USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 16 TYR OH : rot 1:sc= -0.0175 USER MOD Set 1.2: A 80 THR OG1 : rot 54:sc= 1.25 USER MOD Set 2.1: A 72 LYS NZ :NH3+ 165:sc= 0.0803 (180deg=0) USER MOD Set 2.2: A 73 ASN : amide:sc= 0.102 K(o=0.18,f=-0.44) USER MOD Single : A 9 MET CE :methyl 142:sc= -0.841 (180deg=-3.35!) USER MOD Single : A 20 ASN :FLIP amide:sc= 0.418 F(o=-0.98,f=0.42) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.174 F(o=-1.2,f=-0.17) USER MOD Single : A 40 ASN : amide:sc= 0.0135 X(o=0.014,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.307 F(o=-2.6!,f=-0.31) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -132:sc= -3.84! (180deg=-9.21!) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -5.24! (180deg=-5.48!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.96! C(o=-3!,f=-2.9!) USER MOD Single : A 74 ASN : amide:sc= -6.72! C(o=-6.7!,f=-12!) USER MOD Single : A 75 SER OG : rot 40:sc= 0.718 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 7.365 -4.826 17.344 1.00 0.00 N ATOM 67 CA ARG A 8 8.510 -4.430 16.533 1.00 0.00 C ATOM 68 C ARG A 8 8.056 -3.739 15.251 1.00 0.00 C ATOM 69 O ARG A 8 6.885 -3.810 14.878 1.00 0.00 O ATOM 70 CB ARG A 8 9.366 -5.651 16.191 1.00 0.00 C ATOM 71 CG ARG A 8 8.652 -6.670 15.318 1.00 0.00 C ATOM 72 CD ARG A 8 9.407 -7.989 15.269 1.00 0.00 C ATOM 73 NE ARG A 8 9.356 -8.696 16.546 1.00 0.00 N ATOM 74 CZ ARG A 8 8.251 -9.245 17.038 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.112 -9.168 16.365 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.285 -9.872 18.207 1.00 0.00 N ATOM 0 HA ARG A 8 9.107 -3.726 17.112 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.271 -5.319 15.681 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.680 -6.134 17.116 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.646 -6.839 15.703 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.544 -6.274 14.308 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.984 -8.620 14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.446 -7.802 14.999 1.00 0.00 H new ATOM 0 HE ARG A 8 10.216 -8.772 17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.082 -8.686 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.265 -9.591 16.745 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.160 -9.932 18.728 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.436 -10.293 18.585 1.00 0.00 H new ATOM 90 N MET A 9 8.989 -3.070 14.582 1.00 0.00 N ATOM 91 CA MET A 9 8.684 -2.367 13.342 1.00 0.00 C ATOM 92 C MET A 9 8.875 -3.282 12.136 1.00 0.00 C ATOM 93 O MET A 9 9.828 -4.060 12.080 1.00 0.00 O ATOM 94 CB MET A 9 9.571 -1.128 13.201 1.00 0.00 C ATOM 95 CG MET A 9 9.451 -0.160 14.367 1.00 0.00 C ATOM 96 SD MET A 9 8.109 1.025 14.151 1.00 0.00 S ATOM 97 CE MET A 9 6.694 0.017 14.588 1.00 0.00 C ATOM 0 H MET A 9 9.963 -3.000 14.878 1.00 0.00 H new ATOM 0 HA MET A 9 7.640 -2.056 13.378 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.610 -1.444 13.107 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.311 -0.608 12.279 1.00 0.00 H new ATOM 0 HG2 MET A 9 9.289 -0.723 15.286 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.391 0.379 14.485 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.976 0.620 15.144 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.224 -0.363 13.681 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.020 -0.820 15.205 1.00 0.00 H new ATOM 107 N LEU A 10 7.964 -3.184 11.175 1.00 0.00 N ATOM 108 CA LEU A 10 8.032 -4.004 9.970 1.00 0.00 C ATOM 109 C LEU A 10 8.325 -3.146 8.743 1.00 0.00 C ATOM 110 O LEU A 10 7.531 -2.279 8.376 1.00 0.00 O ATOM 111 CB LEU A 10 6.719 -4.765 9.772 1.00 0.00 C ATOM 112 CG LEU A 10 6.409 -5.848 10.806 1.00 0.00 C ATOM 113 CD1 LEU A 10 5.014 -6.412 10.586 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.451 -6.956 10.747 1.00 0.00 C ATOM 0 H LEU A 10 7.169 -2.545 11.206 1.00 0.00 H new ATOM 0 HA LEU A 10 8.845 -4.720 10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.901 -4.045 9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.735 -5.227 8.785 1.00 0.00 H new ATOM 0 HG LEU A 10 6.444 -5.397 11.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.811 -7.181 11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.279 -5.612 10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.951 -6.847 9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.214 -7.718 11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.449 -7.405 9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.437 -6.540 10.955 1.00 0.00 H new ATOM 126 N ASP A 11 9.467 -3.395 8.113 1.00 0.00 N ATOM 127 CA ASP A 11 9.864 -2.647 6.926 1.00 0.00 C ATOM 128 C ASP A 11 9.144 -3.172 5.688 1.00 0.00 C ATOM 129 O ASP A 11 9.402 -4.286 5.232 1.00 0.00 O ATOM 130 CB ASP A 11 11.378 -2.733 6.725 1.00 0.00 C ATOM 131 CG ASP A 11 11.870 -1.812 5.626 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.596 -2.101 4.443 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.529 -0.801 5.950 1.00 0.00 O ATOM 0 H ASP A 11 10.134 -4.109 8.404 1.00 0.00 H new ATOM 0 HA ASP A 11 9.584 -1.604 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.880 -2.480 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.652 -3.760 6.484 1.00 0.00 H new ATOM 138 N PHE A 12 8.239 -2.362 5.148 1.00 0.00 N ATOM 139 CA PHE A 12 7.479 -2.745 3.964 1.00 0.00 C ATOM 140 C PHE A 12 7.845 -1.863 2.774 1.00 0.00 C ATOM 141 O PHE A 12 7.444 -0.702 2.702 1.00 0.00 O ATOM 142 CB PHE A 12 5.977 -2.648 4.242 1.00 0.00 C ATOM 143 CG PHE A 12 5.446 -3.786 5.067 1.00 0.00 C ATOM 144 CD1 PHE A 12 5.085 -4.983 4.469 1.00 0.00 C ATOM 145 CD2 PHE A 12 5.306 -3.658 6.439 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.596 -6.031 5.225 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.818 -4.703 7.200 1.00 0.00 C ATOM 148 CZ PHE A 12 4.461 -5.891 6.592 1.00 0.00 C ATOM 0 H PHE A 12 8.014 -1.436 5.512 1.00 0.00 H new ATOM 0 HA PHE A 12 7.730 -3.777 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.771 -1.709 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.441 -2.616 3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.187 -5.098 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.581 -2.731 6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.320 -6.959 4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.716 -4.591 8.269 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.077 -6.708 7.185 1.00 0.00 H new ATOM 158 N ARG A 13 8.611 -2.424 1.843 1.00 0.00 N ATOM 159 CA ARG A 13 9.033 -1.689 0.657 1.00 0.00 C ATOM 160 C ARG A 13 8.011 -1.835 -0.466 1.00 0.00 C ATOM 161 O ARG A 13 7.888 -2.899 -1.074 1.00 0.00 O ATOM 162 CB ARG A 13 10.401 -2.185 0.184 1.00 0.00 C ATOM 163 CG ARG A 13 11.088 -1.241 -0.789 1.00 0.00 C ATOM 164 CD ARG A 13 11.730 -0.067 -0.066 1.00 0.00 C ATOM 165 NE ARG A 13 13.014 -0.426 0.529 1.00 0.00 N ATOM 166 CZ ARG A 13 14.105 -0.690 -0.182 1.00 0.00 C ATOM 167 NH1 ARG A 13 14.067 -0.635 -1.506 1.00 0.00 N ATOM 168 NH2 ARG A 13 15.237 -1.010 0.432 1.00 0.00 N ATOM 0 H ARG A 13 8.951 -3.384 1.888 1.00 0.00 H new ATOM 0 HA ARG A 13 9.108 -0.634 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.045 -2.331 1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.281 -3.159 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.849 -1.785 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.362 -0.871 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.873 0.756 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.057 0.291 0.713 1.00 0.00 H new ATOM 0 HE ARG A 13 13.077 -0.477 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.199 -0.389 -1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.906 -0.838 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.270 -1.053 1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.074 -1.213 -0.115 1.00 0.00 H new ATOM 182 N VAL A 14 7.277 -0.760 -0.736 1.00 0.00 N ATOM 183 CA VAL A 14 6.266 -0.768 -1.786 1.00 0.00 C ATOM 184 C VAL A 14 6.813 -0.177 -3.081 1.00 0.00 C ATOM 185 O VAL A 14 6.939 1.039 -3.214 1.00 0.00 O ATOM 186 CB VAL A 14 5.012 0.022 -1.364 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.969 -0.001 -2.470 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.441 -0.538 -0.070 1.00 0.00 C ATOM 0 H VAL A 14 7.364 0.128 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 14 5.992 -1.810 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 14 5.299 1.059 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.091 0.562 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.384 0.450 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.683 -1.032 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.556 0.031 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.169 -1.583 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.189 -0.464 0.720 1.00 0.00 H new ATOM 198 N GLU A 15 7.135 -1.048 -4.032 1.00 0.00 N ATOM 199 CA GLU A 15 7.669 -0.612 -5.317 1.00 0.00 C ATOM 200 C GLU A 15 6.550 -0.139 -6.239 1.00 0.00 C ATOM 201 O GLU A 15 5.808 -0.947 -6.797 1.00 0.00 O ATOM 202 CB GLU A 15 8.448 -1.748 -5.983 1.00 0.00 C ATOM 203 CG GLU A 15 9.184 -1.325 -7.243 1.00 0.00 C ATOM 204 CD GLU A 15 9.637 -2.506 -8.079 1.00 0.00 C ATOM 205 OE1 GLU A 15 8.821 -3.424 -8.301 1.00 0.00 O ATOM 206 OE2 GLU A 15 10.808 -2.511 -8.512 1.00 0.00 O ATOM 0 H GLU A 15 7.036 -2.059 -3.937 1.00 0.00 H new ATOM 0 HA GLU A 15 8.344 0.224 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.168 -2.150 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.758 -2.555 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.533 -0.689 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.052 -0.725 -6.968 1.00 0.00 H new ATOM 213 N TYR A 16 6.434 1.175 -6.393 1.00 0.00 N ATOM 214 CA TYR A 16 5.403 1.757 -7.245 1.00 0.00 C ATOM 215 C TYR A 16 6.023 2.448 -8.456 1.00 0.00 C ATOM 216 O TYR A 16 7.182 2.861 -8.423 1.00 0.00 O ATOM 217 CB TYR A 16 4.559 2.755 -6.451 1.00 0.00 C ATOM 218 CG TYR A 16 3.470 3.413 -7.268 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.581 2.652 -8.018 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.330 4.795 -7.290 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.586 3.249 -8.767 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.336 5.400 -8.035 1.00 0.00 C ATOM 223 CZ TYR A 16 1.467 4.623 -8.772 1.00 0.00 C ATOM 224 OH TYR A 16 0.475 5.221 -9.515 1.00 0.00 O ATOM 0 H TYR A 16 7.041 1.858 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 16 4.762 0.950 -7.599 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.105 2.241 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.212 3.527 -6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.670 1.576 -8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.010 5.407 -6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.905 2.643 -9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.240 6.476 -8.040 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.061 4.532 -9.960 1.00 0.00 H new ATOM 234 N ARG A 17 5.241 2.570 -9.524 1.00 0.00 N ATOM 235 CA ARG A 17 5.712 3.210 -10.746 1.00 0.00 C ATOM 236 C ARG A 17 6.657 4.365 -10.426 1.00 0.00 C ATOM 237 O ARG A 17 7.843 4.318 -10.753 1.00 0.00 O ATOM 238 CB ARG A 17 4.528 3.720 -11.569 1.00 0.00 C ATOM 239 CG ARG A 17 3.378 2.730 -11.659 1.00 0.00 C ATOM 240 CD ARG A 17 3.867 1.340 -12.034 1.00 0.00 C ATOM 241 NE ARG A 17 4.222 1.249 -13.448 1.00 0.00 N ATOM 242 CZ ARG A 17 4.527 0.108 -14.057 1.00 0.00 C ATOM 243 NH1 ARG A 17 4.520 -1.031 -13.379 1.00 0.00 N ATOM 244 NH2 ARG A 17 4.840 0.106 -15.346 1.00 0.00 N ATOM 0 H ARG A 17 4.279 2.234 -9.567 1.00 0.00 H new ATOM 0 HA ARG A 17 6.258 2.467 -11.328 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.164 4.648 -11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.872 3.958 -12.576 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.857 2.688 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.657 3.075 -12.400 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.734 1.084 -11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.091 0.609 -11.807 1.00 0.00 H new ATOM 0 HE ARG A 17 4.237 2.108 -13.998 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.280 -1.033 -12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.754 -1.906 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.847 0.981 -15.871 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.074 -0.770 -15.813 1.00 0.00 H new ATOM 258 N ASP A 18 6.124 5.399 -9.785 1.00 0.00 N ATOM 259 CA ASP A 18 6.919 6.565 -9.421 1.00 0.00 C ATOM 260 C ASP A 18 8.225 6.145 -8.753 1.00 0.00 C ATOM 261 O ASP A 18 9.311 6.470 -9.232 1.00 0.00 O ATOM 262 CB ASP A 18 6.125 7.479 -8.486 1.00 0.00 C ATOM 263 CG ASP A 18 6.922 8.691 -8.045 1.00 0.00 C ATOM 264 OD1 ASP A 18 7.682 9.234 -8.873 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.787 9.095 -6.871 1.00 0.00 O ATOM 0 H ASP A 18 5.144 5.453 -9.507 1.00 0.00 H new ATOM 0 HA ASP A 18 7.157 7.111 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.217 7.809 -8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.814 6.913 -7.608 1.00 0.00 H new ATOM 270 N ARG A 19 8.110 5.423 -7.643 1.00 0.00 N ATOM 271 CA ARG A 19 9.282 4.961 -6.908 1.00 0.00 C ATOM 272 C ARG A 19 8.875 4.048 -5.755 1.00 0.00 C ATOM 273 O ARG A 19 7.688 3.854 -5.493 1.00 0.00 O ATOM 274 CB ARG A 19 10.077 6.153 -6.373 1.00 0.00 C ATOM 275 CG ARG A 19 9.387 6.882 -5.232 1.00 0.00 C ATOM 276 CD ARG A 19 9.952 8.282 -5.044 1.00 0.00 C ATOM 277 NE ARG A 19 11.233 8.265 -4.343 1.00 0.00 N ATOM 278 CZ ARG A 19 11.373 7.898 -3.074 1.00 0.00 C ATOM 279 NH1 ARG A 19 10.315 7.519 -2.370 1.00 0.00 N ATOM 280 NH2 ARG A 19 12.572 7.910 -2.507 1.00 0.00 N ATOM 0 H ARG A 19 7.218 5.145 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 19 9.910 4.393 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.053 5.805 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.255 6.856 -7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.317 6.944 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.507 6.313 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.078 