USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 34 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.766) USER MOD Set 1.2: A 35 THR OG1 : rot 85:sc= 1.13 USER MOD Set 2.1: A 16 ASN : amide:sc= -2.01 K(o=-2,f=-5.1!) USER MOD Set 2.2: A 63 MET CE :methyl -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 3 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.53) USER MOD Single : A 10 SER OG : rot -29:sc= 0.0619 USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= -0.0956 (180deg=-2.17!) USER MOD Single : A 15 ASN : amide:sc= -0.0071 X(o=-0.0071,f=-0.2) USER MOD Single : A 18 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2.1) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.162 F(o=-1.2,f=-0.16) USER MOD Single : A 28 GLN :FLIP amide:sc= 0.503 F(o=-1.9,f=0.5) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.13 F(o=-0.67,f=-0.13) USER MOD Single : A 39 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.92) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.572 F(o=-1.2,f=-0.57) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= 0 (180deg=-1.11) USER MOD Single : A 61 HIS : no HD1:sc= -0.304 X(o=-0.3,f=0.058) USER MOD Single : A 62 SER OG : rot -10:sc= -0.891 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 115:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.581 -3.857 9.103 1.00 0.00 N ATOM 41 CA HIS A 3 -10.400 -3.945 9.956 1.00 0.00 C ATOM 42 C HIS A 3 -9.176 -4.404 9.163 1.00 0.00 C ATOM 43 O HIS A 3 -8.062 -4.419 9.682 1.00 0.00 O ATOM 44 CB HIS A 3 -10.659 -4.904 11.120 1.00 0.00 C ATOM 45 CG HIS A 3 -10.733 -4.224 12.452 1.00 0.00 C ATOM 46 ND1 HIS A 3 -10.013 -3.089 12.758 1.00 0.00 N ATOM 47 CD2 HIS A 3 -11.448 -4.525 13.562 1.00 0.00 C ATOM 48 CE1 HIS A 3 -10.280 -2.722 13.999 1.00 0.00 C ATOM 49 NE2 HIS A 3 -11.149 -3.576 14.508 1.00 0.00 N ATOM 0 HA HIS A 3 -10.196 -2.949 10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.593 -5.436 10.941 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -9.867 -5.652 11.147 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.127 -5.357 13.681 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.859 -1.869 14.510 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.535 -3.537 15.451 1.00 0.00 H new ATOM 58 N GLU A 4 -9.389 -4.778 7.903 1.00 0.00 N ATOM 59 CA GLU A 4 -8.302 -5.236 7.044 1.00 0.00 C ATOM 60 C GLU A 4 -7.457 -4.065 6.540 1.00 0.00 C ATOM 61 O GLU A 4 -6.442 -4.255 5.877 1.00 0.00 O ATOM 62 CB GLU A 4 -8.862 -6.021 5.856 1.00 0.00 C ATOM 63 CG GLU A 4 -9.680 -7.236 6.260 1.00 0.00 C ATOM 64 CD GLU A 4 -11.174 -6.992 6.157 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.681 -6.887 5.021 1.00 0.00 O ATOM 66 OE2 GLU A 4 -11.835 -6.907 7.213 1.00 0.00 O ATOM 0 H GLU A 4 -10.305 -4.772 7.455 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.660 -5.887 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.484 -5.358 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.036 -6.344 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.409 -8.080 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.430 -7.514 7.284 1.00 0.00 H new ATOM 73 N PHE A 5 -7.876 -2.853 6.859 1.00 0.00 N ATOM 74 CA PHE A 5 -7.150 -1.667 6.445 1.00 0.00 C ATOM 75 C PHE A 5 -6.135 -1.270 7.504 1.00 0.00 C ATOM 76 O PHE A 5 -5.162 -0.576 7.224 1.00 0.00 O ATOM 77 CB PHE A 5 -8.110 -0.518 6.181 1.00 0.00 C ATOM 78 CG PHE A 5 -8.509 -0.383 4.740 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.526 -1.162 4.212 1.00 0.00 C ATOM 80 CD2 PHE A 5 -7.865 0.523 3.912 1.00 0.00 C ATOM 81 CE1 PHE A 5 -9.893 -1.040 2.885 1.00 0.00 C ATOM 82 CE2 PHE A 5 -8.228 0.650 2.584 1.00 0.00 C ATOM 83 CZ PHE A 5 -9.243 -0.134 2.070 1.00 0.00 C ATOM 0 H PHE A 5 -8.717 -2.665 7.405 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.620 -1.895 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.006 -0.659 6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.648 0.413 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.038 -1.872 4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.070 1.137 4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.688 -1.653 2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.719 1.361 1.950 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.528 -0.039 1.033 1.00 0.00 H new ATOM 93 N ARG A 6 -6.370 -1.722 8.723 1.00 0.00 N ATOM 94 CA ARG A 6 -5.471 -1.434 9.823 1.00 0.00 C ATOM 95 C ARG A 6 -4.861 -2.729 10.324 1.00 0.00 C ATOM 96 O ARG A 6 -3.723 -2.755 10.792 1.00 0.00 O ATOM 97 CB ARG A 6 -6.206 -0.715 10.955 1.00 0.00 C ATOM 98 CG ARG A 6 -6.975 0.515 10.496 1.00 0.00 C ATOM 99 CD ARG A 6 -8.393 0.160 10.077 1.00 0.00 C ATOM 100 NE ARG A 6 -9.038 1.252 9.352 1.00 0.00 N ATOM 101 CZ ARG A 6 -9.460 2.377 9.925 1.00 0.00 C ATOM 102 NH1 ARG A 6 -9.307 2.561 11.231 1.00 0.00 N ATOM 103 NH2 ARG A 6 -10.035 3.320 9.191 1.00 0.00 N ATOM 0 H ARG A 6 -7.178 -2.291 8.975 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.679 -0.774 9.470 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.899 -1.411 11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.484 -0.419 11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.005 1.248 11.302 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.453 0.981 9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.373 -0.731 9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.982 -0.086 10.961 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.173 1.146 8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.865 1.839 11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.632 3.425 11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.154 3.183 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.358 4.182 9.630 1.00 0.00 H new ATOM 117 N ASP A 7 -5.621 -3.811 10.204 1.00 0.00 N ATOM 118 CA ASP A 7 -5.147 -5.113 10.621 1.00 0.00 C ATOM 119 C ASP A 7 -4.454 -5.816 9.468 1.00 0.00 C ATOM 120 O ASP A 7 -3.492 -6.553 9.675 1.00 0.00 O ATOM 121 CB ASP A 7 -6.298 -5.969 11.154 1.00 0.00 C ATOM 122 CG ASP A 7 -7.120 -5.247 12.205 1.00 0.00 C ATOM 123 OD1 ASP A 7 -6.720 -4.137 12.615 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.164 -5.794 12.620 1.00 0.00 O ATOM 0 H ASP A 7 -6.566 -3.807 9.821 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.428 -4.971 11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.945 -6.258 10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.896 -6.888 11.580 1.00 0.00 H new ATOM 129 N GLU A 8 -4.918 -5.572 8.244 1.00 0.00 N ATOM 130 CA GLU A 8 -4.283 -6.186 7.092 1.00 0.00 C ATOM 131 C GLU A 8 -3.189 -5.275 6.565 1.00 0.00 C ATOM 132 O GLU A 8 -2.231 -5.734 5.950 1.00 0.00 O ATOM 133 CB GLU A 8 -5.291 -6.518 5.994 1.00 0.00 C ATOM 134 CG GLU A 8 -5.193 -7.950 5.502 1.00 0.00 C ATOM 135 CD GLU A 8 -6.283 -8.839 6.070 1.00 0.00 C ATOM 136 OE1 GLU A 8 -7.359 -8.934 5.443 1.00 0.00 O ATOM 137 OE2 GLU A 8 -6.060 -9.439 7.142 1.00 0.00 O ATOM 0 H GLU A 8 -5.712 -4.968 8.032 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.841 -7.130 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.299 -6.338 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.138 -5.841 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.251 -7.961 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.219 -8.357 5.773 1.00 0.00 H new ATOM 144 N ILE A 9 -3.321 -3.974 6.818 1.00 0.00 N ATOM 145 CA ILE A 9 -2.304 -3.041 6.364 1.00 0.00 C ATOM 146 C ILE A 9 -1.169 -2.942 7.371 1.00 0.00 C ATOM 147 O ILE A 9 -0.033 -2.668 7.000 1.00 0.00 O ATOM 148 CB ILE A 9 -2.868 -1.631 6.110 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.027 -1.693 5.113 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.767 -0.708 5.603 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.520 -0.335 4.657 1.00 0.00 C ATOM 0 H ILE A 9 -4.102 -3.555 7.322 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.931 -3.436 5.419 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.248 -1.229 7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.712 -2.266 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.856 -2.235 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.178 0.286 5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.973 -0.646 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.361 -1.103 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.341 -0.464 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.867 0.234 5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.706 0.203 4.171 1.00 0.00 H new ATOM 163 N SER A 10 -1.472 -3.145 8.646 1.00 0.00 N ATOM 164 CA SER A 10 -0.443 -3.051 9.668 1.00 0.00 C ATOM 165 C SER A 10 0.225 -4.393 9.953 1.00 0.00 C ATOM 166 O SER A 10 1.321 -4.434 10.509 1.00 0.00 O ATOM 167 CB SER A 10 -1.019 -2.467 10.959 1.00 0.00 C ATOM 168 OG SER A 10 0.014 -2.058 11.839 1.00 0.00 O ATOM 0 H SER A 10 -2.405 -3.372 8.991 1.00 0.00 H new ATOM 0 HA SER A 10 0.325 -2.383 9.279 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.658 -1.616 10.723 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.646 -3.211 11.450 1.00 0.00 H new ATOM 0 HG SER A 10 0.808 -2.614 11.692 1.00 0.00 H new ATOM 174 N VAL A 11 -0.436 -5.490 9.605 1.00 0.00 N ATOM 175 CA VAL A 11 0.126 -6.811 9.872 1.00 0.00 C ATOM 176 C VAL A 11 0.973 -7.342 8.717 1.00 0.00 C ATOM 177 O VAL A 11 1.950 -8.053 8.940 1.00 0.00 O ATOM 178 CB VAL A 11 -0.976 -7.835 10.221 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.393 -9.233 10.384 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.709 -7.414 11.486 1.00 0.00 C ATOM 0 H VAL A 11 -1.346 -5.495 9.145 1.00 0.00 H new ATOM 0 HA VAL A 11 0.783 -6.683 10.733 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.688 -7.861 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.191 -9.934 10.629 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.085 -9.539 9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.345 -9.228 11.186 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.483 -8.146 11.719 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.002 -7.357 12.314 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.168 -6.437 11.333 1.00 0.00 H new ATOM 190 N LEU A 12 0.592 -7.019 7.493 1.00 0.00 N ATOM 191 CA LEU A 12 1.328 -7.497 6.325 1.00 0.00 C ATOM 192 C LEU A 12 2.422 -6.527 5.918 1.00 0.00 C ATOM 193 O LEU A 12 3.515 -6.936 5.528 1.00 0.00 O ATOM 194 CB LEU A 12 0.378 -7.717 5.152 1.00 0.00 C ATOM 195 CG LEU A 12 -1.023 -8.168 5.548 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.958 -8.135 4.348 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.982 -9.561 6.160 1.00 0.00 C ATOM 0 H LEU A 12 -0.215 -6.433 7.278 1.00 0.00 H new ATOM 0 HA LEU A 12 1.795 -8.443 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.300 -6.789 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.811 -8.463 4.485 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.407 -7.476 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.953 -8.461 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.013 -7.119 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.579 -8.802 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.991 -9.867 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.576 -10.265 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.350 -9.550 7.048 1.00 0.00 H new ATOM 209 N LYS A 13 2.116 -5.242 5.990 1.00 0.00 N ATOM 210 CA LYS A 13 3.081 -4.218 5.603 1.00 0.00 C ATOM 211 C LYS A 13 4.108 -3.969 6.706 1.00 0.00 C ATOM 212 O LYS A 13 5.276 -3.705 6.423 1.00 0.00 O ATOM 213 CB LYS A 13 2.353 -2.922 5.218 1.00 0.00 C ATOM 214 CG LYS A 13 2.969 -1.650 5.786 1.00 0.00 C ATOM 215 CD LYS A 13 2.609 -1.453 7.253 1.00 0.00 C ATOM 216 CE LYS A 13 1.797 -0.184 7.463 1.00 0.00 C ATOM 217 NZ LYS A 13 1.423 0.010 8.891 1.00 0.00 N ATOM 0 H LYS A 13 1.217 -4.882 6.309 1.00 0.00 H new ATOM 0 HA LYS A 13 3.628 -4.579 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.330 -2.844 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.318 -2.989 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.053 -1.693 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.626 -0.791 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.040 -2.313 7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.520 -1.406 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.372 0.675 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.894 -0.227 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.387 0.050 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.786 -0.784 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.834 0.900 9.240 1.00 0.00 H new ATOM 231 N ALA A 14 3.673 -4.048 7.956 1.00 0.00 N ATOM 232 CA ALA A 14 4.568 -3.822 9.084 1.00 0.00 C ATOM 233 C ALA A 14 5.406 -5.060 9.404 1.00 0.00 C ATOM 234 O ALA A 14 6.260 -5.022 10.290 1.00 0.00 O ATOM 235 CB ALA A 14 3.776 -3.390 10.307 1.00 0.00 C ATOM 0 H ALA A 14 2.711 -4.266 8.215 1.00 0.00 H new ATOM 0 HA ALA A 14 5.256 -3.025 8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.457 -3.225 11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.241 -2.466 10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.061 -4.169 10.571 1.00 0.00 H new ATOM 241 N ASN A 15 5.155 -6.162 8.699 1.00 0.00 N ATOM 242 CA ASN A 15 5.894 -7.400 8.949 1.00 0.00 C ATOM 243 C ASN A 15 6.513 -7.981 7.684 1.00 0.00 C ATOM 244 O ASN A 15 7.242 -8.971 7.751 1.00 0.00 O ATOM 245 CB ASN A 15 4.984 -8.437 9.608 1.00 0.00 C ATOM 246 CG ASN A 15 5.271 -8.601 11.088 1.00 0.00 C ATOM 247 OD1 ASN A 15 6.421 -8.762 11.496 1.00 0.00 O ATOM 248 ND2 ASN A 15 4.222 -8.562 11.900 1.00 0.00 N ATOM 0 H ASN A 15 4.455 -6.224 7.959 1.00 0.00 H new ATOM 0 HA ASN A 15 6.713 -7.148 9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.944 -8.141 9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.110 -9.397 9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.352 -8.668 12.906 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.286 -8.426 11.518 1.00 0.00 H new ATOM 255 N ASN A 16 6.240 -7.376 6.537 1.00 0.00 N ATOM 256 CA ASN A 16 6.803 -7.874 5.294 1.00 0.00 C ATOM 257 C ASN A 16 8.221 -7.340 5.096 1.00 0.00 C ATOM 258 O ASN A 16 8.467 -6.153 5.279 1.00 0.00 O ATOM 259 CB ASN A 16 5.921 -7.486 4.107 1.00 0.00 C ATOM 260 CG ASN A 16 4.923 -8.570 3.749 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.046 -9.712 4.192 1.00 0.00 O ATOM 262 ND2 ASN A 16 3.928 -8.217 2.944 1.00 0.00 N ATOM 0 H ASN A 16 5.643 -6.554 6.442 1.00 0.00 H new ATOM 0 HA ASN A 16 6.845 -8.962 5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.385 -6.566 4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.551 -7.277 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.226 -8.904 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.865 -7.259 2.601 1.00 0.00 H new ATOM 269 N PRO A 17 9.179 -8.209 4.724 1.00 0.00 N ATOM 270 CA PRO A 17 10.572 -7.797 4.514 1.00 0.00 C ATOM 271 C PRO A 17 10.688 -6.568 3.634 1.00 0.00 C ATOM 272 O PRO A 17 11.529 -5.698 3.865 1.00 0.00 O ATOM 273 CB PRO A 17 11.203 -9.013 3.836 1.00 0.00 C ATOM 274 CG PRO A 17 10.390 -10.170 4.306 1.00 0.00 C ATOM 275 CD PRO A 17 8.987 -9.651 4.484 1.00 0.00 C ATOM 0 HA PRO A 17 11.059 -7.516 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.172 -8.922 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.250 -9.124 4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.415 -10.984 3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.781 -10.566 5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.377 -9.832 3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.484 -10.134 5.322 1.00 0.00 H new ATOM 283 N HIS A 18 9.833 -6.497 2.635 1.00 0.00 N ATOM 284 CA HIS A 18 9.819 -5.371 1.721 1.00 0.00 C ATOM 285 C HIS A 18 9.480 -4.080 2.458 1.00 0.00 C ATOM 286 O HIS A 18 9.769 -2.985 1.974 1.00 0.00 O ATOM 287 CB HIS A 18 8.806 -5.640 0.619 1.00 0.00 C ATOM 288 CG HIS A 18 9.363 -5.491 -0.762 1.00 0.00 C ATOM 289 ND1 HIS A 18 10.117 -4.406 -1.158 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.277 -6.300 -1.845 1.00 0.00 C ATOM 291 CE1 HIS A 18 10.468 -4.553 -2.423 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.972 -5.694 -2.863 1.00 0.00 N ATOM 0 H HIS A 18 9.133 -7.211 2.434 1.00 0.00 H new ATOM 0 HA HIS A 18 10.810 -5.251 1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.415 -6.651 0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.965 -4.957 0.737 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.758 -7.246 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.060 -3.858 -2.999 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.086 -6.066 -3.806 1.00 0.00 H new ATOM 301 N PHE A 19 8.868 -4.210 3.637 1.00 0.00 N ATOM 302 CA PHE A 19 8.499 -3.045 4.432 1.00 0.00 C ATOM 303 C PHE A 19 9.691 -2.108 4.597 1.00 0.00 C ATOM 304 O PHE A 19 9.538 -0.891 4.639 1.00 0.00 O ATOM 305 CB PHE A 19 7.948 -3.474 5.803 1.00 0.00 C ATOM 306 CG PHE A 19 8.989 -3.633 6.883 1.00 0.00 C ATOM 307 CD1 PHE A 19 10.079 -4.472 6.706 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.870 -2.942 8.077 1.00 0.00 C ATOM 309 CE1 PHE A 19 11.028 -4.617 7.700 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.816 -3.082 9.074 1.00 0.00 C ATOM 311 CZ PHE A 19 10.897 -3.921 8.885 1.00 0.00 C ATOM 0 H PHE A 19 8.620 -5.106 4.057 1.00 0.00 H new ATOM 0 HA PHE A 19 7.712 -2.506 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.215 -2.737 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.419 -4.420 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.187 -5.018 5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.027 -2.285 8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.872 -5.274 7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.711 -2.536 10.000 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.638 -4.032 9.663 1.00 0.00 H new ATOM 321 N ASP A 20 10.883 -2.674 4.668 1.00 0.00 N ATOM 322 CA ASP A 20 12.089 -1.872 4.809 1.00 0.00 C ATOM 323 C ASP A 20 12.045 -0.668 3.877 1.00 0.00 C ATOM 324 O ASP A 20 12.235 0.467 4.299 1.00 0.00 O ATOM 325 CB ASP A 20 13.320 -2.711 4.496 1.00 0.00 C ATOM 326 CG ASP A 20 13.841 -3.455 5.710 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.657 -2.952 6.838 1.00 0.00 O ATOM 328 OD2 ASP A 20 14.432 -4.540 5.532 1.00 0.00 O ATOM 0 H ASP A 20 11.043 -3.681 4.631 1.00 0.00 H new ATOM 0 HA ASP A 20 12.144 -1.521 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.077 -3.428 3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.106 -2.065 4.105 1.00 0.00 H new ATOM 333 N LYS A 21 11.792 -0.939 2.607 1.00 0.00 N ATOM 334 CA LYS A 21 11.716 0.108 1.598 1.00 0.00 C ATOM 335 C LYS A 21 10.291 0.627 1.430 1.00 0.00 C ATOM 336 O LYS A 21 10.048 1.834 1.468 1.00 0.00 O ATOM 337 CB LYS A 21 