827 -0.367 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.636 0.842 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.910 -0.152 -6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.955 1.298 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.139 -1.472 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.944 -0.276 -8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.000 0.669 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.707 0.924 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.216 -0.526 -7.941 1.00 0.00 H new ATOM 803 N VAL A 54 -8.169 1.276 -5.338 1.00 0.00 N ATOM 804 CA VAL A 54 -7.310 2.195 -6.079 1.00 0.00 C ATOM 805 C VAL A 54 -5.912 2.198 -5.476 1.00 0.00 C ATOM 806 O VAL A 54 -4.912 2.238 -6.193 1.00 0.00 O ATOM 807 CB VAL A 54 -7.868 3.636 -6.077 1.00 0.00 C ATOM 808 CG1 VAL A 54 -6.854 4.615 -6.655 1.00 0.00 C ATOM 809 CG2 VAL A 54 -9.172 3.705 -6.851 1.00 0.00 C ATOM 0 H VAL A 54 -9.016 1.697 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.274 1.847 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.063 3.920 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.272 5.622 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.944 4.592 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.620 4.333 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.549 4.728 -6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.000 3.395 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.904 3.042 -6.390 1.00 0.00 H new ATOM 819 N PHE A 55 -5.855 2.141 -4.150 1.00 0.00 N ATOM 820 CA PHE A 55 -4.583 2.120 -3.441 1.00 0.00 C ATOM 821 C PHE A 55 -3.736 0.951 -3.925 1.00 0.00 C ATOM 822 O PHE A 55 -2.576 1.122 -4.299 1.00 0.00 O ATOM 823 CB PHE A 55 -4.816 2.008 -1.934 1.00 0.00 C ATOM 824 CG PHE A 55 -3.848 2.806 -1.105 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.522 2.930 -1.488 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.268 3.431 0.058 1.00 0.00 C ATOM 827 CE1 PHE A 55 -1.633 3.662 -0.726 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.382 4.164 0.825 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.064 4.280 0.431 1.00 0.00 C ATOM 0 H PHE A 55 -6.676 2.109 -3.545 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.054 3.051 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.830 2.338 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.749 0.960 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.180 2.449 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.299 3.345 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.602 3.751 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.720 4.645 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.370 4.854 1.028 1.00 0.00 H new ATOM 839 N ALA A 56 -4.335 -0.236 -3.930 1.00 0.00 N ATOM 840 CA ALA A 56 -3.645 -1.437 -4.386 1.00 0.00 C ATOM 841 C ALA A 56 -3.259 -1.306 -5.855 1.00 0.00 C ATOM 842 O ALA A 56 -2.233 -1.829 -6.290 1.00 0.00 O ATOM 843 CB ALA A 56 -4.520 -2.664 -4.172 1.00 0.00 C ATOM 0 H ALA A 56 -5.295 -0.391 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.733 -1.556 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.991 -3.553 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.749 -2.767 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.447 -2.552 -4.734 1.00 0.00 H new ATOM 849 N GLN A 57 -4.092 -0.601 -6.611 1.00 0.00 N ATOM 850 CA GLN A 57 -3.849 -0.392 -8.033 1.00 0.00 C ATOM 851 C GLN A 57 -2.678 0.565 -8.254 1.00 0.00 C ATOM 852 O GLN A 57 -1.742 0.257 -8.995 1.00 0.00 O ATOM 853 CB GLN A 57 -5.113 0.158 -8.701 1.00 0.00 C ATOM 854 CG GLN A 57 -4.912 0.582 -10.148 1.00 0.00 C ATOM 855 CD GLN A 57 -4.520 -0.575 -11.045 1.00 0.00 C ATOM 856 OE1 GLN A 57 -3.545 -0.493 -11.792 1.00 0.00 O ATOM 857 NE2 GLN A 57 -5.280 -1.661 -10.977 1.00 0.00 N ATOM 0 H GLN A 57 -4.944 -0.163 -6.262 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.592 -1.351 -8.483 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.893 -0.602 -8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.471 1.014 -8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.832 1.032 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.140 1.350 -10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.079 -1.686 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.065 -2.471 -11.558 1.00 0.00 H new ATOM 866 N THR A 58 -2.741 1.727 -7.611 1.00 0.00 N ATOM 867 CA THR A 58 -1.692 2.729 -7.745 1.00 0.00 C ATOM 868 C THR A 58 -0.350 2.182 -7.280 1.00 0.00 C ATOM 869 O THR A 58 0.661 2.320 -7.974 1.00 0.00 O ATOM 870 CB THR A 58 -2.051 3.990 -6.954 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.438 4.261 -7.049 1.00 0.00 O ATOM 872 CG2 THR A 58 -1.311 5.220 -7.430 1.00 0.00 C ATOM 0 H THR A 58 -3.507 1.997 -6.993 1.00 0.00 H new ATOM 0 HA THR A 58 -1.608 2.987 -8.801 1.00 0.00 H new ATOM 0 HB THR A 58 -1.758 3.782 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.928 3.681 -6.430 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.609 6.079 -6.829 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.238 5.061 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.552 5.407 -8.476 1.00 0.00 H new ATOM 880 N VAL A 59 -0.337 1.561 -6.105 1.00 0.00 N ATOM 881 CA VAL A 59 0.897 1.008 -5.575 1.00 0.00 C ATOM 882 C VAL A 59 1.395 -0.149 -6.427 1.00 0.00 C ATOM 883 O VAL A 59 2.584 -0.228 -6.739 1.00 0.00 O ATOM 884 CB VAL A 59 0.767 0.549 -4.108 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.057 -0.724 -3.972 1.00 0.00 C ATOM 886 CG2 VAL A 59 2.147 0.340 -3.529 1.00 0.00 C ATOM 0 H VAL A 59 -1.156 1.431 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 59 1.624 1.820 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 59 0.241 1.329 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.119 -1.006 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.060 -0.551 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.418 -1.527 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.061 0.015 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.672 -0.422 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.705 1.275 -3.571 1.00 0.00 H new ATOM 896 N LEU A 60 0.491 -1.047 -6.810 1.00 0.00 N ATOM 897 CA LEU A 60 0.874 -2.182 -7.629 1.00 0.00 C ATOM 898 C LEU A 60 1.595 -1.706 -8.884 1.00 0.00 C ATOM 899 O LEU A 60 2.630 -2.252 -9.267 1.00 0.00 O ATOM 900 CB LEU A 60 -0.354 -3.007 -8.011 1.00 0.00 C ATOM 901 CG LEU A 60 -0.062 -4.152 -8.976 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.193 -5.496 -8.275 1.00 0.00 C ATOM 903 CD2 LEU A 60 -0.981 -4.085 -10.187 1.00 0.00 C ATOM 0 H LEU A 60 -0.499 -1.008 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 60 1.549 -2.812 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.800 -3.416 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.096 -2.347 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 60 0.966 -4.048 -9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.020 -6.298 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.515 -5.545 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.207 -5.609 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.755 -4.911 -10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.019 -4.156 -9.861 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.829 -3.139 -10.707 1.00 0.00 H new ATOM 915 N SER A 61 1.040 -0.679 -9.516 1.00 0.00 N ATOM 916 CA SER A 61 1.626 -0.119 -10.726 1.00 0.00 C ATOM 917 C SER A 61 3.009 0.464 -10.450 1.00 0.00 C ATOM 918 O SER A 61 3.997 0.041 -11.050 1.00 0.00 O ATOM 919 CB SER A 61 0.719 0.961 -11.309 1.00 0.00 C ATOM 920 OG SER A 61 -0.575 