8.756 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.240 8.888 -4.484 1.00 0.00 H new ATOM 0 HE ARG A 19 12.067 8.551 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.391 7.509 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.425 7.238 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.388 8.201 -3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.678 7.628 -1.533 1.00 0.00 H new ATOM 294 N ASN A 20 9.868 3.490 -5.070 1.00 0.00 N ATOM 295 CA ASN A 20 9.613 2.596 -3.946 1.00 0.00 C ATOM 296 C ASN A 20 9.662 3.357 -2.625 1.00 0.00 C ATOM 297 O ASN A 20 10.684 3.945 -2.272 1.00 0.00 O ATOM 298 CB ASN A 20 10.636 1.458 -3.930 1.00 0.00 C ATOM 299 CG ASN A 20 12.047 1.946 -4.196 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.656 1.440 -5.263 1.00 0.00 O flip ATOM 301 ND2 ASN A 20 12.583 2.767 -3.452 1.00 0.00 N flip ATOM 0 H ASN A 20 10.856 3.641 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 20 8.614 2.176 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.604 0.958 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.363 0.717 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.077 3.129 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.533 3.085 -3.644 1.00 0.00 H new ATOM 308 N VAL A 21 8.549 3.341 -1.897 1.00 0.00 N ATOM 309 CA VAL A 21 8.465 4.028 -0.614 1.00 0.00 C ATOM 310 C VAL A 21 8.604 3.047 0.545 1.00 0.00 C ATOM 311 O VAL A 21 8.203 1.887 0.441 1.00 0.00 O ATOM 312 CB VAL A 21 7.134 4.789 -0.470 1.00 0.00 C ATOM 313 CG1 VAL A 21 5.964 3.817 -0.439 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.149 5.659 0.777 1.00 0.00 C ATOM 0 H VAL A 21 7.694 2.860 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 21 9.288 4.742 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 21 7.012 5.439 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.032 4.373 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.944 3.242 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.077 3.139 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.200 6.189 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.294 5.032 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.963 6.381 0.707 1.00 0.00 H new ATOM 324 N ASP A 22 9.175 3.519 1.647 1.00 0.00 N ATOM 325 CA ASP A 22 9.366 2.683 2.827 1.00 0.00 C ATOM 326 C ASP A 22 8.236 2.893 3.830 1.00 0.00 C ATOM 327 O ASP A 22 7.896 4.026 4.171 1.00 0.00 O ATOM 328 CB ASP A 22 10.712 2.993 3.485 1.00 0.00 C ATOM 329 CG ASP A 22 10.765 2.546 4.933 1.00 0.00 C ATOM 330 OD1 ASP A 22 10.112 1.535 5.266 1.00 0.00 O ATOM 331 OD2 ASP A 22 11.460 3.207 5.732 1.00 0.00 O ATOM 0 H ASP A 22 9.514 4.476 1.748 1.00 0.00 H new ATOM 0 HA ASP A 22 9.357 1.640 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.508 2.501 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.901 4.065 3.432 1.00 0.00 H new ATOM 336 N VAL A 23 7.656 1.792 4.299 1.00 0.00 N ATOM 337 CA VAL A 23 6.564 1.855 5.263 1.00 0.00 C ATOM 338 C VAL A 23 6.922 1.116 6.547 1.00 0.00 C ATOM 339 O VAL A 23 7.521 0.042 6.512 1.00 0.00 O ATOM 340 CB VAL A 23 5.269 1.256 4.683 1.00 0.00 C ATOM 341 CG1 VAL A 23 4.152 1.299 5.714 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.863 1.992 3.415 1.00 0.00 C ATOM 0 H VAL A 23 7.924 0.846 4.027 1.00 0.00 H new ATOM 0 HA VAL A 23 6.400 2.909 5.487 1.00 0.00 H new ATOM 0 HB VAL A 23 5.455 0.213 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.245 0.872 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.445 0.724 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.964 2.333 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.946 1.556 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.695 3.044 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.657 1.904 2.673 1.00 0.00 H new ATOM 352 N VAL A 24 6.549 1.700 7.682 1.00 0.00 N ATOM 353 CA VAL A 24 6.829 1.097 8.980 1.00 0.00 C ATOM 354 C VAL A 24 5.588 1.098 9.866 1.00 0.00 C ATOM 355 O VAL A 24 5.171 2.144 10.366 1.00 0.00 O ATOM 356 CB VAL A 24 7.967 1.835 9.708 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.946 1.515 11.195 1.00 0.00 C ATOM 358 CG2 VAL A 24 9.313 1.476 9.096 1.00 0.00 C ATOM 0 H VAL A 24 6.052 2.590 7.729 1.00 0.00 H new ATOM 0 HA VAL A 24 7.136 0.068 8.791 1.00 0.00 H new ATOM 0 HB VAL A 24 7.815 2.908 9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.758 2.046 11.693 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.993 1.828 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.073 0.442 11.338 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.106 2.007 9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.477 0.402 9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.322 1.762 8.044 1.00 0.00 H new ATOM 368 N LEU A 25 5.003 -0.079 10.056 1.00 0.00 N ATOM 369 CA LEU A 25 3.809 -0.214 10.883 1.00 0.00 C ATOM 370 C LEU A 25 3.867 -1.489 11.719 1.00 0.00 C ATOM 371 O LEU A 25 4.289 -2.539 11.236 1.00 0.00 O ATOM 372 CB LEU A 25 2.555 -0.222 10.007 1.00 0.00 C ATOM 373 CG LEU A 25 2.185 -1.566 9.378 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.795 -1.502 8.763 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.215 -1.967 8.332 1.00 0.00 C ATOM 0 H LEU A 25 5.336 -0.953 9.649 1.00 0.00 H new ATOM 0 HA LEU A 25 3.767 0.640 11.559 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.713 0.119 10.609 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.690 0.506 9.207 1.00 0.00 H new ATOM 0 HG LEU A 25 2.179 -2.323 10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.548 -2.467 8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.066 -1.261 9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.774 -0.732 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.936 -2.926 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.253 -1.209 7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.195 -2.054 8.801 1.00 0.00 H new ATOM 387 N GLU A 26 3.438 -1.389 12.973 1.00 0.00 N ATOM 388 CA GLU A 26 3.440 -2.535 13.874 1.00 0.00 C ATOM 389 C GLU A 26 2.654 -3.699 13.277 1.00 0.00 C ATOM 390 O GLU A 26 1.796 -3.505 12.415 1.00 0.00 O ATOM 391 CB GLU A 26 2.846 -2.147 15.230 1.00 0.00 C ATOM 392 CG GLU A 26 3.120 -3.162 16.327 1.00 0.00 C ATOM 393 CD GLU A 26 3.108 -2.542 17.711 1.00 0.00 C ATOM 394 OE1 GLU A 26 3.794 -1.517 17.907 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.414 -3.082 18.598 1.00 0.00 O ATOM 0 H GLU A 26 3.085 -0.527 13.388 1.00 0.00 H new ATOM 0 HA GLU A 26 4.474 -2.851 14.015 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.250 -1.181 15.531 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.768 -2.022 15.123 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.371 -3.953 16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.089 -3.630 16.151 1.00 0.00 H new ATOM 402 N ASP A 27 2.954 -4.907 13.740 1.00 0.00 N ATOM 403 CA ASP A 27 2.277 -6.103 13.252 1.00 0.00 C ATOM 404 C ASP A 27 0.850 -6.175 13.788 1.00 0.00 C ATOM 405 O ASP A 27 0.124 -7.134 13.524 1.00 0.00 O ATOM 406 CB ASP A 27 3.052 -7.357 13.660 1.00 0.00 C ATOM 407 CG ASP A 27 