12.243 -0.417 0.261 1.00 0.00 C ATOM 338 CG LYS A 21 13.691 -0.042 -0.010 1.00 0.00 C ATOM 339 CD LYS A 21 14.627 -0.653 1.020 1.00 0.00 C ATOM 340 CE LYS A 21 15.947 -1.075 0.395 1.00 0.00 C ATOM 341 NZ LYS A 21 17.105 -0.765 1.278 1.00 0.00 N ATOM 0 H LYS A 21 11.635 -1.881 2.248 1.00 0.00 H new ATOM 0 HA LYS A 21 12.335 0.940 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.148 -1.503 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.619 -0.029 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.975 -0.380 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.795 1.043 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.814 0.068 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.148 -1.518 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.925 -2.145 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.074 -0.568 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.986 -1.068 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.142 0.259 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.997 -1.269 2.181 1.00 0.00 H new ATOM 355 N ILE A 22 9.361 -0.293 1.219 1.00 0.00 N ATOM 356 CA ILE A 22 7.959 0.056 1.012 1.00 0.00 C ATOM 357 C ILE A 22 7.335 0.693 2.249 1.00 0.00 C ATOM 358 O ILE A 22 6.461 1.554 2.138 1.00 0.00 O ATOM 359 CB ILE A 22 7.117 -1.177 0.624 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.869 -2.058 -0.380 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.780 -0.736 0.048 1.00 0.00 C ATOM 362 CD1 ILE A 22 7.041 -3.211 -0.906 1.00 0.00 C ATOM 0 H ILE A 22 9.552 -1.294 1.186 1.00 0.00 H new ATOM 0 HA ILE A 22 7.953 0.778 0.196 1.00 0.00 H new ATOM 0 HB ILE A 22 6.936 -1.768 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.196 -1.443 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.767 -2.452 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.193 -1.614 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.238 -0.152 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.950 -0.125 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.634 -3.793 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.736 -3.848 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.156 -2.823 -1.410 1.00 0.00 H new ATOM 374 N PHE A 23 7.769 0.258 3.424 1.00 0.00 N ATOM 375 CA PHE A 23 7.227 0.783 4.673 1.00 0.00 C ATOM 376 C PHE A 23 8.014 1.994 5.165 1.00 0.00 C ATOM 377 O PHE A 23 7.455 2.872 5.819 1.00 0.00 O ATOM 378 CB PHE A 23 7.194 -0.313 5.745 1.00 0.00 C ATOM 379 CG PHE A 23 6.676 0.139 7.077 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.316 0.237 7.311 1.00 0.00 C ATOM 381 CD2 PHE A 23 7.554 0.447 8.101 1.00 0.00 C ATOM 382 CE1 PHE A 23 4.837 0.639 8.543 1.00 0.00 C ATOM 383 CE2 PHE A 23 7.084 0.852 9.336 1.00 0.00 C ATOM 384 CZ PHE A 23 5.723 0.947 9.557 1.00 0.00 C ATOM 0 H PHE A 23 8.491 -0.453 3.540 1.00 0.00 H new ATOM 0 HA PHE A 23 6.207 1.114 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.574 -1.135 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.202 -0.707 5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.620 -0.004 6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.618 0.370 7.933 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.773 0.712 8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.779 1.094 10.127 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.353 1.262 10.521 1.00 0.00 H new ATOM 394 N GLU A 24 9.307 2.053 4.848 1.00 0.00 N ATOM 395 CA GLU A 24 10.119 3.188 5.275 1.00 0.00 C ATOM 396 C GLU A 24 9.879 4.386 4.370 1.00 0.00 C ATOM 397 O GLU A 24 9.819 5.524 4.833 1.00 0.00 O ATOM 398 CB GLU A 24 11.603 2.828 5.283 1.00 0.00 C ATOM 399 CG GLU A 24 12.489 3.916 5.869 1.00 0.00 C ATOM 400 CD GLU A 24 12.679 3.771 7.366 1.00 0.00 C ATOM 401 OE1 GLU A 24 11.719 3.356 8.049 1.00 0.00 O ATOM 402 OE2 GLU A 24 13.789 4.070 7.855 1.00 0.00 O ATOM 0 H GLU A 24 9.805 1.344 4.309 1.00 0.00 H new ATOM 0 HA GLU A 24 9.822 3.448 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.743 1.910 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.924 2.620 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.462 3.890 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.051 4.891 5.655 1.00 0.00 H new ATOM 409 N LYS A 25 9.732 4.120 3.078 1.00 0.00 N ATOM 410 CA LYS A 25 9.487 5.179 2.108 1.00 0.00 C ATOM 411 C LYS A 25 8.062 5.699 2.241 1.00 0.00 C ATOM 412 O LYS A 25 7.806 6.893 2.081 1.00 0.00 O ATOM 413 CB LYS A 25 9.730 4.670 0.686 1.00 0.00 C ATOM 414 CG LYS A 25 11.193 4.389 0.383 1.00 0.00 C ATOM 415 CD LYS A 25 12.041 5.646 0.507 1.00 0.00 C ATOM 416 CE LYS A 25 12.969 5.813 -0.686 1.00 0.00 C ATOM 417 NZ LYS A 25 14.308 6.323 -0.281 1.00 0.00 N ATOM 0 H LYS A 25 9.778 3.183 2.679 1.00 0.00 H new ATOM 0 HA LYS A 25 10.180 5.996 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.154 3.758 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.355 5.407 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.567 3.628 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.285 3.985 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.392 6.518 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.630 5.600 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.084 4.855 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.520 6.501 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.911 6.423 -1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.202 7.249 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.748 5.654 0.382 1.00 0.00 H new ATOM 431 N HIS A 26 7.137 4.796 2.546 1.00 0.00 N ATOM 432 CA HIS A 26 5.739 5.166 2.716 1.00 0.00 C ATOM 433 C HIS A 26 5.542 5.886 4.041 1.00 0.00 C ATOM 434 O HIS A 26 4.820 6.880 4.119 1.00 0.00 O ATOM 435 CB HIS A 26 4.844 3.926 2.651 1.00 0.00 C ATOM 436 CG HIS A 26 3.390 4.224 2.853 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.726 5.228 2.180 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.469 3.642 3.659 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.462 5.252 2.563 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.280 4.300 3.459 1.00 0.00 N ATOM 0 H HIS A 26 7.331 3.804 2.680 1.00 0.00 H new ATOM 0 HA HIS A 26 5.459 5.839 1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.976 3.443 1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.169 3.214 3.409 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.638 2.815 4.333 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.706 5.935 2.204 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.399 4.087 3.927 1.00 0.00 H new ATOM 449 N ASN A 27 6.192 5.379 5.081 1.00 0.00 N ATOM 450 CA ASN A 27 6.092 5.979 6.407 1.00 0.00 C ATOM 451 C ASN A 27 6.769 7.347 6.444 1.00 0.00 C ATOM 452 O ASN A 27 6.434 8.191 7.275 1.00 0.00 O ATOM 453 CB ASN A 27 6.711 5.059 7.460 1.00 0.00 C ATOM 454 CG ASN A 27 6.378 5.492 8.875 1.00 0.00 C ATOM 455 OD1 ASN A 27 7.024 6.557 9.336 1.00 0.00 O flip ATOM 456 ND2 ASN A 27 5.549 4.877 9.545 1.00 0.00 N flip ATOM 0 H ASN A 27 6.793 4.556 5.033 1.00 0.00 H new ATOM 0 HA ASN A 27 5.034 6.114 6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.357 4.040 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.793 5.043 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.076 4.064 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.334 5.181 10.495 1.00 0.00 H new ATOM 463 N GLN A 28 7.719 7.566 5.537 1.00 0.00 N ATOM 464 CA GLN A 28 8.428 8.838 5.471 1.00 0.00 C ATOM 465 C GLN A 28 7.518 9.917 4.904 1.00 0.00 C ATOM 466 O GLN A 28 7.502 11.050 5.387 1.00 0.00 O ATOM 467 CB GLN A 28 9.688 8.711 4.612 1.00 0.00 C ATOM 468 CG GLN A 28 10.854 9.547 5.114 1.00 0.00 C ATOM 469 CD GLN A 28 10.487 11.006 5.302 1.00 0.00 C ATOM 470 OE1 GLN A 28 9.956 11.335 6.474 1.00 0.00 O flip ATOM 471 NE2 GLN A 28 10.679 11.828 4.405 1.00 0.00 N flip ATOM 0 H GLN A 28 8.013 6.881 4.841 1.00 0.00 H new ATOM 0 HA GLN A 28 8.725 9.118 6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.990 7.664 4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.452 9.008 3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.207 9.140 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.681 9.472 4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.090 11.531 3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.427 12.806 4.547 1.00 0.00 H new ATOM 480 N LEU A 29 6.753 9.550 3.885 1.00 0.00 N ATOM 481 CA LEU A 29 5.825 10.478 3.259 1.00 0.00 C ATOM 482 C LEU A 29 4.697 10.811 4.221 1.00 0.00 C ATOM 483 O LEU A 29 4.407 11.979 4.475 1.00 0.00 O ATOM 484 CB LEU A 29 5.263 9.884 1.965 1.00 0.00 C ATOM 485 CG LEU A 29 5.843 10.474 0.680 1.00 0.00 C ATOM 486 CD1 LEU A 29 5.622 11.979 0.635 1.00 0.00 C ATOM 487 CD2 LEU A 29 7.326 10.148 0.565 1.00 0.00 C ATOM 0 H LEU A 29 6.758 8.616 3.475 1.00 0.00 H new ATOM 0 HA LEU A 29 6.360 11.395 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.444 8.809 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.182 10.026 1.957 1.00 0.00 H new ATOM 0 HG LEU A 29 5.325 10.026 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.042 12.381 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.553 12.191 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.112 12.444 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.722 10.576 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.858 10.568 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.461 9.066 