0.452 -11.581 1.00 0.00 O ATOM 0 H SER A 61 0.184 -0.217 -9.210 1.00 0.00 H new ATOM 0 HA SER A 61 1.730 -0.928 -11.449 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.645 1.794 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.159 1.353 -12.226 1.00 0.00 H new ATOM 0 HG SER A 61 -1.068 0.344 -10.741 1.00 0.00 H new ATOM 926 N HIS A 62 3.081 1.438 -9.541 1.00 0.00 N ATOM 927 CA HIS A 62 4.355 2.066 -9.202 1.00 0.00 C ATOM 928 C HIS A 62 5.403 1.008 -8.873 1.00 0.00 C ATOM 929 O HIS A 62 6.511 1.028 -9.410 1.00 0.00 O ATOM 930 CB HIS A 62 4.184 3.031 -8.029 1.00 0.00 C ATOM 931 CG HIS A 62 4.353 4.467 -8.417 1.00 0.00 C ATOM 932 ND1 HIS A 62 5.456 5.159 -8.789 1.00 0.00 N flip ATOM 933 CD2 HIS A 62 3.307 5.364 -8.462 1.00 0.00 C flip ATOM 934 CE1 HIS A 62 5.058 6.447 -9.050 1.00 0.00 C flip ATOM 935 NE2 HIS A 62 3.758 6.545 -8.846 1.00 0.00 N flip ATOM 0 H HIS A 62 2.278 1.805 -9.031 1.00 0.00 H new ATOM 0 HA HIS A 62 4.697 2.633 -10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.194 2.893 -7.595 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.909 2.783 -7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.279 5.137 -8.221 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.705 7.250 -9.371 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.197 7.389 -8.965 1.00 0.00 H new ATOM 944 N VAL A 63 5.036 0.073 -8.005 1.00 0.00 N ATOM 945 CA VAL A 63 5.932 -1.009 -7.624 1.00 0.00 C ATOM 946 C VAL A 63 6.353 -1.795 -8.864 1.00 0.00 C ATOM 947 O VAL A 63 7.515 -1.766 -9.269 1.00 0.00 O ATOM 948 CB VAL A 63 5.253 -1.943 -6.610 1.00 0.00 C ATOM 949 CG1 VAL A 63 6.079 -3.188 -6.335 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.950 -1.198 -5.320 1.00 0.00 C ATOM 0 H VAL A 63 4.123 0.043 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 63 6.817 -0.580 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 63 4.314 -2.276 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.559 -3.817 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.222 -3.742 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.050 -2.899 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.469 -1.875 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.879 -0.823 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.284 -0.361 -5.531 1.00 0.00 H new ATOM 960 N ALA A 64 5.382 -2.471 -9.473 1.00 0.00 N ATOM 961 CA ALA A 64 5.605 -3.253 -10.689 1.00 0.00 C ATOM 962 C ALA A 64 6.967 -3.957 -10.703 1.00 0.00 C ATOM 963 O ALA A 64 7.555 -4.135 -11.769 1.00 0.00 O ATOM 964 CB ALA A 64 5.476 -2.353 -11.909 1.00 0.00 C ATOM 0 H ALA A 64 4.419 -2.493 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 64 4.844 -4.033 -10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.643 -2.939 -12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.476 -1.919 -11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.216 -1.555 -11.852 1.00 0.00 H new ATOM 970 N ASN A 65 7.459 -4.355 -9.523 1.00 0.00 N ATOM 971 CA ASN A 65 8.758 -5.042 -9.398 1.00 0.00 C ATOM 972 C ASN A 65 9.347 -4.839 -7.999 1.00 0.00 C ATOM 973 O ASN A 65 9.259 -5.722 -7.146 1.00 0.00 O ATOM 974 CB ASN A 65 9.758 -4.548 -10.457 1.00 0.00 C ATOM 975 CG ASN A 65 11.182 -4.996 -10.180 1.00 0.00 C ATOM 976 OD1 ASN A 65 12.067 -4.176 -9.934 1.00 0.00 O ATOM 977 ND2 ASN A 65 11.409 -6.304 -10.220 1.00 0.00 N ATOM 0 H ASN A 65 6.977 -4.214 -8.635 1.00 0.00 H new ATOM 0 HA ASN A 65 8.580 -6.105 -9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.452 -4.914 -11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.727 -3.459 -10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.347 -6.665 -10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.646 -6.948 -10.428 1.00 0.00 H new ATOM 984 N VAL A 66 9.949 -3.668 -7.779 1.00 0.00 N ATOM 985 CA VAL A 66 10.553 -3.327 -6.489 1.00 0.00 C ATOM 986 C VAL A 66 11.422 -4.464 -5.944 1.00 0.00 C ATOM 987 O VAL A 66 11.919 -5.291 -6.709 1.00 0.00 O ATOM 988 CB VAL A 66 9.466 -2.934 -5.471 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.611 -1.825 -6.048 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.623 -4.137 -5.073 1.00 0.00 C ATOM 0 H VAL A 66 10.031 -2.935 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 66 11.208 -2.471 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 66 9.946 -2.569 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.842 -1.547 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.236 -0.959 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.139 -2.171 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.865 -3.828 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.138 -4.550 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.262 -4.896 -4.622 1.00 0.00 H new ATOM 1000 N VAL A 67 11.614 -4.501 -4.625 1.00 0.00 N ATOM 1001 CA VAL A 67 12.435 -5.538 -4.007 1.00 0.00 C ATOM 1002 C VAL A 67 12.356 -5.464 -2.486 1.00 0.00 C ATOM 1003 O VAL A 67 13.354 -5.253 -1.797 1.00 0.00 O ATOM 1004 CB VAL A 67 13.907 -5.447 -4.465 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.624 -4.267 -3.822 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.630 -6.750 -4.162 1.00 0.00 C ATOM 0 H VAL A 67 11.215 -3.829 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 67 12.037 -6.499 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 67 13.915 -5.281 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.657 -4.236 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.121 -3.341 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.608 -4.379 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.667 -6.675 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.601 -6.942 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.141 -7.569 -4.690 1.00 0.00 H new ATOM 1016 N LEU A 68 11.150 -5.637 -1.979 1.00 0.00 N ATOM 1017 CA LEU A 68 10.888 -5.589 -0.547 1.00 0.00 C ATOM 1018 C LEU A 68 11.948 -6.325 0.264 1.00 0.00 C ATOM 1019 O LEU A 68 11.898 -7.546 0.406 1.00 0.00 O ATOM 1020 CB LEU A 68 9.510 -6.186 -0.263 1.00 0.00 C ATOM 1021 CG LEU A 68 8.400 -5.713 -1.206 1.00 0.00 C ATOM 1022 CD1 LEU A 68 7.751 -6.896 -1.911 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.362 -4.900 -0.450 1.00 0.00 C ATOM 0 H LEU A 68 10.321 -5.815 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 68 10.918 -4.543 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.580 -7.272 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.227 -5.941 0.761 1.00 0.00 H new ATOM 0 HG LEU A 68 8.848 -5.071 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.965 -6.537 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.503 -7.430 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.320 -7.569 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.583 -4.574 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.919 -5.514 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.838 -4.028 -0.002 1.00 0.00 H new ATOM 1035 N THR A 69 12.893 -5.570 0.816 1.00 0.00 N ATOM 1036 CA THR A 69 13.947 -6.152 1.634 1.00 0.00 C ATOM 1037 C THR A 69 13.334 -6.861 2.836 1.00 0.00 C ATOM 1038 O THR A 69 12.116 -6.845 3.012 1.00 0.00 O ATOM 1039 CB THR A 69 14.922 -5.070 2.102 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.251 -4.090 2.874 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.619 -4.360 0.962 1.00 0.00 C ATOM 0 H THR A 69 12.949 -4.557 0.711 1.00 0.00 H new ATOM 0 HA THR A 69 14.498 -6.876 1.034 1.00 0.00 H new ATOM 0 HB THR A 69 15.672 -5.593 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.454 -4.226 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.296 -3.606 1.363 