3.435 -7.349 15.127 1.00 0.00 C ATOM 408 OD1 ASP A 27 2.562 -7.043 15.966 1.00 0.00 O ATOM 409 OD2 ASP A 27 4.607 -7.648 15.436 1.00 0.00 O ATOM 0 H ASP A 27 3.662 -5.084 14.453 1.00 0.00 H new ATOM 0 HA ASP A 27 2.236 -6.049 12.164 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.447 -8.239 13.450 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.953 -7.437 13.053 1.00 0.00 H new ATOM 414 N THR A 28 0.454 -5.156 14.543 1.00 0.00 N ATOM 415 CA THR A 28 -0.884 -5.104 15.118 1.00 0.00 C ATOM 416 C THR A 28 -1.863 -4.420 14.171 1.00 0.00 C ATOM 417 O THR A 28 -3.079 -4.525 14.338 1.00 0.00 O ATOM 418 CB THR A 28 -0.888 -4.361 16.467 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.496 -2.998 16.277 1.00 0.00 O ATOM 420 CG2 THR A 28 0.053 -5.032 17.457 1.00 0.00 C ATOM 0 H THR A 28 1.042 -4.354 14.771 1.00 0.00 H new ATOM 0 HA THR A 28 -1.199 -6.135 15.279 1.00 0.00 H new ATOM 0 HB THR A 28 -1.900 -4.394 16.872 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.503 -2.532 17.139 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.033 -4.490 18.402 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.266 -6.061 17.622 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.067 -5.027 17.056 1.00 0.00 H new ATOM 428 N CYS A 29 -1.327 -3.721 13.177 1.00 0.00 N ATOM 429 CA CYS A 29 -2.155 -3.019 12.203 1.00 0.00 C ATOM 430 C CYS A 29 -2.768 -3.997 11.206 1.00 0.00 C ATOM 431 O CYS A 29 -2.235 -5.082 10.975 1.00 0.00 O ATOM 432 CB CYS A 29 -1.327 -1.968 11.462 1.00 0.00 C ATOM 433 SG CYS A 29 -1.216 -0.379 12.316 1.00 0.00 S ATOM 0 H CYS A 29 -0.323 -3.625 13.024 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.963 -2.522 12.740 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.320 -2.357 11.308 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.761 -1.808 10.475 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.494 0.442 11.613 1.00 0.00 H new ATOM 439 N THR A 30 -3.894 -3.605 10.617 1.00 0.00 N ATOM 440 CA THR A 30 -4.583 -4.447 9.647 1.00 0.00 C ATOM 441 C THR A 30 -3.977 -4.293 8.257 1.00 0.00 C ATOM 442 O THR A 30 -3.528 -3.210 7.881 1.00 0.00 O ATOM 443 CB THR A 30 -6.085 -4.114 9.579 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.285 -2.711 9.786 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.862 -4.902 10.624 1.00 0.00 C ATOM 0 H THR A 30 -4.348 -2.709 10.795 1.00 0.00 H new ATOM 0 HA THR A 30 -4.462 -5.477 9.982 1.00 0.00 H new ATOM 0 HB THR A 30 -6.452 -4.391 8.591 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.242 -2.507 9.740 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.920 -4.650 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.731 -5.969 10.446 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.492 -4.651 11.618 1.00 0.00 H new ATOM 453 N VAL A 31 -3.967 -5.383 7.496 1.00 0.00 N ATOM 454 CA VAL A 31 -3.417 -5.368 6.146 1.00 0.00 C ATOM 455 C VAL A 31 -4.017 -4.235 5.321 1.00 0.00 C ATOM 456 O VAL A 31 -3.408 -3.761 4.362 1.00 0.00 O ATOM 457 CB VAL A 31 -3.669 -6.704 5.422 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.825 -7.811 6.036 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.147 -7.063 5.466 1.00 0.00 C ATOM 0 H VAL A 31 -4.334 -6.288 7.792 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.342 -5.213 6.244 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.376 -6.593 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.016 -8.747 5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.769 -7.555 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.084 -7.925 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.307 -8.010 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.468 -7.157 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.726 -6.280 4.976 1.00 0.00 H new ATOM 469 N GLY A 32 -5.216 -3.804 5.701 1.00 0.00 N ATOM 470 CA GLY A 32 -5.879 -2.729 4.986 1.00 0.00 C ATOM 471 C GLY A 32 -5.205 -1.388 5.200 1.00 0.00 C ATOM 472 O GLY A 32 -5.299 -0.497 4.356 1.00 0.00 O ATOM 0 H GLY A 32 -5.740 -4.180 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.892 -2.959 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.917 -2.666 5.312 1.00 0.00 H new ATOM 476 N GLU A 33 -4.524 -1.244 6.333 1.00 0.00 N ATOM 477 CA GLU A 33 -3.834 0.000 6.656 1.00 0.00 C ATOM 478 C GLU A 33 -2.813 0.351 5.577 1.00 0.00 C ATOM 479 O GLU A 33 -2.896 1.408 4.951 1.00 0.00 O ATOM 480 CB GLU A 33 -3.138 -0.115 8.014 1.00 0.00 C ATOM 481 CG GLU A 33 -4.046 0.199 9.191 1.00 0.00 C ATOM 482 CD GLU A 33 -4.121 1.684 9.490 1.00 0.00 C ATOM 483 OE1 GLU A 33 -4.925 2.381 8.837 1.00 0.00 O ATOM 484 OE2 GLU A 33 -3.375 2.148 10.378 1.00 0.00 O ATOM 0 H GLU A 33 -4.435 -1.972 7.042 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.577 0.797 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.746 -1.126 8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.284 0.562 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.048 -0.177 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.685 -0.328 10.074 1.00 0.00 H new ATOM 491 N ILE A 34 -1.852 -0.541 5.367 1.00 0.00 N ATOM 492 CA ILE A 34 -0.816 -0.326 4.365 1.00 0.00 C ATOM 493 C ILE A 34 -1.368 0.421 3.155 1.00 0.00 C ATOM 494 O ILE A 34 -0.737 1.344 2.640 1.00 0.00 O ATOM 495 CB ILE A 34 -0.201 -1.658 3.895 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.250 -2.489 5.098 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.967 -1.400 2.955 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.028 -3.729 4.718 1.00 0.00 C ATOM 0 H ILE A 34 -1.769 -1.420 5.878 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.040 0.276 4.838 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.961 -2.221 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.867 -1.868 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.626 -2.783 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.391 -2.351 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.618 -0.844 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.730 -0.820 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.315 -4.269 5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.407 -4.371 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.923 -3.442 4.166 1.00 0.00 H new ATOM 510 N LYS A 35 -2.551 0.016 2.706 1.00 0.00 N ATOM 511 CA LYS A 35 -3.192 0.647 1.559 1.00 0.00 C ATOM 512 C LYS A 35 -3.394 2.140 1.801 1.00 0.00 C ATOM 513 O LYS A 35 -2.821 2.974 1.101 1.00 0.00 O ATOM 514 CB LYS A 35 -4.539 -0.020 1.270 1.00 0.00 C ATOM 515 CG LYS A 35 -4.414 -1.376 0.598 1.00 0.00 C ATOM 516 CD LYS A 35 -5.771 -1.922 0.187 1.00 0.00 C ATOM 517 CE LYS A 35 -5.675 -2.759 -1.079 1.00 0.00 C ATOM 518 NZ LYS A 35 -6.928 -3.523 -1.335 1.00 0.00 N ATOM 0 H LYS A 35 -3.086 -0.748 3.120 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.539 0.522 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.085 -0.137 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.132 0.638 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.774 -1.290 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.930 -2.077 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.180 -2.528 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.463 -1.096 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.466 -2.109 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.838 -3.452 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.823 -4.081 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.115 -4.162 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.723 -2.861 -1.442 1.00 0.00 H new ATOM 532 N GLN A 36 -4.209 2.468 2.798 1.00 0.00 N ATOM 533 CA GLN A 36 -4.484 3.860 3.133 1.00 0.00 C ATOM 534 C GLN A 36 -3.191 4.620 3.407 1.00 0.00 C ATOM 535 O GLN A 36 -3.019 5.754 2.958 1.00 0.00 O ATOM 536 CB GLN A 36 -5.406 3.941 4.351 1.00 0.00 C ATOM 537 CG GLN A 36 -6.252 5.203 4.390 1.00 0.00 C ATOM 538 CD GLN A 36 -7.268 5.260 3.266 1.00 0.00 C ATOM 539 OE1 GLN A 36 -6.944 6.000 2.212 1.00 0.00 O flip ATOM 540 NE2 GLN A 36 -8.332 4.646 3.344 1.00 0.00 N flip ATOM 0 H GLN A 36 -4.690 1.789 3.388 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.980 4.321 2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.064 3.072 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.803 3.890 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.771 5.258 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.600 6.075 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.540 4.089 4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.006 4.694 2.580 1.00 0.00 H new ATOM 549 N ILE A 37 -2.285 3.989 4.146 1.00 0.00 N ATOM 550 CA ILE A 37 -1.007 4.606 4.479 1.00 0.00 C ATOM 551 C ILE A 37 -0.310 5.135 3.230 1.00 0.00 C ATOM 552 O ILE A 37 0.218 6.248 3.225 1.00 0.00 O ATOM 553 CB ILE A 37 -0.072 3.613 5.194 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.556 3.360 6.623 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.356 4.139 5.197 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.157 2.216 7.309 1.00 0.00 C ATOM 0 H ILE A 37 -2.412 3.051 4.526 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.223 5.437 5.151 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.089 2.667 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.418 4.268 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.626 3.152 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.005 3.426 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.697 4.272 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.390 5.096 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.237 2.094 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.002 1.297 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.224 2.431 7.360 1.00 0.00 H new ATOM 568 N LEU A 38 -0.315 4.332 2.172 1.00 0.00 N ATOM 569 CA LEU A 38 0.316 4.720 0.915 1.00 0.00 C ATOM 570 C LEU A 38 -0.331 5.979 0.347 1.00 0.00 C ATOM 571 O LEU A 38 0.284 6.707 -0.431 1.00 0.00 O ATOM 572 CB LEU A 38 0.218 3.580 -0.100 1.00 0.00 C ATOM 573 CG LEU A 38 1.192 2.418 0.099 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.710 1.183 -0.646 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.589 2.809 -0.362 1.00 0.00 C ATOM 0 H LEU A 38 -0.749 3.409 2.159 1.00 0.00 H new ATOM 0 HA LEU A 38 1.366 4.932 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.798 3.185 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.375 3.993 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 38 1.234 2.182 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.416 0.367 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.270 0.891 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.638 1.405 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.269 1.970 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.563 3.072 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.937 3.665 0.216 1.00 0.00 H new ATOM 587 N GLU A 39 -1.575 6.229 0.743 1.00 0.00 N ATOM 588 CA GLU A 39 -2.305 7.401 0.274 1.00 0.00 C ATOM 589 C GLU A 39 -1.865 8.653 1.028 1.00 0.00 C ATOM 590 O GLU A 39 -2.097 9.774 0.578 1.00 0.00 O ATOM 591 CB GLU A 39 -3.811 7.193 0.442 1.00 0.00 C ATOM 592 CG GLU A 39 -4.646 8.360 -0.057 1.00 0.00 C ATOM 593 CD GLU A 39 -6.105 8.248 0.343 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.886 7.649 -0.426 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.465 8.758 1.424 1.00 0.00 O ATOM 0 H GLU A 39 -2.098 5.636 1.387 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.081 7.538 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.107 6.291 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.031 7.025 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.236 9.290 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.574 8.415 -1.143 1.00 0.00 H new ATOM 602 N ASN A 40 -1.231 8.452 2.178 1.00 0.00 N ATOM 603 CA ASN A 40 -0.760 9.564 2.996 1.00 0.00 C ATOM 604 C ASN A 40 0.683 9.920 2.652 1.00 0.00 C ATOM 605 O ASN A 40 1.220 10.914 3.139 1.00 0.00 O ATOM 606 CB ASN A 40 -0.870 9.213 4.482 1.00 0.00 C ATOM 607 CG ASN A 40 -2.305 9.211 4.971 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.855 10.254 5.322 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.919 8.033 4.995 1.00 0.00 N ATOM 0 H ASN A 40 -1.031 7.530 2.565 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.389 10.429 2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.429 8.231 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.291 9.929 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.886 7.968 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.424 7.193 4.695 1.00 0.00 H new ATOM 616 N GLU A 41 1.303 9.101 1.808 1.00 0.00 N ATOM 617 CA GLU A 41 2.684 9.330 1.399 1.00 0.00 C ATOM 618 C GLU A 41 2.780 9.509 -0.113 1.00 0.00 C ATOM 619 O GLU A 41 3.613 10.270 -0.608 1.00 0.00 O ATOM 620 CB GLU A 41 3.571 8.164 1.843 1.00 0.00 C ATOM 621 CG GLU A 41 3.483 7.865 3.330 1.00 0.00 C ATOM 622 CD GLU A 41 4.733 7.193 3.864 1.00 0.00 C ATOM 623 OE1 GLU A 41 5.683 7.913 4.233 1.00 0.00 O ATOM 624 OE2 GLU A 41 4.760 5.945 3.914 1.00 0.00 O ATOM 0 H GLU A 41 0.872 8.274 1.395 1.00 0.00 H new ATOM 0 HA GLU A 41 3.032 10.245 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.290 7.271 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.606 8.388 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.313 8.794 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.622 7.224 3.518 1.00 0.00 H new ATOM 631 N LEU A 42 1.924 8.803 -0.843 1.00 0.00 N ATOM 632 CA LEU A 42 1.911 8.883 -2.299 1.00 0.00 C ATOM 633 C LEU A 42 0.707 9.680 -2.791 1.00 0.00 C ATOM 634 O LEU A 42 0.619 10.025 -3.969 1.00 0.00 O ATOM 635 CB LEU A 42 1.890 7.479 -2.907 1.00 0.00 C ATOM 636 CG LEU A 42 2.993 6.528 -2.439 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.667 5.097 -2.836 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.338 6.950 -3.012 1.00 0.00 C ATOM 0 H LEU A 42 1.229 8.168 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 42 2.818 9.397 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.926 7.023 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.955 7.573 