0.550 1.00 0.00 H new ATOM 499 N ASP A 30 4.080 9.773 4.772 1.00 0.00 N ATOM 500 CA ASP A 30 2.996 9.952 5.728 1.00 0.00 C ATOM 501 C ASP A 30 3.493 10.703 6.959 1.00 0.00 C ATOM 502 O ASP A 30 2.702 11.267 7.716 1.00 0.00 O ATOM 503 CB ASP A 30 2.410 8.599 6.136 1.00 0.00 C ATOM 504 CG ASP A 30 1.145 8.741 6.960 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.250 9.106 8.151 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.050 8.487 6.416 1.00 0.00 O ATOM 0 H ASP A 30 4.312 8.800 4.573 1.00 0.00 H new ATOM 0 HA ASP A 30 2.212 10.540 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.194 8.015 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.152 8.042 6.708 1.00 0.00 H new ATOM 511 N ASP A 31 4.810 10.726 7.147 1.00 0.00 N ATOM 512 CA ASP A 31 5.398 11.437 8.272 1.00 0.00 C ATOM 513 C ASP A 31 5.645 12.887 7.879 1.00 0.00 C ATOM 514 O ASP A 31 5.578 13.790 8.713 1.00 0.00 O ATOM 515 CB ASP A 31 6.704 10.774 8.713 1.00 0.00 C ATOM 516 CG ASP A 31 7.294 11.421 9.950 1.00 0.00 C ATOM 517 OD1 ASP A 31 6.687 11.293 11.034 1.00 0.00 O ATOM 518 OD2 ASP A 31 8.362 12.059 9.835 1.00 0.00 O ATOM 0 H ASP A 31 5.484 10.263 6.538 1.00 0.00 H new ATOM 0 HA ASP A 31 4.705 11.403 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.523 9.718 8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.427 10.826 7.899 1.00 0.00 H new ATOM 523 N ASP A 32 5.905 13.100 6.592 1.00 0.00 N ATOM 524 CA ASP A 32 6.132 14.439 6.071 1.00 0.00 C ATOM 525 C ASP A 32 4.794 15.132 5.845 1.00 0.00 C ATOM 526 O ASP A 32 4.672 16.346 6.013 1.00 0.00 O ATOM 527 CB ASP A 32 6.925 14.379 4.765 1.00 0.00 C ATOM 528 CG ASP A 32 8.412 14.572 4.981 1.00 0.00 C ATOM 529 OD1 ASP A 32 8.785 15.324 5.907 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.206 13.973 4.226 1.00 0.00 O ATOM 0 H ASP A 32 5.963 12.360 5.892 1.00 0.00 H new ATOM 0 HA ASP A 32 6.713 15.008 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.753 13.417 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.557 15.147 4.084 1.00 0.00 H new ATOM 535 N ILE A 33 3.786 14.342 5.476 1.00 0.00 N ATOM 536 CA ILE A 33 2.453 14.862 5.242 1.00 0.00 C ATOM 537 C ILE A 33 1.893 15.462 6.524 1.00 0.00 C ATOM 538 O ILE A 33 1.207 16.485 6.497 1.00 0.00 O ATOM 539 CB ILE A 33 1.509 13.754 4.724 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.170 12.767 5.840 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.134 13.032 3.539 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.021 13.184 6.675 1.00 0.00 C ATOM 0 H ILE A 33 3.875 13.336 5.334 1.00 0.00 H new ATOM 0 HA ILE A 33 2.521 15.639 4.480 1.00 0.00 H new ATOM 0 HB ILE A 33 0.582 14.221 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.971 11.789 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.038 12.654 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.455 12.255 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.318 13.744 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.077 12.579 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.203 12.437 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.182 14.147 7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.901 13.269 6.037 1.00 0.00 H new ATOM 554 N LYS A 34 2.207 14.828 7.653 1.00 0.00 N ATOM 555 CA LYS A 34 1.753 15.313 8.946 1.00 0.00 C ATOM 556 C LYS A 34 2.628 16.474 9.388 1.00 0.00 C ATOM 557 O LYS A 34 2.142 17.463 9.938 1.00 0.00 O ATOM 558 CB LYS A 34 1.793 14.198 9.988 1.00 0.00 C ATOM 559 CG LYS A 34 3.132 13.484 10.068 1.00 0.00 C ATOM 560 CD LYS A 34 3.199 12.555 11.269 1.00 0.00 C ATOM 561 CE LYS A 34 3.835 13.238 12.468 1.00 0.00 C ATOM 562 NZ LYS A 34 5.307 13.396 12.301 1.00 0.00 N ATOM 0 H LYS A 34 2.773 13.980 7.694 1.00 0.00 H new ATOM 0 HA LYS A 34 0.721 15.651 8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.556 14.618 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.016 13.469 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.295 12.912 9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.934 14.219 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.194 12.223 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.772 11.665 11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.379 14.217 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.632 12.656 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.750 13.524 13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.698 12.547 11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.502 14.228 11.708 1.00 0.00 H new ATOM 576 N THR A 35 3.923 16.355 9.116 1.00 0.00 N ATOM 577 CA THR A 35 4.870 17.403 9.458 1.00 0.00 C ATOM 578 C THR A 35 4.575 18.650 8.635 1.00 0.00 C ATOM 579 O THR A 35 4.843 19.771 9.066 1.00 0.00 O ATOM 580 CB THR A 35 6.302 16.933 9.205 1.00 0.00 C ATOM 581 OG1 THR A 35 6.585 15.762 9.951 1.00 0.00 O ATOM 582 CG2 THR A 35 7.346 17.968 9.563 1.00 0.00 C ATOM 0 H THR A 35 4.338 15.543 8.660 1.00 0.00 H new ATOM 0 HA THR A 35 4.767 17.639 10.517 1.00 0.00 H new ATOM 0 HB THR A 35 6.357 16.742 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.275 14.976 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.339 17.569 9.359 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.187 18.867 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.265 18.215 10.621 1.00 0.00 H new ATOM 590 N ALA A 36 4.007 18.440 7.449 1.00 0.00 N ATOM 591 CA ALA A 36 3.656 19.542 6.564 1.00 0.00 C ATOM 592 C ALA A 36 2.277 20.092 6.911 1.00 0.00 C ATOM 593 O ALA A 36 1.975 21.254 6.638 1.00 0.00 O ATOM 594 CB ALA A 36 3.699 19.089 5.112 1.00 0.00 C ATOM 0 H ALA A 36 3.781 17.516 7.081 1.00 0.00 H new ATOM 0 HA ALA A 36 4.386 20.340 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.434 19.923 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.704 18.744 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.990 18.275 4.964 1.00 0.00 H new ATOM 600 N GLU A 37 1.442 19.251 7.520 1.00 0.00 N ATOM 601 CA GLU A 37 0.098 19.657 7.910 1.00 0.00 C ATOM 602 C GLU A 37 0.120 20.408 9.239 1.00 0.00 C ATOM 603 O GLU A 37 -0.803 21.162 9.552 1.00 0.00 O ATOM 604 CB GLU A 37 -0.816 18.435 8.019 1.00 0.00 C ATOM 605 CG GLU A 37 -1.191 17.834 6.674 1.00 0.00 C ATOM 606 CD GLU A 37 -2.646 18.065 6.317 1.00 0.00 C ATOM 607 OE1 GLU A 37 -3.110 19.219 6.430 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.324 17.090 5.924 1.00 0.00 O ATOM 0 H GLU A 37 1.675 18.286 7.753 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.289 20.325 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.321 17.674 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.726 18.718 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.558 18.265 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.991 16.763 6.690 1.00 0.00 H new ATOM 615 N GLN A 38 1.178 20.197 10.018 1.00 0.00 N ATOM 616 CA GLN A 38 1.318 20.853 11.312 1.00 0.00 C ATOM 617 C GLN A 38 1.270 22.371 11.167 1.00 0.00 C ATOM 618 O GLN A 38 0.646 23.061 11.974 1.00 0.00 O ATOM 619 CB GLN A 38 2.629 20.436 11.979 1.00 0.00 C ATOM 620 CG GLN A 38 2.546 19.102 12.703 1.00 0.00 C ATOM 621 CD GLN A 38 3.879 18.670 13.284 1.00 0.00 C ATOM 622 OE1 GLN A 38 4.320 17.471 12.926 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 4.505 19.408 14.046 1.00 0.00 N flip ATOM 0 H GLN A 38 1.950 19.577 9.774 1.00 0.00 H new ATOM 0 HA GLN A 38 0.482 20.541 11.938 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.411 20.381 11.221 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.927 21.207 12.689 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.810 19.173 13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.191 18.339 12.011 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.128 20.323 14.294 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.401 19.105 14.429 1.00 0.00 H new ATOM 632 N GLN A 39 1.934 22.888 10.137 1.00 0.00 N ATOM 633 CA GLN A 39 1.966 24.325 9.897 1.00 0.00 C ATOM 634 C GLN A 39 1.351 24.673 8.545 1.00 0.00 C ATOM 635 O GLN A 39 0.882 25.792 8.338 1.00 0.00 O ATOM 636 CB GLN A 39 3.406 24.841 9.960 1.00 0.00 C ATOM 637 CG GLN A 39 4.248 24.460 8.751 1.00 0.00 C ATOM 638 CD GLN A 39 5.005 23.161 8.954 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.790 23.027 9.893 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.772 22.196 8.072 1.00 0.00 N ATOM 0 H GLN A 39 2.455 22.334 9.458 1.00 0.00 H new ATOM 0 HA GLN A 39 1.376 24.807 10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.389 25.927 10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.882 24.452 10.860 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.602 24.367 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.957 25.260 8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.113 22.351 7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.252 21.300 8.158 1.00 0.00 H new ATOM 649 N ASN A 40 1.370 23.712 7.623 1.00 0.00 N ATOM 650 CA ASN A 40 0.829 23.928 6.288 1.00 0.00 C ATOM 651 C ASN A 40 1.648 24.977 5.551 1.00 0.00 C ATOM 652 O ASN A 40 1.107 25.952 5.026 1.00 0.00 O ATOM 653 CB ASN A 40 -0.634 24.363 6.371 1.00 0.00 C ATOM 654 CG ASN A 40 -1.590 23.187 6.349 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.578 22.397 7.415 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -2.331 22.992 5.386 1.00 0.00 N flip ATOM 0 H ASN A 40 1.754 22.780 7.778 1.00 0.00 H new ATOM 0 HA ASN A 40 0.883 22.990 