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.187 -5.083 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.877 -3.880 0.325 1.00 0.00 H new ATOM 1049 N GLN A 70 14.171 -7.480 3.661 1.00 0.00 N ATOM 1050 CA GLN A 70 13.688 -8.191 4.844 1.00 0.00 C ATOM 1051 C GLN A 70 12.651 -7.357 5.598 1.00 0.00 C ATOM 1052 O GLN A 70 11.719 -7.896 6.202 1.00 0.00 O ATOM 1053 CB GLN A 70 14.858 -8.542 5.769 1.00 0.00 C ATOM 1054 CG GLN A 70 15.446 -7.346 6.504 1.00 0.00 C ATOM 1055 CD GLN A 70 15.889 -6.240 5.566 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.343 -5.137 5.589 1.00 0.00 O ATOM 1057 NE2 GLN A 70 16.882 -6.530 4.735 1.00 0.00 N ATOM 0 H GLN A 70 15.183 -7.505 3.535 1.00 0.00 H new ATOM 0 HA GLN A 70 13.210 -9.113 4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.521 -9.276 6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.644 -9.016 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.704 -6.952 7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.298 -7.674 7.100 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.305 -7.458 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.222 -5.825 4.081 1.00 0.00 H new ATOM 1066 N GLU A 71 12.815 -6.038 5.542 1.00 0.00 N ATOM 1067 CA GLU A 71 11.899 -5.124 6.207 1.00 0.00 C ATOM 1068 C GLU A 71 10.538 -5.143 5.525 1.00 0.00 C ATOM 1069 O GLU A 71 9.541 -5.553 6.121 1.00 0.00 O ATOM 1070 CB GLU A 71 12.470 -3.705 6.207 1.00 0.00 C ATOM 1071 CG GLU A 71 12.285 -2.976 7.528 1.00 0.00 C ATOM 1072 CD GLU A 71 11.034 -2.120 7.551 1.00 0.00 C ATOM 1073 OE1 GLU A 71 9.965 -2.642 7.934 1.00 0.00 O ATOM 1074 OE2 GLU A 71 11.123 -0.929 7.188 1.00 0.00 O ATOM 0 H GLU A 71 13.576 -5.580 5.041 1.00 0.00 H new ATOM 0 HA GLU A 71 11.775 -5.451 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.533 -3.750 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.992 -3.130 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.237 -3.705 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.155 -2.347 7.717 1.00 0.00 H new ATOM 1081 N ASP A 72 10.501 -4.707 4.270 1.00 0.00 N ATOM 1082 CA ASP A 72 9.257 -4.687 3.515 1.00 0.00 C ATOM 1083 C ASP A 72 8.690 -6.100 3.387 1.00 0.00 C ATOM 1084 O ASP A 72 7.478 -6.286 3.286 1.00 0.00 O ATOM 1085 CB ASP A 72 9.468 -4.069 2.138 1.00 0.00 C ATOM 1086 CG ASP A 72 9.821 -2.597 2.210 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.091 -1.843 2.887 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.829 -2.197 1.589 1.00 0.00 O ATOM 0 H ASP A 72 11.314 -4.365 3.758 1.00 0.00 H new ATOM 0 HA ASP A 72 8.538 -4.071 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.264 -4.605 1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.562 -4.193 1.545 1.00 0.00 H new ATOM 1093 N THR A 73 9.570 -7.100 3.415 1.00 0.00 N ATOM 1094 CA THR A 73 9.134 -8.491 3.333 1.00 0.00 C ATOM 1095 C THR A 73 8.265 -8.811 4.537 1.00 0.00 C ATOM 1096 O THR A 73 7.078 -9.112 4.397 1.00 0.00 O ATOM 1097 CB THR A 73 10.333 -9.437 3.278 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.260 -9.019 2.293 1.00 0.00 O ATOM 1099 CG2 THR A 73 9.947 -10.865 2.964 1.00 0.00 C ATOM 0 H THR A 73 10.579 -6.974 3.493 1.00 0.00 H new ATOM 0 HA THR A 73 8.559 -8.630 2.418 1.00 0.00 H new ATOM 0 HB THR A 73 10.775 -9.403 4.274 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.167 -8.055 2.144 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.842 -11.487 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.269 -11.236 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.452 -10.903 1.994 1.00 0.00 H new ATOM 1107 N ALA A 74 8.848 -8.697 5.729 1.00 0.00 N ATOM 1108 CA ALA A 74 8.096 -8.929 6.955 1.00 0.00 C ATOM 1109 C ALA A 74 6.908 -7.973 6.996 1.00 0.00 C ATOM 1110 O ALA A 74 5.876 -8.254 7.606 1.00 0.00 O ATOM 1111 CB ALA A 74 8.985 -8.735 8.174 1.00 0.00 C ATOM 0 H ALA A 74 9.827 -8.448 5.869 1.00 0.00 H new ATOM 0 HA ALA A 74 7.734 -9.957 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.405 -8.913 9.079 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.817 -9.437 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.371 -7.716 8.185 1.00 0.00 H new ATOM 1117 N LYS A 75 7.075 -6.845 6.307 1.00 0.00 N ATOM 1118 CA LYS A 75 6.047 -5.819 6.203 1.00 0.00 C ATOM 1119 C LYS A 75 4.766 -6.415 5.621 1.00 0.00 C ATOM 1120 O LYS A 75 3.734 -6.479 6.296 1.00 0.00 O ATOM 1121 CB LYS A 75 6.570 -4.698 5.306 1.00 0.00 C ATOM 1122 CG LYS A 75 6.062 -3.314 5.650 1.00 0.00 C ATOM 1123 CD LYS A 75 6.977 -2.608 6.632 1.00 0.00 C ATOM 1124 CE LYS A 75 8.168 -1.977 5.930 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.615 -0.729 6.607 1.00 0.00 N ATOM 0 H LYS A 75 7.933 -6.619 5.804 1.00 0.00 H new ATOM 0 HA LYS A 75 5.816 -5.421 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.659 -4.692 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.299 -4.922 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.978 -2.721 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.061 -3.389 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.417 -1.838 7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.329 -3.320 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.992 -2.690 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.904 -1.754 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.651 -0.658 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.188 0.094 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.319 -0.749 7.604 1.00 0.00 H new ATOM 1139 N LEU A 76 4.843 -6.874 4.369 1.00 0.00 N ATOM 1140 CA LEU A 76 3.692 -7.488 3.717 1.00 0.00 C ATOM 1141 C LEU A 76 3.221 -8.676 4.538 1.00 0.00 C ATOM 1142 O LEU A 76 2.025 -8.916 4.686 1.00 0.00 O ATOM 1143 CB LEU A 76 4.037 -7.963 2.305 1.00 0.00 C ATOM 1144 CG LEU A 76 3.813 -6.931 1.202 1.00 0.00 C ATOM 1145 CD1 LEU A 76 4.993 -6.915 0.244 1.00 0.00 C ATOM 1146 CD2 LEU A 76 2.517 -7.223 0.456 1.00 0.00 C ATOM 0 H LEU A 76 5.684 -6.831 3.794 1.00 0.00 H new ATOM 0 HA LEU A 76 2.905 -6.738 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.083 -8.270 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.441 -8.848 2.080 1.00 0.00 H new ATOM 0 HG LEU A 76 3.730 -5.945 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.818 -6.174 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.901 -6.660 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.107 -7.900 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.372 -6.478 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.571 -8.215 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.680 -7.185 1.153 1.00 0.00 H new ATOM 1158 N LEU A 77 4.189 -9.416 5.071 1.00 0.00 N ATOM 1159 CA LEU A 77 3.905 -10.587 5.888 1.00 0.00 C ATOM 1160 C LEU A 77 2.941 -10.241 7.010 1.00 0.00 C ATOM 1161 O LEU A 77 2.002 -10.984 7.288 1.00 0.00 O ATOM 1162 CB LEU A 77 5.202 -11.148 6.471 1.00 0.00 C ATOM 1163 CG LEU A 77 5.573 -12.538 5.967 1.00 0.00 C ATOM 1164 CD1 LEU A 77 7.052 -12.608 5.616 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.216 -13.597 7.000 1.00 0.00 C ATOM 0 H LEU A 77 5.183 -9.222 4.949 1.00 0.00 H new ATOM 0 HA LEU A 77 3.441 -11.342 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.016 -10.462 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.113 -11.181 7.557 1.00 0.00 H new ATOM 0 HG LEU A 77 4.999 -12.736 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.294 -13.609 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.276 -11.880 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.647 -12.385 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.489 -14.582 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.759 -13.401 