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 42 3.052 6.577 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.463 4.435 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.724 4.798 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.580 5.031 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.111 6.263 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.292 6.930 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.575 7.960 -2.677 1.00 0.00 H new ATOM 650 N GLN A 43 -0.215 9.971 -1.879 1.00 0.00 N ATOM 651 CA GLN A 43 -1.413 10.730 -2.221 1.00 0.00 C ATOM 652 C GLN A 43 -2.270 9.969 -3.227 1.00 0.00 C ATOM 653 O GLN A 43 -3.037 10.569 -3.982 1.00 0.00 O ATOM 654 CB GLN A 43 -1.031 12.098 -2.789 1.00 0.00 C ATOM 655 CG GLN A 43 0.177 12.723 -2.110 1.00 0.00 C ATOM 656 CD GLN A 43 0.078 12.690 -0.597 1.00 0.00 C ATOM 657 OE1 GLN A 43 0.966 11.934 0.038 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 -0.786 13.337 -0.006 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.156 9.693 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.995 10.873 -1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.826 11.995 -3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.881 12.773 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.078 12.196 -2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.281 13.756 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.448 13.905 -0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.840 13.305 1.012 1.00 0.00 H new ATOM 667 N ILE A 44 -2.136 8.647 -3.232 1.00 0.00 N ATOM 668 CA ILE A 44 -2.899 7.806 -4.145 1.00 0.00 C ATOM 669 C ILE A 44 -4.076 7.149 -3.433 1.00 0.00 C ATOM 670 O ILE A 44 -3.957 6.649 -2.315 1.00 0.00 O ATOM 671 CB ILE A 44 -2.016 6.711 -4.772 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.734 7.321 -5.340 1.00 0.00 C ATOM 673 CG2 ILE A 44 -2.783 5.970 -5.858 1.00 0.00 C ATOM 674 CD1 ILE A 44 0.226 6.297 -5.903 1.00 0.00 C ATOM 0 H ILE A 44 -1.506 8.136 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.273 8.456 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.742 5.997 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.996 8.031 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.231 7.885 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.146 5.199 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.670 5.507 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.083 6.673 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.112 6.802 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.518 5.601 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.259 5.749 -6.711 1.00 0.00 H new ATOM 686 N PRO A 45 -5.243 7.147 -4.096 1.00 0.00 N ATOM 687 CA PRO A 45 -6.465 6.552 -3.546 1.00 0.00 C ATOM 688 C PRO A 45 -6.389 5.031 -3.478 1.00 0.00 C ATOM 689 O PRO A 45 -6.035 4.372 -4.457 1.00 0.00 O ATOM 690 CB PRO A 45 -7.548 6.990 -4.535 1.00 0.00 C ATOM 691 CG PRO A 45 -6.822 7.220 -5.815 1.00 0.00 C ATOM 692 CD PRO A 45 -5.458 7.725 -5.433 1.00 0.00 C ATOM 0 HA PRO A 45 -6.649 6.873 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.315 6.224 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.050 7.896 -4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.749 6.299 -6.393 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.347 7.946 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.696 7.397 -6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.425 8.814 -5.410 1.00 0.00 H new ATOM 700 N VAL A 46 -6.723 4.477 -2.317 1.00 0.00 N ATOM 701 CA VAL A 46 -6.694 3.033 -2.122 1.00 0.00 C ATOM 702 C VAL A 46 -7.538 2.320 -3.172 1.00 0.00 C ATOM 703 O VAL A 46 -7.424 1.108 -3.356 1.00 0.00 O ATOM 704 CB VAL A 46 -7.204 2.645 -0.721 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.151 1.137 -0.531 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.394 3.354 0.355 1.00 0.00 C ATOM 0 H VAL A 46 -7.017 5.007 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.654 2.721 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.243 2.962 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.515 0.883 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.777 0.654 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.123 0.792 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.767 3.069 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.346 3.069 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.488 4.433 0.230 1.00 0.00 H new ATOM 716 N SER A 47 -8.385 3.080 -3.859 1.00 0.00 N ATOM 717 CA SER A 47 -9.251 2.520 -4.890 1.00 0.00 C ATOM 718 C SER A 47 -8.468 2.256 -6.173 1.00 0.00 C ATOM 719 O SER A 47 -8.770 1.323 -6.918 1.00 0.00 O ATOM 720 CB SER A 47 -10.416 3.469 -5.177 1.00 0.00 C ATOM 721 OG SER A 47 -11.378 3.423 -4.137 1.00 0.00 O ATOM 0 H SER A 47 -8.490 4.085 -3.720 1.00 0.00 H new ATOM 0 HA SER A 47 -9.645 1.572 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.042 4.487 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.885 3.199 -6.123 1.00 0.00 H new ATOM 0 HG SER A 47 -12.112 4.039 -4.343 1.00 0.00 H new ATOM 727 N LYS A 48 -7.460 3.084 -6.424 1.00 0.00 N ATOM 728 CA LYS A 48 -6.631 2.941 -7.615 1.00 0.00 C ATOM 729 C LYS A 48 -5.391 2.105 -7.318 1.00 0.00 C ATOM 730 O LYS A 48 -4.640 1.746 -8.225 1.00 0.00 O ATOM 731 CB LYS A 48 -6.217 4.317 -8.141 1.00 0.00 C ATOM 732 CG LYS A 48 -7.390 5.243 -8.412 1.00 0.00 C ATOM 733 CD LYS A 48 -7.971 5.018 -9.797 1.00 0.00 C ATOM 734 CE LYS A 48 -9.138 5.953 -10.072 1.00 0.00 C ATOM 735 NZ LYS A 48 -8.679 7.304 -10.498 1.00 0.00 N ATOM 0 H LYS A 48 -7.197 3.862 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.219 2.429 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.553 4.789 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.646 4.188 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.164 5.081 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.066 6.279 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.195 5.172 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.303 3.984 -9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.772 5.524 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.750 6.044 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.505 7.911 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.095 7.725 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.117 7.221 -11.369 1.00 0.00 H new ATOM 749 N MET A 49 -5.183 1.795 -6.042 1.00 0.00 N ATOM 750 CA MET A 49 -4.034 0.998 -5.627 1.00 0.00 C ATOM 751 C MET A 49 -4.426 -0.465 -5.444 1.00 0.00 C ATOM 752 O MET A 49 -5.501 -0.770 -4.926 1.00 0.00 O ATOM 753 CB MET A 49 -3.448 1.548 -4.325 1.00 0.00 C ATOM 754 CG MET A 49 -3.134 3.035 -4.381 1.00 0.00 C ATOM 755 SD MET A 49 -1.730 3.487 -3.343 1.00 0.00 S ATOM 756 CE MET A 49 -2.557 4.359 -2.016 1.00 0.00 C ATOM 0 H MET A 49 -5.795 2.083 -5.278 1.00 0.00 H new ATOM 0 HA MET A 49 -3.279 1.059 -6.411 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.151 1.364 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.536 1.001 -4.087 