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.788 24.936 7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.860 25.027 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.307 23.626 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.970 22.197 5.387 1.00 0.00 H new ATOM 663 N ALA A 41 2.963 24.767 5.520 1.00 0.00 N ATOM 664 CA ALA A 41 3.880 25.689 4.852 1.00 0.00 C ATOM 665 C ALA A 41 3.317 26.175 3.518 1.00 0.00 C ATOM 666 O ALA A 41 3.590 27.296 3.090 1.00 0.00 O ATOM 667 CB ALA A 41 5.232 25.023 4.642 1.00 0.00 C ATOM 0 H ALA A 41 3.419 23.963 5.952 1.00 0.00 H new ATOM 0 HA ALA A 41 4.005 26.560 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.907 25.719 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.651 24.739 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.107 24.133 4.025 1.00 0.00 H new ATOM 673 N SER A 42 2.527 25.325 2.869 1.00 0.00 N ATOM 674 CA SER A 42 1.923 25.672 1.590 1.00 0.00 C ATOM 675 C SER A 42 0.966 24.581 1.122 1.00 0.00 C ATOM 676 O SER A 42 1.300 23.397 1.141 1.00 0.00 O ATOM 677 CB SER A 42 3.007 25.901 0.536 1.00 0.00 C ATOM 678 OG SER A 42 2.686 27.000 -0.299 1.00 0.00 O ATOM 0 H SER A 42 2.291 24.392 3.208 1.00 0.00 H new ATOM 0 HA SER A 42 1.355 26.593 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.963 26.081 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.124 25.003 -0.070 1.00 0.00 H new ATOM 0 HG SER A 42 3.396 27.125 -0.962 1.00 0.00 H new ATOM 684 N ASP A 43 -0.226 24.990 0.696 1.00 0.00 N ATOM 685 CA ASP A 43 -1.233 24.051 0.214 1.00 0.00 C ATOM 686 C ASP A 43 -0.640 23.147 -0.856 1.00 0.00 C ATOM 687 O ASP A 43 -0.820 21.930 -0.830 1.00 0.00 O ATOM 688 CB ASP A 43 -2.442 24.805 -0.344 1.00 0.00 C ATOM 689 CG ASP A 43 -3.527 25.008 0.695 1.00 0.00 C ATOM 690 OD1 ASP A 43 -4.337 24.079 0.897 1.00 0.00 O ATOM 691 OD2 ASP A 43 -3.566 26.095 1.309 1.00 0.00 O ATOM 0 H ASP A 43 -0.518 25.967 0.675 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.562 23.436 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.119 25.775 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.852 24.253 -1.190 1.00 0.00 H new ATOM 696 N ALA A 44 0.084 23.755 -1.786 1.00 0.00 N ATOM 697 CA ALA A 44 0.727 23.009 -2.856 1.00 0.00 C ATOM 698 C ALA A 44 1.784 22.078 -2.276 1.00 0.00 C ATOM 699 O ALA A 44 2.037 20.997 -2.806 1.00 0.00 O ATOM 700 CB ALA A 44 1.346 23.960 -3.869 1.00 0.00 C ATOM 0 H ALA A 44 0.240 24.762 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.024 22.408 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.823 23.386 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.568 24.593 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.091 24.584 -3.375 1.00 0.00 H new ATOM 706 N GLU A 45 2.390 22.505 -1.171 1.00 0.00 N ATOM 707 CA GLU A 45 3.411 21.712 -0.500 1.00 0.00 C ATOM 708 C GLU A 45 2.774 20.540 0.230 1.00 0.00 C ATOM 709 O GLU A 45 3.281 19.420 0.191 1.00 0.00 O ATOM 710 CB GLU A 45 4.198 22.575 0.488 1.00 0.00 C ATOM 711 CG GLU A 45 5.233 23.469 -0.175 1.00 0.00 C ATOM 712 CD GLU A 45 6.035 24.276 0.828 1.00 0.00 C ATOM 713 OE1 GLU A 45 6.382 23.723 1.893 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.314 25.461 0.549 1.00 0.00 O ATOM 0 H GLU A 45 2.189 23.399 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 45 4.098 21.329 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.501 23.196 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.698 21.926 1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.911 22.855 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.732 24.148 -0.865 1.00 0.00 H new ATOM 721 N VAL A 46 1.654 20.807 0.890 1.00 0.00 N ATOM 722 CA VAL A 46 0.944 19.768 1.623 1.00 0.00 C ATOM 723 C VAL A 46 0.123 18.898 0.676 1.00 0.00 C ATOM 724 O VAL A 46 -0.211 17.758 0.999 1.00 0.00 O ATOM 725 CB VAL A 46 0.012 20.362 2.697 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.503 19.268 3.618 1.00 0.00 C ATOM 727 CG2 VAL A 46 0.729 21.446 3.493 1.00 0.00 C ATOM 0 H VAL A 46 1.220 21.729 0.933 1.00 0.00 H new ATOM 0 HA VAL A 46 1.701 19.158 2.116 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.842 20.819 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.160 19.705 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.058 18.533 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.339 18.780 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.053 21.852 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.604 21.019 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.044 22.244 2.820 1.00 0.00 H new ATOM 737 N SER A 47 -0.193 19.440 -0.496 1.00 0.00 N ATOM 738 CA SER A 47 -0.969 18.711 -1.491 1.00 0.00 C ATOM 739 C SER A 47 -0.063 17.869 -2.380 1.00 0.00 C ATOM 740 O SER A 47 -0.509 16.903 -2.999 1.00 0.00 O ATOM 741 CB SER A 47 -1.790 19.678 -2.345 1.00 0.00 C ATOM 742 OG SER A 47 -2.314 19.030 -3.490 1.00 0.00 O ATOM 0 H SER A 47 0.077 20.382 -0.779 1.00 0.00 H new ATOM 0 HA SER A 47 -1.649 18.043 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.606 20.089 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.165 20.517 -2.652 1.00 0.00 H new ATOM 0 HG SER A 47 -2.836 19.670 -4.018 1.00 0.00 H new ATOM 748 N HIS A 48 1.208 18.236 -2.433 1.00 0.00 N ATOM 749 CA HIS A 48 2.175 17.511 -3.240 1.00 0.00 C ATOM 750 C HIS A 48 2.707 16.300 -2.484 1.00 0.00 C ATOM 751 O HIS A 48 3.079 15.293 -3.088 1.00 0.00 O ATOM 752 CB HIS A 48 3.321 18.437 -3.627 1.00 0.00 C ATOM 753 CG HIS A 48 4.221 17.874 -4.682 1.00 0.00 C ATOM 754 ND1 HIS A 48 5.534 17.523 -4.443 1.00 0.00 N ATOM 755 CD2 HIS A 48 3.992 17.599 -5.988 1.00 0.00 C ATOM 756 CE1 HIS A 48 6.072 17.057 -5.556 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.158 17.092 -6.507 1.00 0.00 N ATOM 0 H HIS A 48 1.593 19.033 -1.926 1.00 0.00 H new ATOM 0 HA HIS A 48 1.680 17.157 -4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.909 19.382 -3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.912 18.659 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.065 17.750 -6.522 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.087 16.707 -5.668 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.295 16.791 -7.472 1.00 0.00 H new ATOM 766 N MET A 49 2.735 16.400 -1.159 1.00 0.00 N ATOM 767 CA MET A 49 3.213 15.308 -0.326 1.00 0.00 C ATOM 768 C MET A 49 2.195 14.178 -0.291 1.00 0.00 C ATOM 769 O MET A 49 2.558 13.002 -0.247 1.00 0.00 O ATOM 770 CB MET A 49 3.500 15.800 1.094 1.00 0.00 C ATOM 771 CG MET A 49 4.773 16.622 1.206 1.00 0.00 C ATOM 772 SD MET A 49 6.263 15.606 1.163 1.00 0.00 S ATOM 773 CE MET A 49 7.414 16.728 0.371 1.00 0.00 C ATOM 0 H MET A 49 2.432 17.226 -0.642 1.00 0.00 H new ATOM 0 HA MET A 49 4.140 14.931 -0.759 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.658 16.400 1.439 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.573 14.940 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.807 17.345 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.753 17.191 2.135 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.385 16.243 0.272 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.040 16.995 -0.617 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.518 17.629 0.975 1.00 0.00 H new ATOM 783 N LYS A 50 0.917 14.538 -0.326 1.00 0.00 N ATOM 784 CA LYS A 50 -0.145 13.543 -0.312 1.00 0.00 C ATOM 785 C LYS A 50 -0.136 12.749 -1.607 1.00 0.00 C ATOM 786 O LYS A 50 -0.421 11.552 -1.613 1.00 0.00 O ATOM 787 CB LYS A 50 -1.507 14.198 -0.124 1.00 0.00 C ATOM 788 CG LYS A 50 -1.560 15.184 1.033 1.00 0.00 C ATOM 789 CD LYS A 50 -2.464 14.689 2.153 1.00 0.00 C ATOM 790 CE LYS A 50 -3.385 15.790 2.656 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.762 15.656 2.108 1.00 0.00 N ATOM 0 H LYS A 50 0.594 15.505 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 50 0.035 12.871 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.781 14.716 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.254 13.421 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.554 15.344 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.920 16.148 0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.061 13.850 1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.854 14.319 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.423 15.762 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.976 16.761 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.358 16.425 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.729 15.709 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.163 14.740 2.396 1.00 0.00 H new ATOM 805 N LYS A 51 0.213 13.416 -2.703 1.00 0.00 N ATOM 806 CA LYS A 51 0.279 12.753 -3.999 1.00 0.00 C ATOM 807 C LYS A 51 1.184 11.532 -3.901 1.00 0.00 C ATOM 808 O LYS A 51 0.957 10.518 -4.560 1.00 0.00 O ATOM 809 CB LYS A 51 0.794 13.716 -5.071 1.00 0.00 C ATOM 810 CG LYS A 51 -0.222 14.011 -6.162 1.00 0.00 C ATOM 811 CD LYS A 51 -1.292 14.978 -5.680 1.00 0.00 C ATOM 812 CE LYS A 51 -2.661 14.613 -6.230 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.760 15.092 -5.348 1.00 0.00 N ATOM 0 H LYS A 51 0.453 14.407 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.723 12.433 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.087 14.652 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.691 13.295 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.286 14.432 