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.144 -13.568 7.196 1.00 0.00 H new ATOM 1177 N GLN A 78 3.179 -9.109 7.652 1.00 0.00 N ATOM 1178 CA GLN A 78 2.327 -8.675 8.741 1.00 0.00 C ATOM 1179 C GLN A 78 0.971 -8.222 8.213 1.00 0.00 C ATOM 1180 O GLN A 78 -0.073 -8.656 8.702 1.00 0.00 O ATOM 1181 CB GLN A 78 2.993 -7.542 9.525 1.00 0.00 C ATOM 1182 CG GLN A 78 4.011 -8.025 10.545 1.00 0.00 C ATOM 1183 CD GLN A 78 3.749 -7.479 11.935 1.00 0.00 C ATOM 1184 OE1 GLN A 78 3.876 -8.193 12.930 1.00 0.00 O ATOM 1185 NE2 GLN A 78 3.381 -6.205 12.011 1.00 0.00 N ATOM 0 H GLN A 78 3.952 -8.478 7.438 1.00 0.00 H new ATOM 0 HA GLN A 78 2.174 -9.520 9.412 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.485 -6.867 8.825 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.223 -6.965 10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.997 -9.114 10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.010 -7.728 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.288 -5.649 11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.191 -5.782 12.920 1.00 0.00 H new ATOM 1194 N SER A 79 0.994 -7.348 7.213 1.00 0.00 N ATOM 1195 CA SER A 79 -0.238 -6.835 6.620 1.00 0.00 C ATOM 1196 C SER A 79 -1.064 -7.951 5.984 1.00 0.00 C ATOM 1197 O SER A 79 -2.283 -7.836 5.863 1.00 0.00 O ATOM 1198 CB SER A 79 0.081 -5.775 5.567 1.00 0.00 C ATOM 1199 OG SER A 79 1.007 -6.267 4.615 1.00 0.00 O ATOM 0 H SER A 79 1.849 -6.980 6.796 1.00 0.00 H new ATOM 0 HA SER A 79 -0.825 -6.389 7.423 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.836 -5.470 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.489 -4.888 6.051 1.00 0.00 H new ATOM 0 HG SER A 79 0.554 -6.398 3.756 1.00 0.00 H new ATOM 1205 N THR A 80 -0.398 -9.022 5.563 1.00 0.00 N ATOM 1206 CA THR A 80 -1.084 -10.140 4.923 1.00 0.00 C ATOM 1207 C THR A 80 -1.422 -11.248 5.919 1.00 0.00 C ATOM 1208 O THR A 80 -2.422 -11.949 5.761 1.00 0.00 O ATOM 1209 CB THR A 80 -0.234 -10.701 3.779 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.985 -11.614 2.999 1.00 0.00 O ATOM 1211 CG2 THR A 80 1.014 -11.418 4.247 1.00 0.00 C ATOM 0 H THR A 80 0.611 -9.139 5.653 1.00 0.00 H new ATOM 0 HA THR A 80 -2.023 -9.760 4.522 1.00 0.00 H new ATOM 0 HB THR A 80 0.067 -9.832 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.426 -11.961 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.566 -11.788 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.641 -10.727 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.734 -12.256 4.886 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.269 -10.889 0.419 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.371 -10.813 -1.036 1.00 0.00 C ATOM 1324 C ASN A 87 -3.043 -10.406 -1.684 1.00 0.00 C ATOM 1325 O ASN A 87 -2.998 -10.139 -2.885 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.455 -9.807 -1.427 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.017 -8.367 -1.219 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -5.630 -7.447 -1.956 1.00 0.00 O flip ATOM 1329 ND2 ASN A 87 -4.136 -8.086 -0.406 1.00 0.00 N flip ATOM 0 HA ASN A 87 -4.631 -11.807 -1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.722 -9.954 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.353 -9.999 -0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.691 -8.824 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.851 -7.115 -0.278 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.966 -10.339 -0.901 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.679 -9.944 -1.441 1.00 0.00 C ATOM 1338 C TYR A 88 0.226 -11.149 -1.643 1.00 0.00 C ATOM 1339 O TYR A 88 0.366 -11.992 -0.756 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.018 -8.914 -0.523 1.00 0.00 C ATOM 1341 CG TYR A 88 -1.008 -7.945 0.087 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.438 -6.827 -0.617 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -1.521 -8.156 1.361 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.350 -5.946 -0.068 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -2.436 -7.281 1.916 1.00 0.00 C ATOM 1346 CZ TYR A 88 -2.847 -6.178 1.197 1.00 0.00 C ATOM 1347 OH TYR A 88 -3.756 -5.304 1.746 1.00 0.00 O ATOM 0 H TYR A 88 -1.965 -10.552 0.097 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.842 -9.488 -2.418 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.512 -9.434 0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.727 -8.355 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.053 -6.644 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.200 -9.018 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.672 -5.080 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.827 -7.460 2.907 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.665 -5.607 1.543 1.00 0.00 H new ATOM 1357 N ASP A 89 0.830 -11.229 -2.824 1.00 0.00 N ATOM 1358 CA ASP A 89 1.704 -12.315 -3.164 1.00 0.00 C ATOM 1359 C ASP A 89 3.146 -11.793 -3.214 1.00 0.00 C ATOM 1360 O ASP A 89 3.397 -10.640 -3.583 1.00 0.00 O ATOM 1361 CB ASP A 89 1.206 -12.890 -4.493 1.00 0.00 C ATOM 1362 CG ASP A 89 2.293 -13.493 -5.361 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.310 -13.961 -4.807 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.119 -13.511 -6.597 1.00 0.00 O ATOM 0 H ASP A 89 0.719 -10.536 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 89 1.698 -13.117 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.457 -13.655 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.708 -12.099 -5.053 1.00 0.00 H new ATOM 1369 N LEU A 90 4.085 -12.617 -2.794 1.00 0.00 N ATOM 1370 CA LEU A 90 5.482 -12.190 -2.747 1.00 0.00 C ATOM 1371 C LEU A 90 6.454 -13.231 -3.301 1.00 0.00 C ATOM 1372 O LEU A 90 6.161 -14.426 -3.347 1.00 0.00 O ATOM 1373 CB LEU A 90 5.873 -11.866 -1.299 1.00 0.00 C ATOM 1374 CG LEU A 90 5.391 -10.513 -0.761 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.581 -10.444 0.748 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.134 -9.373 -1.444 1.00 0.00 C ATOM 0 H LEU A 90 3.917 -13.574 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 90 5.557 -11.308 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.482 -12.652 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.960 -11.900 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 90 4.328 -10.412 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.234 -9.478 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.008 -11.240 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.637 -10.565 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.780 -8.420 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.203 -9.469 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.952 -9.412 -2.518 1.00 0.00 H new ATOM 1388 N ARG A 91 7.632 -12.742 -3.684 1.00 0.00 N ATOM 1389 CA ARG A 91 8.713 -13.578 -4.203 1.00 0.00 C ATOM 1390 C ARG A 91 10.013 -13.160 -3.522 1.00 0.00 C ATOM 1391 O ARG A 91 10.078 -12.081 -2.964 1.00 0.00 O ATOM 1392 CB ARG A 91 8.831 -13.428 -5.723 1.00 0.00 C ATOM 1393 CG ARG A 91 8.902 -14.754 -6.464 1.00 0.00 C ATOM 1394 CD ARG A 91 8.292 -14.649 -7.853 1.00 0.00 C ATOM 1395 NE ARG A 91 7.319 -15.709 -8.107 1.00 0.00 N ATOM 1396 CZ ARG A 91 6.437 -15.681 -9.104 1.00 0.00 C ATOM 1397 NH1 ARG A 91 6.406 -14.653 -9.943 1.00 0.00 N ATOM 1398 NH2 ARG A 91 5.584 -16.684 -9.262 1.00 0.00 N ATOM 0 H ARG A 91 7.865 -11.750 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 91 8.503 -14.626 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.975 -12.862 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.722 -12.845 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.942 -15.072 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.378 -15.520 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.808 -13.679 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.084 -14.697 -8.601 1.00 0.00 H new ATOM 0 HE ARG A 91 7.315 -16.517 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.060 -13.879 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.728 -14.637 -10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.604 -17.476 -8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.908 -16.663 -10.026 1.00 0.00 H new ATOM 1412 N SER A 92 11.036 -14.004 -3.547 1.00 0.00 N ATOM 1413 CA SER A 92 12.304 -13.676 -2.891 1.00 0.00 C ATOM 1414 C SER A 92 13.383 -13.268 -3.873 1.00 0.00 C ATOM 1415 O SER A 92 13.331 -13.582 -5.061 1.00 0.00 O ATOM 1416 CB SER A 92 12.794 -14.852 -2.049 1.00 0.00 C ATOM 1417 OG SER A 92 12.775 -16.058 -2.793 1.00 0.00 O ATOM 0 H SER A 92 11.018 -14.913 -4.009 1.00 0.00 H new ATOM 0 HA SER A 92 12.106 -12.819 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.807 -14.654 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.165 -14.957 -1.165 1.00 0.00 H new ATOM 0 HG SER A 92 13.095 -16.794 -2.231 1.00 0.00 H new ATOM 1423 N VAL A 93 14.354 -12.542 -3.333 1.00 0.00 N ATOM 1424 CA VAL A 93 15.474 -12.026 -4.067 1.00 0.00 C ATOM 1425 C VAL A 93 16.198 -11.028 -3.182 1.00 0.00 C ATOM 1426 O VAL A 93 15.615 -10.409 -2.301 1.00 0.00 O ATOM 1427 CB VAL A 93 15.063 -11.326 -5.384 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.125 -12.299 -6.553 1.00 0.00 C ATOM 1429 CG2 VAL A 93 13.677 -10.704 -5.268 1.00 0.00 C ATOM 0 H VAL A 93 14.373 -12.296 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 93 16.112 -12.867 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 93 15.774 -10.521 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.832 -11.786 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 93 16.142 -12.677 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.445 -13.131 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.416 -10.219 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.947 -11.482 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.676 -9.965 -4.467 1.00 0.00 H new ATOM 1467 N ASN A 97 15.647 -10.015 0.376 1.00 0.00 N ATOM 1468 CA ASN A 97 14.636 -9.133 -0.179 1.00 0.00 C ATOM 1469 C ASN A 97 13.612 -9.945 -0.955 1.00 0.00 C ATOM 1470 O ASN A 97 13.829 -11.122 -1.239 1.00 0.00 O ATOM 1471 CB ASN A 97 15.237 -8.040 -1.071 1.00 0.00 C ATOM 1472 CG ASN A 97 16.656 -7.662 -0.680 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.352 -6.969 -1.574 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.120 -7.982 0.415 1.00 0.00 N flip ATOM 0 HA ASN A 97 14.149 -8.629 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.231 -8.381 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.605 -7.153 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.552 -8.515 1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.072 -7.714 0.663 1.00 0.00 H new ATOM 1481 N SER A 98 12.494 -9.332 -1.290 1.00 0.00 N ATOM 1482 CA SER A 98 11.463 -10.029 -2.034 1.00 0.00 C ATOM 1483 C SER A 98 10.840 -9.120 -3.078 1.00 0.00 C ATOM 1484 O SER A 98 11.005 -7.904 -3.042 1.00 0.00 O ATOM 1485 CB SER A 98 10.391 -10.572 -1.090 1.00 0.00 C ATOM 1486 OG SER A 98 9.084 -10.342 -1.593 1.00 0.00 O ATOM 0 H SER A 98 12.277 -8.362 -1.062 1.00 0.00 H new ATOM 0 HA SER A 98 11.928 -10.870 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.542 -11.642 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.493 -10.100 -0.113 1.00 0.00 H new ATOM 0 HG SER A 98 8.840 -11.062 -2.211 1.00 0.00 H new ATOM 1492 N VAL A 99 10.118 -9.728 -3.997 1.00 0.00 N ATOM 1493 CA VAL A 99 9.452 -9.000 -5.054 1.00 0.00 C ATOM 1494 C VAL A 99 7.970 -8.924 -4.739 1.00 0.00 C ATOM 1495 O VAL A 99 7.436 -9.810 -4.066 1.00 0.00 O ATOM 1496 CB VAL A 99 9.687 -9.694 -6.412 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.405 -10.301 -6.970 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.309 -8.727 -7.409 1.00 0.00 C ATOM 0 H VAL A 99 9.977 -10.738 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 99 9.859 -7.991 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 99 10.385 -10.514 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.615 -10.779 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.019 -11.043 -6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.663 -9.516 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.467 -9.236 -8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.641 -7.878 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.265 -8.373 -7.024 1.00 0.00 H new ATOM 1508 N LEU A 100 7.304 -7.871 -5.193 1.00 0.00 N ATOM 1509 CA LEU A 100 5.893 -7.726 -4.896 1.00 0.00 C ATOM 1510 C LEU A 100 4.995 -8.060 -6.066 1.00 0.00 C ATOM 1511 O LEU A 100 4.809 -7.262 -6.985 1.00 0.00 O ATOM 1512 CB LEU A 100 5.560 -6.334 -4.399 1.00 0.00 C ATOM 1513 CG LEU A 100 4.069 -5.983 -4.404 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.437 -6.351 -3.075 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.862 -4.511 -4.721 1.00 0.00 C ATOM 0 H LEU A 100 7.709 -7.123 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 100 5.699 -8.452 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.939 -6.227 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.091 -5.608 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 100 3.579 -6.562 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.377 -6.096 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.550 -7.421 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.929 -5.800 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.796 -4.285 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.363 -3.903 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.278 -4.288 -5.703 1.00 0.00 H new ATOM 1527 N VAL A 101 4.363 -9.206 -5.954 1.00 0.00 N ATOM 1528 CA VAL A 101 3.380 -9.638 -6.914 1.00 0.00 C ATOM 1529 C VAL A 101 2.127 -9.842 -6.089 1.00 0.00 C ATOM 1530 O VAL A 101 2.045 -10.754 -5.281 1.00 0.00 O ATOM 1531 CB VAL A 101 3.799 -10.930 -7.650 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.414 -11.930 -6.685 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.619 -11.538 -8.397 1.00 0.00 C ATOM 0 H VAL A 101 4.519 -9.865 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 101 3.243 -8.909 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 101 4.559 -10.668 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.700 -12.831 -7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.296 -11.491 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.687 -12.187 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.940 -12.446 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.826 -11.780 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.245 -10.823 -9.130 1.00 0.00 H new ATOM 1543 N SER A 102 1.196 -8.927 -6.180 1.00 0.00 N ATOM 1544 CA SER A 102 0.049 -9.014 -5.312 1.00 0.00 C ATOM 1545 C SER A 102 -1.209 -8.445 -5.902 1.00 0.00 C ATOM 1546 O SER A 102 -1.180 -7.606 -6.802 1.00 0.00 O ATOM 1547 CB SER A 102 0.374 -8.243 -4.026 1.00 0.00 C ATOM 1548 OG SER A 102 -0.740 -7.492 -3.567 1.00 0.00 O ATOM 0 H SER A 102 1.205 -8.136 -6.825 1.00 0.00 H new ATOM 0 HA SER A 102 -0.142 -10.073 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.685 -8.943 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.215 -7.573 -4.206 1.00 0.00 H new ATOM 0 HG SER A 102 -0.504 -6.541 -3.539 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.311 -8.864 -5.299 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.614 -8.366 -5.643 1.00 0.00 C ATOM 1556 C LEU A 103 -4.724 -9.219 -5.069 1.00 0.00 C ATOM 1557 O LEU A 103 -5.429 -8.783 -4.162 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.790 -8.124 -7.148 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.886 -6.639 -7.560 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.332 -6.236 -7.781 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.259 -5.720 -6.513 1.00 0.00 C ATOM 0 H LEU A 103 -2.316 -9.562 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.690 -7.386 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.951 -8.579 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.692 -8.638 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.331 -6.530 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.377 -5.186 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.764 -6.849 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.895 -6.383 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.346 -4.684 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.776 -5.846 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.206 -5.974 -6.390 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.875 -10.423 -5.585 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.914 -11.339 -5.099 1.00 0.00 C ATOM 1575 C ARG A 104 -7.167 -10.556 -4.705 1.00 0.00 C ATOM 1576 O ARG A 104 -7.617 -10.612 -3.561 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.388 -12.118 -3.895 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.892 -13.513 -4.234 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.607 -13.472 -5.046 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.441 -13.824 -4.239 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.258 -15.018 -3.679 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.148 -15.987 -3.857 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.180 -15.247 -2.942 1.00 0.00 N ATOM 0 H ARG A 104 -4.299 -10.798 -6.338 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.173 -12.037 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.575 -11.555 -3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.180 -12.196 -3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.723 -14.073 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.660 -14.046 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.687 -14.160 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.472 -12.474 -5.462 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.724 -13.112 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.978 -15.819 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.002 -16.899 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.490 -14.508 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.040 -16.162 -2.513 1.00 0.00 H new ATOM 1597 N SER A 105 -7.673 -9.792 -5.668 1.00 0.00 N ATOM 1598 CA SER A 105 -8.842 -8.917 -5.493 1.00 0.00 C ATOM 1599 C SER A 105 -8.359 -7.473 -5.411 1.00 0.00 C ATOM 1600 O SER A 105 -7.158 -7.233 -5.296 1.00 0.00 O ATOM 1601 CB SER A 105 -9.660 -9.280 -4.251 1.00 0.00 C ATOM 1602 OG SER A 105 -9.931 -10.671 -4.204 1.00 0.00 O ATOM 0 H SER A 105 -7.281 -9.758 -6.609 1.00 0.00 H new ATOM 0 HA SER A 105 -9.504 -9.049 -6.349 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.116 -8.982 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.598 -8.724 -4.255 1.00 0.00 H new ATOM 0 HG SER A 105 -9.297 -11.108 -3.598 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.269 -6.505 -5.497 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.855 -5.105 -5.456 1.00 0.00 C ATOM 1610 C ASP A 106 -9.160 -4.440 -4.115 1.00 0.00 C ATOM 1611 O ASP A 106 -10.291 -4.040 -3.844 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.547 -4.338 -6.582 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.634 -4.111 -7.771 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.964 -5.075 -8.197 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.590 -2.970 -8.276 1.00 0.00 O ATOM 0 H ASP A 106 -10.273 -6.658 -5.593 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.773 -5.080 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.430 -4.890 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.893 -3.376 -6.204 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.118 -4.296 -3.301 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.221 -3.644 -2.001 1.00 0.00 C ATOM 1622 C GLN A 107 -6.827 -3.387 -1.439 1.00 0.00 C ATOM 1623 O GLN A 107 -5.849 -3.968 -1.909 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.040 -4.488 -1.032 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.377 -3.860 -0.651 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.215 -4.742 0.263 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.440 -4.661 0.269 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -10.561 -5.590 1.047 1.00 0.00 N ATOM 0 H GLN A 107 -7.180 -4.628 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.733 -2.691 -2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.222 -5.465 -1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.456 -4.656 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.195 -2.905 -0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.943 -3.647 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.542 -5.631 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.077 -6.201 1.680 1.00 0.00 H new ATOM 1637 N MET A 108 -6.733 -2.541 -0.423 1.00 0.00 N ATOM 1638 CA MET A 108 -5.442 -2.258 0.196 1.00 0.00 C ATOM 1639 C MET A 108 -5.587 -1.555 1.537 1.00 0.00 C ATOM 1640 O MET A 108 -6.450 -0.697 1.720 1.00 0.00 O ATOM 1641 CB MET A 108 -4.569 -1.405 -0.717 1.00 0.00 C ATOM 1642 CG MET A 108 -3.182 -1.158 -0.144 1.00 0.00 C ATOM 1643 SD MET A 108 -1.937 -0.923 -1.419 1.00 0.00 S ATOM 1644 CE MET A 108 -1.596 -2.624 -1.865 1.00 0.00 C ATOM 0 H MET A 108 -7.523 -2.043 -0.013 1.00 0.00 H new ATOM 0 HA MET A 108 -4.967 -3.225 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.475 -1.897 -1.685 1.00 0.00 H new ATOM 0 HB3 MET A 108 -5.061 -0.448 -0.892 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.210 -0.277 0.498 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.898 -2.002 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 108 -0.978 -2.648 -2.763 1.00 0.00 H new ATOM 0 HE2 MET A 108 -1.068 -3.116 -1.048 1.00 0.00 H new ATOM 0 HE3 MET A 108 -2.534 -3.145 -2.056 1.00 0.00 H new ATOM 1654 N THR A 109 -4.701 -1.911 2.455 1.00 0.00 N ATOM 1655 CA THR A 109 -4.672 -1.312 3.780 1.00 0.00 C ATOM 1656 C THR A 109 -3.505 -0.328 3.858 1.00 0.00 C ATOM 1657 O THR A 109 -2.622 -0.339 3.000 1.00 0.00 O ATOM 1658 CB THR A 109 -4.543 -2.388 4.874 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.286 -2.307 5.524 1.00 0.00 O ATOM 1660 CG2 THR A 109 -4.695 -3.806 4.359 1.00 0.00 C ATOM 0 H THR A 109 -3.984 -2.621 2.303 1.00 0.00 H new ATOM 0 HA THR A 109 -5.610 -0.783 3.950 1.00 0.00 H new ATOM 0 HB THR A 109 -5.361 -2.179 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.333 -1.646 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 109 -4.592 -4.507 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 109 -5.678 -3.924 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.924 -4.008 3.615 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.505 0.527 4.874 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.444 1.515 5.031 1.00 0.00 C ATOM 1670 C LEU A 110 -1.069 0.853 5.078 1.00 0.00 C ATOM 1671 O LEU A 110 -0.167 1.222 4.322 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.672 2.347 6.293 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.444 3.650 