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.925 3.320 -5.412 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.011 3.600 -4.065 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.045 5.303 -1.826 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.591 4.557 -2.300 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.539 3.749 -1.113 1.00 0.00 H new ATOM 766 N LEU A 50 -3.548 -1.365 -5.871 1.00 0.00 N ATOM 767 CA LEU A 50 -3.802 -2.797 -5.755 1.00 0.00 C ATOM 768 C LEU A 50 -2.695 -3.483 -4.960 1.00 0.00 C ATOM 769 O LEU A 50 -1.637 -3.807 -5.501 1.00 0.00 O ATOM 770 CB LEU A 50 -3.916 -3.429 -7.143 1.00 0.00 C ATOM 771 CG LEU A 50 -4.887 -2.752 -8.111 1.00 0.00 C ATOM 772 CD1 LEU A 50 -4.788 -3.380 -9.493 1.00 0.00 C ATOM 773 CD2 LEU A 50 -6.312 -2.838 -7.585 1.00 0.00 C ATOM 0 H LEU A 50 -2.654 -1.129 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.744 -2.932 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.926 -3.437 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.220 -4.469 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.614 -1.700 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.486 -2.885 -10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.773 -3.265 -9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.034 -4.440 -9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.989 -2.351 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.596 -3.884 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.373 -2.340 -6.617 1.00 0.00 H new ATOM 785 N LEU A 51 -2.947 -3.705 -3.675 1.00 0.00 N ATOM 786 CA LEU A 51 -1.974 -4.356 -2.805 1.00 0.00 C ATOM 787 C LEU A 51 -1.800 -5.823 -3.184 1.00 0.00 C ATOM 788 O LEU A 51 -2.744 -6.610 -3.111 1.00 0.00 O ATOM 789 CB LEU A 51 -2.410 -4.243 -1.344 1.00 0.00 C ATOM 790 CG LEU A 51 -1.297 -4.353 -0.301 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.356 -5.497 -0.643 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.531 -3.042 -0.197 1.00 0.00 C ATOM 0 H LEU A 51 -3.818 -3.444 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.016 -3.851 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.914 -3.286 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.146 -5.022 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.752 -4.562 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.429 -5.560 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.914 -6.433 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.092 -5.320 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.257 -3.139 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.087 -2.802 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.213 -2.244 0.097 1.00 0.00 H new ATOM 804 N LYS A 52 -0.587 -6.186 -3.587 1.00 0.00 N ATOM 805 CA LYS A 52 -0.288 -7.559 -3.974 1.00 0.00 C ATOM 806 C LYS A 52 1.107 -7.964 -3.508 1.00 0.00 C ATOM 807 O LYS A 52 1.828 -7.167 -2.909 1.00 0.00 O ATOM 808 CB LYS A 52 -0.396 -7.718 -5.492 1.00 0.00 C ATOM 809 CG LYS A 52 -1.804 -7.517 -6.026 1.00 0.00 C ATOM 810 CD LYS A 52 -1.889 -7.833 -7.509 1.00 0.00 C ATOM 811 CE LYS A 52 -3.183 -7.314 -8.117 1.00 0.00 C ATOM 812 NZ LYS A 52 -3.037 -5.923 -8.628 1.00 0.00 N ATOM 0 H LYS A 52 0.205 -5.547 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.017 -8.212 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.271 -7.002 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.050 -8.713 -5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.497 -8.155 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.115 -6.487 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.039 -7.388 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.823 -8.911 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.490 -7.970 -8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.974 -7.344 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.978 -5.515 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.532 -5.346 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.499 -5.935 -9.518 1.00 0.00 H new ATOM 826 N GLY A 53 1.483 -9.208 -3.790 1.00 0.00 N ATOM 827 CA GLY A 53 2.791 -9.695 -3.394 1.00 0.00 C ATOM 828 C GLY A 53 2.812 -10.208 -1.968 1.00 0.00 C ATOM 829 O GLY A 53 3.874 -10.319 -1.356 1.00 0.00 O ATOM 0 H GLY A 53 0.905 -9.887 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.097 -10.494 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.521 -8.892 -3.499 1.00 0.00 H new ATOM 833 N TRP A 54 1.635 -10.518 -1.436 1.00 0.00 N ATOM 834 CA TRP A 54 1.522 -11.020 -0.071 1.00 0.00 C ATOM 835 C TRP A 54 2.261 -12.345 0.085 1.00 0.00 C ATOM 836 O TRP A 54 2.916 -12.815 -0.845 1.00 0.00 O ATOM 837 CB TRP A 54 0.051 -11.195 0.310 1.00 0.00 C ATOM 838 CG TRP A 54 -0.605 -9.919 0.745 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.602 -9.248 0.097 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.308 -9.161 1.923 1.00 0.00 C ATOM 841 NE1 TRP A 54 -1.944 -8.119 0.801 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.165 -8.043 1.926 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.596 -9.320 2.977 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.141 -7.090 2.941 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.619 -8.373 3.983 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.246 -7.270 3.960 1.00 0.00 C ATOM 0 H TRP A 54 0.746 -10.431 -1.928 1.00 0.00 H new ATOM 0 HA TRP A 54 1.979 -10.290 0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.492 -11.602 -0.543 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.024 -11.927 1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.055 -9.559 -0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.661 -7.446 0.530 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.265 -10.168 3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.805 -6.239 2.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.315 -8.484 4.801 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.205 -6.548 4.762 1.00 0.00 H new ATOM 912 N VAL A 59 -4.373 -11.709 0.421 1.00 0.00 N ATOM 913 CA VAL A 59 -4.803 -11.405 1.781 1.00 0.00 C ATOM 914 C VAL A 59 -5.933 -10.381 1.784 1.00 0.00 C ATOM 915 O VAL A 59 -5.881 -9.384 1.065 1.00 0.00 O ATOM 916 CB VAL A 59 -3.637 -10.869 2.632 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.115 -10.519 4.033 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.505 -11.885 2.684 1.00 0.00 C ATOM 0 HA VAL A 59 -5.161 -12.338 2.216 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.258 -9.960 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.277 -10.142 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.889 -9.754 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.522 -11.410 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.689 -11.490 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.869 -12.813 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.145 -12.081 1.674 1.00 0.00 H new ATOM 928 N GLU A 60 -6.952 -10.636 2.599 1.00 0.00 N ATOM 929 CA GLU A 60 -8.095 -9.735 2.695 1.00 0.00 C ATOM 930 C GLU A 60 -7.834 -8.632 3.717 1.00 0.00 C ATOM 