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.690 13.081 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.324 14.974 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.033 15.991 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.779 15.044 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.731 13.531 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.677 14.823 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.662 14.661 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.710 16.127 -5.262 1.00 0.00 H new ATOM 827 N GLN A 52 2.199 11.636 -3.047 1.00 0.00 N ATOM 828 CA GLN A 52 3.128 10.538 -2.830 1.00 0.00 C ATOM 829 C GLN A 52 2.555 9.553 -1.812 1.00 0.00 C ATOM 830 O GLN A 52 2.987 8.404 -1.737 1.00 0.00 O ATOM 831 CB GLN A 52 4.479 11.068 -2.346 1.00 0.00 C ATOM 832 CG GLN A 52 5.199 11.929 -3.372 1.00 0.00 C ATOM 833 CD GLN A 52 6.528 11.338 -3.800 1.00 0.00 C ATOM 834 OE1 GLN A 52 7.419 11.127 -2.979 1.00 0.00 O ATOM 835 NE2 GLN A 52 6.665 11.067 -5.093 1.00 0.00 N ATOM 0 H GLN A 52 2.396 12.471 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 52 3.276 10.019 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.327 11.651 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.116 10.225 -2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.562 12.053 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.365 12.922 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.899 11.259 -5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.537 10.667 -5.441 1.00 0.00 H new ATOM 844 N LYS A 53 1.570 10.011 -1.036 1.00 0.00 N ATOM 845 CA LYS A 53 0.933 9.169 -0.032 1.00 0.00 C ATOM 846 C LYS A 53 0.118 8.071 -0.696 1.00 0.00 C ATOM 847 O LYS A 53 0.389 6.884 -0.518 1.00 0.00 O ATOM 848 CB LYS A 53 0.020 10.012 0.853 1.00 0.00 C ATOM 849 CG LYS A 53 -0.203 9.424 2.238 1.00 0.00 C ATOM 850 CD LYS A 53 -1.640 8.967 2.428 1.00 0.00 C ATOM 851 CE LYS A 53 -2.016 8.907 3.900 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.747 10.129 4.337 1.00 0.00 N ATOM 0 H LYS A 53 1.199 10.960 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 53 1.713 8.713 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.448 11.009 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.944 10.129 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.470 8.580 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.045 10.169 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.312 9.650 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.773 7.984 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.636 8.029 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.114 8.789 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.985 10.049 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.146 10.965 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.621 10.228 3.782 1.00 0.00 H new ATOM 866 N LEU A 54 -0.873 8.483 -1.473 1.00 0.00 N ATOM 867 CA LEU A 54 -1.728 7.546 -2.186 1.00 0.00 C ATOM 868 C LEU A 54 -0.894 6.702 -3.136 1.00 0.00 C ATOM 869 O LEU A 54 -1.282 5.594 -3.508 1.00 0.00 O ATOM 870 CB LEU A 54 -2.814 8.294 -2.963 1.00 0.00 C ATOM 871 CG LEU A 54 -3.778 7.400 -3.747 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.088 7.234 -2.991 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.032 7.974 -5.133 1.00 0.00 C ATOM 0 H LEU A 54 -1.105 9.464 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.211 6.893 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.390 8.898 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.334 8.983 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.319 6.418 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.760 6.595 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.893 6.777 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.551 8.210 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.719 7.325 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.469 8.968 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.090 8.040 -5.677 1.00 0.00 H new ATOM 885 N LYS A 55 0.267 7.229 -3.513 1.00 0.00 N ATOM 886 CA LYS A 55 1.169 6.518 -4.406 1.00 0.00 C ATOM 887 C LYS A 55 1.977 5.510 -3.615 1.00 0.00 C ATOM 888 O LYS A 55 1.997 4.322 -3.937 1.00 0.00 O ATOM 889 CB LYS A 55 2.090 7.495 -5.141 1.00 0.00 C ATOM 890 CG LYS A 55 1.892 7.499 -6.649 1.00 0.00 C ATOM 891 CD LYS A 55 0.486 7.936 -7.026 1.00 0.00 C ATOM 892 CE LYS A 55 0.366 8.203 -8.517 1.00 0.00 C ATOM 893 NZ LYS A 55 -0.805 9.065 -8.836 1.00 0.00 N ATOM 0 H LYS A 55 0.603 8.144 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 55 0.580 5.990 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.919 8.501 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.127 7.241 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.618 8.168 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.082 6.501 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.226 7.164 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.223 8.837 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.277 8.683 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.275 7.256 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.850 9.223 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.678 8.597 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.706 9.979 -8.349 1.00 0.00 H new ATOM 907 N LEU A 56 2.606 5.980 -2.549 1.00 0.00 N ATOM 908 CA LEU A 56 3.369 5.102 -1.686 1.00 0.00 C ATOM 909 C LEU A 56 2.411 4.195 -0.924 1.00 0.00 C ATOM 910 O LEU A 56 2.830 3.235 -0.276 1.00 0.00 O ATOM 911 CB LEU A 56 4.229 5.907 -0.710 1.00 0.00 C ATOM 912 CG LEU A 56 5.554 6.417 -1.281 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.018 7.656 -0.532 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.612 5.325 -1.221 1.00 0.00 C ATOM 0 H LEU A 56 2.602 6.960 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 56 4.038 4.496 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.650 6.761 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.441 5.286 0.160 1.00 0.00 H new ATOM 0 HG LEU A 56 5.399 6.689 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.962 8.003 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.268 8.441 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.158 7.413 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.549 5.703 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.765 5.023 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.281 4.466 -1.804 1.00 0.00 H new ATOM 926 N LYS A 57 1.112 4.493 -1.026 1.00 0.00 N ATOM 927 CA LYS A 57 0.098 3.686 -0.366 1.00 0.00 C ATOM 928 C LYS A 57 -0.297 2.528 -1.267 1.00 0.00 C ATOM 929 O LYS A 57 -0.660 1.455 -0.792 1.00 0.00 O ATOM 930 CB LYS A 57 -1.135 4.527 -0.026 1.00 0.00 C ATOM 931 CG LYS A 57 -2.294 3.709 0.528 1.00 0.00 C ATOM 932 CD LYS A 57 -3.622 4.428 0.343 1.00 0.00 C ATOM 933 CE LYS A 57 -4.412 3.848 -0.819 1.00 0.00 C ATOM 934 NZ LYS A 57 -3.825 4.229 -2.134 1.00 0.00 N ATOM 0 H LYS A 57 0.746 5.283 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 57 0.514 3.300 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.856 5.288 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.466 5.051 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.330 2.741 0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.129 3.514 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.209 4.351 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.442 5.489 0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.438 2.762 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.443 4.197 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.567 4.217 -2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.419 5.184 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.078 3.552 -2.390 1.00 0.00 H new ATOM 948 N ASP A 58 -0.217 2.755 -2.573 1.00 0.00 N ATOM 949 CA ASP A 58 -0.559 1.726 -3.541 1.00 0.00 C ATOM 950 C ASP A 58 0.341 0.513 -3.364 1.00 0.00 C ATOM 951 O ASP A 58 -0.095 -0.622 -3.533 1.00 0.00 O ATOM 952 CB ASP A 58 -0.437 2.270 -4.967 1.00 0.00 C ATOM 953 CG ASP A 58 -1.056 1.343 -5.994 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.263 1.046 -5.874 1.00 0.00 O ATOM 955 OD2 ASP A 58 -0.333 0.914 -6.918 1.00 0.00 O ATOM 0 H ASP A 58 0.081 3.640 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.592 1.423 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.921 3.245 -5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.616 2.422 -5.206 1.00 0.00 H new ATOM 960 N GLU A 59 1.599 0.762 -3.015 1.00 0.00 N ATOM 961 CA GLU A 59 2.557 -0.321 -2.811 1.00 0.00 C ATOM 962 C GLU A 59 2.254 -1.081 -1.523 1.00 0.00 C ATOM 963 O GLU A 59 2.318 -2.310 -1.486 1.00 0.00 O ATOM 964 CB GLU A 59 3.982 0.229 -2.771 1.00 0.00 C ATOM 965 CG GLU A 59 4.170 1.361 -1.774 1.00 0.00 C ATOM 966 CD GLU A 59 5.618 1.795 -1.651 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.323 1.809 -2.682 1.00 0.00 O ATOM 968 OE2 GLU A 59 6.048 2.118 -0.524 1.00 0.00 O ATOM 0 H GLU A 59 1.978 1.697 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 59 2.468 -1.013 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.668 -0.581 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.254 0.583 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.564 2.214 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.805 1.044 -0.797 1.00 0.00 H new ATOM 975 N ILE A 60 