6.073 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -3.980 4.187 7.389 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.557 4.685 5.399 1.00 0.00 C ATOM 0 H LEU A 110 -4.223 0.557 5.598 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.472 2.173 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.212 1.739 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.704 2.585 6.734 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.291 3.439 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.525 5.113 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.650 3.453 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.150 4.381 8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.121 5.606 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.691 4.888 6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.222 4.304 4.434 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.909 -0.127 5.966 1.00 0.00 N ATOM 1688 CA GLN A 111 0.365 -0.828 6.094 1.00 0.00 C ATOM 1689 C GLN A 111 0.857 -1.303 4.730 1.00 0.00 C ATOM 1690 O GLN A 111 1.886 -0.841 4.235 1.00 0.00 O ATOM 1691 CB GLN A 111 0.237 -2.021 7.048 1.00 0.00 C ATOM 1692 CG GLN A 111 1.461 -2.931 7.059 1.00 0.00 C ATOM 1693 CD GLN A 111 2.637 -2.336 7.809 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.223 -1.282 7.254 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 3.015 -2.819 8.877 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.639 -0.450 6.601 1.00 0.00 H new ATOM 0 HA GLN A 111 1.092 -0.129 6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.062 -1.650 8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.638 -2.607 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.193 -3.885 7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.761 -3.140 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.536 -3.630 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.807 -2.408 9.370 1.00 0.00 H new ATOM 1704 N ASP A 112 0.111 -2.225 4.123 1.00 0.00 N ATOM 1705 CA ASP A 112 0.471 -2.761 2.813 1.00 0.00 C ATOM 1706 C ASP A 112 0.819 -1.640 1.845 1.00 0.00 C ATOM 1707 O ASP A 112 1.821 -1.704 1.131 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.673 -3.605 2.250 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.186 -4.934 1.709 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.177 -4.991 0.517 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -0.164 -5.916 2.479 1.00 0.00 O ATOM 0 H ASP A 112 -0.745 -2.615 4.517 1.00 0.00 H new ATOM 0 HA ASP A 112 1.350 -3.394 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.412 -3.781 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.174 -3.052 1.456 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.012 -0.605 1.834 1.00 0.00 N ATOM 1717 CA ALA A 113 0.209 0.536 0.961 1.00 0.00 C ATOM 1718 C ALA A 113 1.646 1.041 1.076 1.00 0.00 C ATOM 1719 O ALA A 113 2.398 1.036 0.098 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.774 1.648 1.292 1.00 0.00 C ATOM 0 H ALA A 113 -0.844 -0.534 2.420 1.00 0.00 H new ATOM 0 HA ALA A 113 0.045 0.217 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.599 2.497 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.793 1.286 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.636 1.959 2.327 1.00 0.00 H new ATOM 1726 N LYS A 114 2.025 1.472 2.279 1.00 0.00 N ATOM 1727 CA LYS A 114 3.374 1.978 2.511 1.00 0.00 C ATOM 1728 C LYS A 114 4.414 0.871 2.357 1.00 0.00 C ATOM 1729 O LYS A 114 5.571 1.141 2.041 1.00 0.00 O ATOM 1730 CB LYS A 114 3.474 2.652 3.893 1.00 0.00 C ATOM 1731 CG LYS A 114 4.068 1.790 5.005 1.00 0.00 C ATOM 1732 CD LYS A 114 3.034 1.441 6.063 1.00 0.00 C ATOM 1733 CE LYS A 114 2.342 2.664 6.617 1.00 0.00 C ATOM 1734 NZ LYS A 114 0.937 2.766 6.142 1.00 0.00 N ATOM 0 H LYS A 114 1.421 1.480 3.101 1.00 0.00 H new ATOM 0 HA LYS A 114 3.586 2.732 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.078 3.554 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.476 2.968 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.473 0.873 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.899 2.319 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.291 0.770 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.518 0.901 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.356 2.627 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.891 3.558 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.666 3.768 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.853 2.318 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.307 2.284 6.815 1.00 0.00 H new ATOM 1748 N VAL A 115 4.001 -0.377 2.569 1.00 0.00 N ATOM 1749 CA VAL A 115 4.916 -1.504 2.433 1.00 0.00 C ATOM 1750 C VAL A 115 5.503 -1.542 1.027 1.00 0.00 C ATOM 1751 O VAL A 115 6.716 -1.364 0.814 1.00 0.00 O ATOM 1752 CB VAL A 115 4.203 -2.847 2.697 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.120 -4.021 2.380 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.710 -2.931 4.127 1.00 0.00 C ATOM 0 H VAL A 115 3.049 -0.630 2.833 1.00 0.00 H new ATOM 0 HA VAL A 115 5.706 -1.367 3.171 1.00 0.00 H new ATOM 0 HB VAL A 115 3.338 -2.898 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.594 -4.956 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.413 -3.981 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.010 -3.968 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.212 -3.888 4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.556 -2.846 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.007 -2.120 4.318 1.00 0.00 H new ATOM 1764 N LEU A 116 4.622 -1.775 0.067 1.00 0.00 N ATOM 1765 CA LEU A 116 5.020 -1.853 -1.318 1.00 0.00 C ATOM 1766 C LEU A 116 5.587 -0.529 -1.786 1.00 0.00 C ATOM 1767 O LEU A 116 6.565 -0.506 -2.512 1.00 0.00 O ATOM 1768 CB LEU A 116 3.834 -2.236 -2.205 1.00 0.00 C ATOM 1769 CG LEU A 116 2.943 -3.392 -1.719 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.598 -4.200 -0.609 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.588 -2.863 -1.271 1.00 0.00 C ATOM 0 H LEU A 116 3.624 -1.913 0.229 1.00 0.00 H new ATOM 0 HA LEU A 116 5.788 -2.622 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.206 -1.354 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.219 -2.496 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 116 2.801 -4.068 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.929 -5.004 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.533 -4.626 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.801 -3.551 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.968 -3.692 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.726 -2.154 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.098 -2.364 -2.107 1.00 0.00 H new ATOM 1783 N LEU A 117 4.962 0.572 -1.374 1.00 0.00 N ATOM 1784 CA LEU A 117 5.430 1.894 -1.776 1.00 0.00 C ATOM 1785 C LEU A 117 6.756 2.228 -1.136 1.00 0.00 C ATOM 1786 O LEU A 117 7.523 3.036 -1.660 1.00 0.00 O ATOM 1787 CB LEU A 117 4.401 2.962 -1.445 1.00 0.00 C ATOM 1788 CG LEU A 117 3.586 3.414 -2.646 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.105 3.170 -2.406 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.851 4.880 -2.946 1.00 0.00 C ATOM 0 H LEU A 117 4.140 0.575 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 117 5.571 1.873 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.725 2.579 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.910 3.825 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 117 3.891 2.828 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.536 3.499 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.933 