1.909 -0.345 -0.475 1.00 0.00 N ATOM 976 CA ILE A 60 1.578 -0.950 0.808 1.00 0.00 C ATOM 977 C ILE A 60 0.197 -1.586 0.737 1.00 0.00 C ATOM 978 O ILE A 60 -0.039 -2.652 1.305 1.00 0.00 O ATOM 979 CB ILE A 60 1.610 0.093 1.948 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.052 0.514 2.240 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.947 -0.451 3.209 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.896 -0.585 2.852 1.00 0.00 C ATOM 0 H ILE A 60 1.851 0.673 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 60 2.326 -1.713 1.023 1.00 0.00 H new ATOM 0 HB ILE A 60 1.047 0.968 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.519 0.845 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.042 1.370 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.984 0.304 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.092 -0.701 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.474 -1.345 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.905 -0.212 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.453 -0.901 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.938 -1.434 2.170 1.00 0.00 H new ATOM 994 N HIS A 61 -0.703 -0.924 0.020 1.00 0.00 N ATOM 995 CA HIS A 61 -2.064 -1.415 -0.154 1.00 0.00 C ATOM 996 C HIS A 61 -2.071 -2.587 -1.118 1.00 0.00 C ATOM 997 O HIS A 61 -2.779 -3.572 -0.909 1.00 0.00 O ATOM 998 CB HIS A 61 -2.972 -0.299 -0.674 1.00 0.00 C ATOM 999 CG HIS A 61 -4.414 -0.691 -0.757 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.289 -0.572 0.303 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.136 -1.201 -1.783 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.484 -0.994 -0.066 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.419 -1.381 -1.327 1.00 0.00 N ATOM 0 H HIS A 61 -0.513 -0.040 -0.453 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.443 -1.747 0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.877 0.569 -0.022 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.629 0.006 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.771 -1.424 -2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.365 -1.019 0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.196 -1.753 -1.874 1.00 0.00 H new ATOM 1012 N SER A 62 -1.264 -2.483 -2.168 1.00 0.00 N ATOM 1013 CA SER A 62 -1.173 -3.556 -3.150 1.00 0.00 C ATOM 1014 C SER A 62 -0.574 -4.797 -2.505 1.00 0.00 C ATOM 1015 O SER A 62 -0.905 -5.923 -2.877 1.00 0.00 O ATOM 1016 CB SER A 62 -0.334 -3.136 -4.359 1.00 0.00 C ATOM 1017 OG SER A 62 0.989 -2.810 -3.974 1.00 0.00 O ATOM 0 H SER A 62 -0.670 -1.676 -2.360 1.00 0.00 H new ATOM 0 HA SER A 62 -2.180 -3.779 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.314 -3.944 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.796 -2.277 -4.846 1.00 0.00 H new ATOM 0 HG SER A 62 1.044 -2.766 -2.997 1.00 0.00 H new ATOM 1023 N MET A 63 0.305 -4.588 -1.524 1.00 0.00 N ATOM 1024 CA MET A 63 0.933 -5.701 -0.824 1.00 0.00 C ATOM 1025 C MET A 63 -0.128 -6.602 -0.202 1.00 0.00 C ATOM 1026 O MET A 63 -0.033 -7.827 -0.268 1.00 0.00 O ATOM 1027 CB MET A 63 1.886 -5.185 0.256 1.00 0.00 C ATOM 1028 CG MET A 63 3.003 -6.157 0.594 1.00 0.00 C ATOM 1029 SD MET A 63 4.081 -6.491 -0.813 1.00 0.00 S ATOM 1030 CE MET A 63 5.615 -6.882 0.022 1.00 0.00 C ATOM 0 H MET A 63 0.594 -3.665 -1.201 1.00 0.00 H new ATOM 0 HA MET A 63 1.507 -6.282 -1.546 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.323 -4.243 -0.076 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.316 -4.971 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.596 -5.752 1.414 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.571 -7.094 0.946 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.401 -7.042 -0.716 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.895 -6.056 0.675 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.485 -7.787 0.616 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.146 -5.984 0.389 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.233 -6.730 1.005 1.00 0.00 C ATOM 1042 C ILE A 64 -3.005 -7.502 -0.052 1.00 0.00 C ATOM 1043 O ILE A 64 -3.391 -8.650 0.161 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.200 -5.797 1.756 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.451 -5.040 2.849 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.363 -6.583 2.347 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.529 -3.540 2.690 1.00 0.00 C ATOM 0 H ILE A 64 -1.239 -4.970 0.453 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.791 -7.423 1.721 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.609 -5.077 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.859 -5.318 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.405 -5.346 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.032 -5.902 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.909 -7.082 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.981 -7.328 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.977 -3.059 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.095 -3.253 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.572 -3.224 2.725 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.213 -6.867 -1.201 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.921 -7.504 -2.299 1.00 0.00 C ATOM 1061 C ILE A 65 -3.231 -8.804 -2.675 1.00 0.00 C ATOM 1062 O ILE A 65 -3.872 -9.844 -2.819 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.981 -6.593 -3.539 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.528 -5.212 -3.167 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.832 -7.231 -4.627 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.873 -5.260 -2.473 1.00 0.00 C ATOM 0 H ILE A 65 -2.901 -5.915 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.939 -7.700 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.969 -6.467 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.811 -4.709 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.616 -4.610 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.864 -6.574 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.399 -8.190 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.844 -7.387 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.198 -4.246 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.604 -5.734 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.786 -5.835 -1.551 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.911 -8.738 -2.808 1.00 0.00 N ATOM 1079 CA GLU A 66 -1.124 -9.914 -3.141 1.00 0.00 C ATOM 1080 C GLU A 66 -1.046 -10.850 -1.941 1.00 0.00 C ATOM 1081 O GLU A 66 -0.745 -12.035 -2.086 1.00 0.00 O ATOM 1082 CB GLU A 66 0.283 -9.507 -3.583 1.00 0.00 C ATOM 1083 CG GLU A 66 0.428 -9.357 -5.089 1.00 0.00 C ATOM 1084 CD GLU A 66 1.784 -9.812 -5.593 1.00 0.00 C ATOM 1085 OE1 GLU A 66 2.753 -9.031 -5.477 1.00 0.00 O ATOM 1086 OE2 GLU A 66 1.878 -10.948 -6.101 1.00 0.00 O ATOM 0 H GLU A 66 -1.367 -7.883 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.610 -10.436 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.546 -8.563 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.996 -10.253 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.352 -9.935 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.274 -8.313 -5.363 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.324 -10.311 -0.753 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.286 -11.106 0.470 1.00 0.00 C ATOM 1095 C TYR A 67 -2.599 -11.851 0.678 1.00 0.00 C ATOM 1096 O TYR A 67 -2.609 -13.000 1.119 1.00 0.00 O ATOM 1097 CB TYR A 67 -1.004 -10.208 1.674 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.162 -10.872 2.740 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.747 -11.656 3.726 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.219 -10.715 2.760 1.00 0.00 C ATOM 1101 CE1 TYR A 67 0.019 -12.266 4.702 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.992 -11.321 3.732 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.387 -12.095 4.701 1.00 0.00 C ATOM 1104 OH TYR A 67 2.153 -12.700 5.671 1.00 0.00 O ATOM 0 H TYR A 67 -1.576 -9.332 -0.614 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.485 -11.839 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.497 -9.305 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.951 -9.895 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.818 -11.791 3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.696 -10.109 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.452 -12.873 5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.064 -11.190 3.733 1.00 0.00 H new ATOM 0 HH TYR A 67 3.097 -12.480 5.527 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.703 -11.188 0.361 1.00 0.00 N ATOM 1115 CA ARG A 68 -5.024 -11.784 0.515 1.00 0.00 C ATOM 1116 C ARG A 68 -5.329 -12.739 -0.636 1.00 0.00 C ATOM 1117 O ARG A 68 -6.126 -13.667 -0.490 1.00 0.00 O ATOM 1118 CB ARG A 68 -6.093 -10.691 0.591 1.00 0.00 C ATOM 1119 CG ARG A 68 -6.238 -9.890 -0.693 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.228 -8.749 -0.528 1.00 0.00 C ATOM 1121 NE ARG A 68 -8.611 -9.201 -0.650 1.00 0.00 N ATOM 1122 CZ ARG A 68 -9.640 -8.387 -0.876 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -9.447 -7.080 -1.005 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -10.867 -8.881 -0.973 1.00 0.00 N ATOM 0 H ARG A 68 -3.710 -10.236 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.033 -12.354 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.052 -11.149 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.848 -10.012 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.267 -9.491 -0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.569 -10.547 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.084 -8.283 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.029 -7.985 -1.280 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.800 -10.199 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.506 -6.694 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.240 -6.462 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.022 -9.884 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.656 -8.258 -1.146 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.689 -12.510 -1.779 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.892 -13.355 -2.951 1.00 0.00 C ATOM 1140 C GLU A 69 -3.937 -14.545 -2.941 1.00 0.00 C ATOM 1141 O GLU A 69 -4.202 -15.565 -3.571 1.00 0.00 O ATOM 1142 CB GLU A 69 -4.706 -12.543 -4.234 1.00 0.00 C ATOM 1143 CG GLU A 69 -5.775 -12.807 -5.281 1.00 0.00 C ATOM 1144 CD GLU A 69 -6.852 -11.740 -5.294 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -7.280 -11.315 -4.200 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -7.269 -11.331 -6.399 1.00 0.00 O ATOM 0 H GLU A 69 -4.026 -11.747 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.913 -13.735 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.707 -11.482 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.729 -12.770 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.310 -12.861 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.233 -13.778 -5.091 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.834 -14.413 -2.209 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.852 -15.476 -2.098 1.00 0.00 C ATOM 1155 C LYS A 70 -2.195 -16.357 -0.911 1.00 0.00 C ATOM 1156 O LYS A 70 -1.997 -17.566 -0.943 1.00 0.00 O ATOM 1157 CB LYS A 70 -0.438 -14.900 -1.955 1.00 0.00 C ATOM 1158 CG LYS A 70 -0.156 -14.282 -0.594 1.00 0.00 C ATOM 1159 CD LYS A 70 0.656 -15.217 0.287 1.00 0.00 C ATOM 1160 CE LYS A 70 2.142 -14.911 0.203 1.00 0.00 C ATOM 1161 NZ LYS A 70 2.511 -13.718 1.014 1.00 0.00 N ATOM 0 H LYS A 70 -2.601 -13.571 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.874 -16.076 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.287 -15.693 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.285 -14.143 -2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.383 -13.344 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.098 -14.042 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.323 -15.126 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.478 -16.249 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.710 -15.775 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.419 -14.742 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.533 -13.543 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.988 -12.888 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.270 -13.888 2.011 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.734 -15.736 0.133 1.00 0.00 N ATOM 1176 CA GLN A 71 -3.132 -16.466 1.324 1.00 0.00 C ATOM 1177 C GLN A 71 -4.401 -17.249 1.039 1.00 0.00 C ATOM 1178 O GLN A 71 -4.633 -18.305 1.617 1.00 0.00 O ATOM 1179 CB GLN A 71 -3.349 -15.511 2.499 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.325 -16.200 3.853 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.463 -15.756 4.754 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -5.630 -16.034 4.481 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -4.126 -15.060 5.834 1.00 0.00 N ATOM 0 H GLN A 71 -2.904 -14.731 0.175 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.335 -17.158 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.578 -14.741 2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.307 -15.006 2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.381 -17.279 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.375 -15.993 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.145 -14.852 6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.848 -14.733 6.476 1.00 0.00 H new ATOM 1192 N LYS A 72 -5.215 -16.737 0.125 1.00 0.00 N ATOM 1193 CA LYS A 72 -6.442 -17.420 -0.243 1.00 0.00 C ATOM 1194 C LYS A 72 -6.179 -18.374 -1.398 1.00 0.00 C ATOM 1195 O LYS A 72 -6.872 -19.375 -1.566 1.00 0.00 O ATOM 1196 CB LYS A 72 -7.538 -16.416 -0.611 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.856 -17.068 -1.001 1.00 0.00 C ATOM 1198 CD LYS A 72 -9.531 -16.322 -2.141 1.00 0.00 C ATOM 1199 CE LYS A 72 -8.913 -16.680 -3.483 1.00 0.00 C ATOM 1200 NZ LYS A 72 -9.540 -15.924 -4.602 1.00 0.00 N ATOM 0 H LYS A 72 -5.048 -15.860 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.790 -17.994 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.708 -15.750 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.190 -15.798 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.678 -18.102 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.520 -17.093 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.595 -16.560 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.447 -15.248 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.844 -16.471 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.024 -17.750 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.091 -16.196 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.556 -16.143 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.412 -14.904 -4.446 1.00 0.00 H new ATOM 1214 N SER A 73 -5.150 -18.077 -2.176 1.00 0.00 N ATOM 1215 CA SER A 73 -4.775 -18.934 -3.282 1.00 0.00 C ATOM 1216 C SER A 73 -3.884 -20.043 -2.759 1.00 0.00 C ATOM 1217 O SER A 73 -3.981 -21.193 -3.186 1.00 0.00 O ATOM 1218 CB SER A 73 -4.037 -18.142 -4.353 1.00 0.00 C ATOM 1219 OG SER A 73 -4.929 -17.342 -5.108 1.00 0.00 O ATOM 0 H SER A 73 -4.563 -17.251 -2.060 1.00 0.00 H new ATOM 0 HA SER A 73 -5.675 -19.354 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.284 -17.508 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.509 -18.827 -5.016 1.00 0.00 H new ATOM 0 HG SER A 73 -4.725 -16.395 -4.960 1.00 0.00 H new ATOM 1225 N GLU A 74 -3.014 -19.683 -1.817 1.00 0.00 N ATOM 1226 CA GLU A 74 -2.104 -20.651 -1.222 1.00 0.00 C ATOM 1227 C GLU A 74 -2.750 -21.358 -0.032 1.00 0.00 C ATOM 1228 O GLU A 74 -2.635 -22.577 0.105 1.00 0.00 O ATOM 1229 CB GLU A 74 -0.802 -19.977 -0.780 1.00 0.00 C ATOM 1230 CG GLU A 74 -0.075 -19.259 -1.906 1.00 0.00 C ATOM 1231 CD GLU A 74 1.028 -18.348 -1.401 1.00 0.00 C ATOM 1232 OE1 GLU A 74 1.381 -18.447 -0.207 1.00 0.00 O ATOM 1233 OE2 GLU A 74 1.537 -17.534 -2.200 1.00 0.00 O ATOM 0 H GLU A 74 -2.923 -18.734 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.875 -21.395 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.024 -19.262 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.140 -20.730 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.351 -19.996 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.792 -18.672 -2.480 1.00 0.00 H new ATOM 1240 N ARG A 75 -3.431 -20.601 0.830 1.00 0.00 N ATOM 1241 CA ARG A 75 -4.081 -21.193 1.993 1.00 0.00 C ATOM 1242 C ARG A 75 -5.518 -21.581 1.675 1.00 0.00 C ATOM 1243 O ARG A 75 -6.030 -22.573 2.193 1.00 0.00 O ATOM 1244 CB ARG A 75 -4.043 -20.236 3.188 1.00 0.00 C ATOM 1245 CG ARG A 75 -3.699 -20.919 4.502 1.00 0.00 C ATOM 1246 CD ARG A 75 -4.758 -20.660 5.562 1.00 0.00 C ATOM 1247 NE ARG A 75 -4.565 -19.373 6.227 1.00 0.00 N ATOM 1248 CZ ARG A 75 -5.107 -19.056 7.402 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -5.872 -19.929 8.046 1.00 0.00 N ATOM 1250 NH2 ARG A 75 -4.880 -17.863 7.935 1.00 0.00 N ATOM 0 H ARG A 75 -3.544 -19.591 0.745 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.530 -22.096 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.311 -19.452 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.013 -19.749 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.601 -21.992 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.733 -20.560 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.746 -20.685 5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.732 -21.459 6.303 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.981 -18.676 5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.048 -20.849 7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.284 -19.680 8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.291 -17.189 7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.294 -17.619 8.835 1.00 0.00 H new ATOM 1264 N ALA A 76 -6.166 -20.793 0.818 1.00 0.00 N ATOM 1265 CA ALA A 76 -7.553 -21.057 0.435 1.00 0.00 C ATOM 1266 C ALA A 76 -8.410 -21.429 1.643 1.00 0.00 C ATOM 1267 O ALA A 76 -8.014 -21.082 2.777 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.609 -22.160 -0.612 1.00 0.00 C ATOM 1269 OXT ALA A 76 -9.468 -22.061 1.446 1.00 0.00 O ATOM 0 H ALA A 76 -5.755 -19.970 0.377 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.961 -20.140 0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.647 -22.347 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.048 -21.853 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.172 -23.072 -0.204 1.00 0.00 H new