2.106 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.782 3.729 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.260 5.188 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.574 5.484 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.910 5.021 -3.163 1.00 0.00 H new ATOM 1802 N GLU A 118 7.052 1.571 -0.033 1.00 0.00 N ATOM 1803 CA GLU A 118 8.319 1.775 0.623 1.00 0.00 C ATOM 1804 C GLU A 118 9.357 1.167 -0.281 1.00 0.00 C ATOM 1805 O GLU A 118 10.343 1.805 -0.656 1.00 0.00 O ATOM 1806 CB GLU A 118 8.347 1.113 2.004 1.00 0.00 C ATOM 1807 CG GLU A 118 9.703 1.188 2.687 1.00 0.00 C ATOM 1808 CD GLU A 118 9.667 0.671 4.112 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.941 1.260 4.939 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.366 -0.324 4.400 1.00 0.00 O ATOM 0 H GLU A 118 6.436 0.898 0.422 1.00 0.00 H new ATOM 0 HA GLU A 118 8.505 2.836 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.602 1.589 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.058 0.067 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.427 0.610 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.049 2.222 2.688 1.00 0.00 H new ATOM 1817 N ALA A 119 9.078 -0.066 -0.684 1.00 0.00 N ATOM 1818 CA ALA A 119 9.950 -0.764 -1.601 1.00 0.00 C ATOM 1819 C ALA A 119 9.865 -0.135 -2.984 1.00 0.00 C ATOM 1820 O ALA A 119 10.819 -0.180 -3.756 1.00 0.00 O ATOM 1821 CB ALA A 119 9.598 -2.243 -1.658 1.00 0.00 C ATOM 0 H ALA A 119 8.258 -0.595 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 119 10.975 -0.677 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.267 -2.750 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.707 -2.681 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.568 -2.359 -1.995 1.00 0.00 H new ATOM 1827 N ALA A 120 8.712 0.453 -3.283 1.00 0.00 N ATOM 1828 CA ALA A 120 8.483 1.091 -4.566 1.00 0.00 C ATOM 1829 C ALA A 120 9.259 2.382 -4.686 1.00 0.00 C ATOM 1830 O ALA A 120 10.137 2.513 -5.538 1.00 0.00 O ATOM 1831 CB ALA A 120 7.000 1.347 -4.787 1.00 0.00 C ATOM 0 H ALA A 120 7.917 0.499 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 120 8.838 0.409 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.854 1.826 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.460 0.400 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.622 1.999 -3.999 1.00 0.00 H new ATOM 1837 N LEU A 121 8.932 3.342 -3.835 1.00 0.00 N ATOM 1838 CA LEU A 121 9.610 4.619 -3.869 1.00 0.00 C ATOM 1839 C LEU A 121 11.118 4.423 -3.721 1.00 0.00 C ATOM 1840 O LEU A 121 11.904 5.057 -4.417 1.00 0.00 O ATOM 1841 CB LEU A 121 9.046 5.563 -2.794 1.00 0.00 C ATOM 1842 CG LEU A 121 9.885 5.752 -1.527 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.113 7.229 -1.245 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.183 5.091 -0.367 1.00 0.00 C ATOM 0 H LEU A 121 8.208 3.259 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 121 9.431 5.088 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.893 6.542 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.064 5.192 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 121 10.861 5.289 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.711 7.339 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.639 7.683 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.153 7.726 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.775 5.222 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.202 5.546 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.064 4.027 -0.572 1.00 0.00 H new ATOM 1856 N ARG A 122 11.519 3.535 -2.813 1.00 0.00 N ATOM 1857 CA ARG A 122 12.935 3.273 -2.590 1.00 0.00 C ATOM 1858 C ARG A 122 13.595 2.593 -3.791 1.00 0.00 C ATOM 1859 O ARG A 122 14.743 2.890 -4.120 1.00 0.00 O ATOM 1860 CB ARG A 122 13.128 2.442 -1.326 1.00 0.00 C ATOM 1861 CG ARG A 122 13.521 1.019 -1.612 1.00 0.00 C ATOM 1862 CD ARG A 122 13.289 0.106 -0.421 1.00 0.00 C ATOM 1863 NE ARG A 122 14.219 0.382 0.671 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.456 -0.461 1.674 1.00 0.00 C ATOM 1865 NH1 ARG A 122 13.835 -1.633 1.728 1.00 0.00 N ATOM 1866 NH2 ARG A 122 15.317 -0.131 2.627 1.00 0.00 N ATOM 0 H ARG A 122 10.888 2.990 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 122 13.427 4.237 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.894 2.907 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.203 2.449 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 122 12.951 0.651 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.573 0.985 -1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.266 0.228 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.396 -0.932 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 122 14.716 1.273 0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.171 -1.893 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.021 -2.274 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 122 15.797 0.768 2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.499 -0.776 3.396 1.00 0.00 H new ATOM 1880 N GLN A 123 12.886 1.668 -4.425 1.00 0.00 N ATOM 1881 CA GLN A 123 13.443 0.947 -5.563 1.00 0.00 C ATOM 1882 C GLN A 123 13.440 1.779 -6.839 1.00 0.00 C ATOM 1883 O GLN A 123 14.349 1.653 -7.659 1.00 0.00 O ATOM 1884 CB GLN A 123 12.672 -0.352 -5.816 1.00 0.00 C ATOM 1885 CG GLN A 123 13.275 -1.570 -5.133 1.00 0.00 C ATOM 1886 CD GLN A 123 13.580 -1.334 -3.667 1.00 0.00 C ATOM 1887 OE1 GLN A 123 12.713 -1.492 -2.808 1.00 0.00 O ATOM 1888 NE2 GLN A 123 14.819 -0.958 -3.373 1.00 0.00 N ATOM 0 H GLN A 123 11.934 1.401 -4.174 1.00 0.00 H new ATOM 0 HA GLN A 123 14.478 0.722 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 123 11.645 -0.226 -5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.629 -0.534 -6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 123 12.586 -2.410 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.193 -1.852 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 123 15.506 -0.839 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 123 15.084 -0.788 -2.403 1.00 0.00 H new ATOM 1897 N GLU A 124 12.404 2.592 -7.045 1.00 0.00 N ATOM 1898 CA GLU A 124 12.330 3.368 -8.281 1.00 0.00 C ATOM 1899 C GLU A 124 12.860 4.798 -8.160 1.00 0.00 C ATOM 1900 O GLU A 124 13.897 5.125 -8.738 1.00 0.00 O ATOM 1901 CB GLU A 124 10.885 3.412 -8.781 1.00 0.00 C ATOM 1902 CG GLU A 124 10.147 2.090 -8.640 1.00 0.00 C ATOM 1903 CD GLU A 124 9.168 1.846 -9.771 1.00 0.00 C ATOM 1904 OE1 GLU A 124 8.280 2.699 -9.982 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.288 0.802 -10.446 1.00 0.00 O ATOM 0 H GLU A 124 11.629 2.728 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 124 12.979 2.855 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.343 4.181 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.882 3.709 -9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.871 1.276 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 124 9.611 2.077 -7.691 1.00 0.00 H new ATOM 1912 N SER A 125 12.146 5.659 -7.435 1.00 0.00 N ATOM 1913 CA SER A 125 12.576 7.051 -7.296 1.00 0.00 C ATOM 1914 C SER A 125 13.298 7.327 -5.986 1.00 0.00 C ATOM 1915 O SER A 125 14.486 7.650 -5.963 1.00 0.00 O ATOM 1916 CB SER A 125 11.381 7.989 -7.425 1.00 0.00 C ATOM 1917 OG SER A 125 11.803 9.340 -7.424 1.00 0.00 O ATOM 0 H SER A 125 11.284 5.424 -6.943 1.00 0.00 H new ATOM 0 HA SER A 125 13.288 7.233 -8.101 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.840 7.772 -8.346 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.688 7.819 -6.601 1.00 0.00 H new ATOM 0 HG SER A 125 11.023 9.927 -7.509 1.00 0.00 H new