931 O GLU A 60 -7.174 -8.855 4.732 1.00 0.00 O ATOM 932 CB GLU A 60 -9.355 -10.514 3.080 1.00 0.00 C ATOM 933 CG GLU A 60 -9.308 -11.091 4.484 1.00 0.00 C ATOM 934 CD GLU A 60 -10.541 -11.908 4.820 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.640 -11.542 4.355 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.405 -12.913 5.549 1.00 0.00 O ATOM 0 H GLU A 60 -7.009 -11.457 3.201 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.245 -9.274 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.219 -9.855 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.502 -11.326 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.422 -11.718 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.208 -10.279 5.204 1.00 0.00 H new ATOM 943 N ASP A 61 -8.356 -7.442 3.440 1.00 0.00 N ATOM 944 CA ASP A 61 -8.180 -6.303 4.334 1.00 0.00 C ATOM 945 C ASP A 61 -8.678 -6.633 5.738 1.00 0.00 C ATOM 946 O ASP A 61 -8.338 -5.950 6.704 1.00 0.00 O ATOM 947 CB ASP A 61 -8.922 -5.081 3.790 1.00 0.00 C ATOM 948 CG ASP A 61 -10.427 -5.218 3.908 1.00 0.00 C ATOM 949 OD1 ASP A 61 -10.928 -5.283 5.050 1.00 0.00 O ATOM 950 OD2 ASP A 61 -11.104 -5.260 2.859 1.00 0.00 O ATOM 0 H ASP A 61 -8.904 -7.241 2.604 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.115 -6.077 4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.597 -4.192 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.654 -4.933 2.744 1.00 0.00 H new ATOM 955 N SER A 62 -9.487 -7.683 5.842 1.00 0.00 N ATOM 956 CA SER A 62 -10.036 -8.100 7.127 1.00 0.00 C ATOM 957 C SER A 62 -9.031 -8.951 7.897 1.00 0.00 C ATOM 958 O SER A 62 -9.381 -9.621 8.868 1.00 0.00 O ATOM 959 CB SER A 62 -11.333 -8.884 6.920 1.00 0.00 C ATOM 960 OG SER A 62 -12.434 -8.010 6.740 1.00 0.00 O ATOM 0 H SER A 62 -9.776 -8.260 5.052 1.00 0.00 H new ATOM 0 HA SER A 62 -10.250 -7.205 7.711 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.234 -9.533 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.513 -9.529 7.780 1.00 0.00 H new ATOM 0 HG SER A 62 -13.251 -8.535 6.608 1.00 0.00 H new ATOM 966 N THR A 63 -7.777 -8.920 7.455 1.00 0.00 N ATOM 967 CA THR A 63 -6.720 -9.689 8.100 1.00 0.00 C ATOM 968 C THR A 63 -5.738 -8.774 8.823 1.00 0.00 C ATOM 969 O THR A 63 -5.598 -7.601 8.478 1.00 0.00 O ATOM 970 CB THR A 63 -5.949 -10.548 7.080 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.867 -11.300 6.279 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.991 -11.496 7.787 1.00 0.00 C ATOM 0 H THR A 63 -7.469 -8.370 6.653 1.00 0.00 H new ATOM 0 HA THR A 63 -7.202 -10.345 8.825 1.00 0.00 H new ATOM 0 HB THR A 63 -5.371 -9.882 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.369 -11.842 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.457 -12.093 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.275 -10.920 8.373 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.553 -12.156 8.448 1.00 0.00 H new ATOM 980 N VAL A 64 -5.059 -9.319 9.827 1.00 0.00 N ATOM 981 CA VAL A 64 -4.088 -8.552 10.598 1.00 0.00 C ATOM 982 C VAL A 64 -2.666 -9.028 10.321 1.00 0.00 C ATOM 983 O VAL A 64 -2.423 -10.223 10.146 1.00 0.00 O ATOM 984 CB VAL A 64 -4.366 -8.653 12.110 1.00 0.00 C ATOM 985 CG1 VAL A 64 -3.459 -7.708 12.884 1.00 0.00 C ATOM 986 CG2 VAL A 64 -5.829 -8.359 12.403 1.00 0.00 C ATOM 0 H VAL A 64 -5.163 -10.289 10.126 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.187 -7.512 10.286 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.151 -9.671 12.434 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.670 -7.793 13.950 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.417 -7.970 12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.639 -6.683 12.559 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.008 -8.435 13.476 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.073 -7.352 12.065 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.457 -9.079 11.879 1.00 0.00 H new ATOM 996 N LEU A 65 -1.730 -8.087 10.283 1.00 0.00 N ATOM 997 CA LEU A 65 -0.330 -8.410 10.027 1.00 0.00 C ATOM 998 C LEU A 65 0.146 -9.532 10.944 1.00 0.00 C ATOM 999 O LEU A 65 0.706 -10.528 10.486 1.00 0.00 O ATOM 1000 CB LEU A 65 0.544 -7.170 10.223 1.00 0.00 C ATOM 1001 CG LEU A 65 0.128 -5.925 9.439 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.559 -4.664 10.171 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.717 -5.957 8.036 1.00 0.00 C ATOM 0 H LEU A 65 -1.914 -7.094 10.426 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.243 -8.748 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.553 -6.921 11.284 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.567 -7.424 9.946 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.959 -5.918 9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.254 -3.788 9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.089 -4.636 11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.643 -4.663 10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.411 -5.063 7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.805 -5.989 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.358 -6.842 7.511 1.00 0.00 H new ATOM 1015 N LYS A 66 -0.083 -9.365 12.242 1.00 0.00 N ATOM 1016 CA LYS A 66 0.319 -10.364 13.225 1.00 0.00 C ATOM 1017 C LYS A 66 -0.141 -11.757 12.805 1.00 0.00 C ATOM 1018 O LYS A 66 0.521 -12.753 13.095 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.258 -10.019 14.600 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.631 -10.617 14.852 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.420 -9.798 15.858 1.00 0.00 C ATOM 1022 CE LYS A 66 -1.742 -9.782 17.219 1.00 0.00 C ATOM 1023 NZ LYS A 66 -2.724 -9.626 18.327 1.00 0.00 N ATOM 0 H LYS A 66 -0.545 -8.547 12.638 1.00 0.00 H new ATOM 0 HA LYS A 66 1.407 -10.361 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.428 -10.369 15.371 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.320 -8.935 14.697 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.183 -10.672 13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.522 -11.638 15.218 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.528 -8.777 15.492 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.425 -10.210 15.956 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.183 -10.708 17.357 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.021 -8.966 17.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.222 -9.620 19.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.240 -8.731 18.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.397 -10.418 18.308 1.00 0.00 H new ATOM 1037 N SER A 67 -1.278 -11.817 12.119 1.00 0.00 N ATOM 1038 CA SER A 67 -1.827 -13.088 11.660 1.00 0.00 C ATOM 1039 C SER A 67 -0.860 -13.787 10.710 1.00 0.00 C ATOM 1040 O SER A 67 -0.644 -14.996 10.803 1.00 0.00 O ATOM 1041 CB SER A 67 -3.171 -12.865 10.964 1.00 0.00 C ATOM 1042 OG SER A 67 -4.013 -13.997 11.106 1.00 0.00 O ATOM 0 H SER A 67 -1.837 -11.001 11.869 1.00 0.00 H new ATOM 0 HA SER A 67 -1.978 -13.726 12.531 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.661 -11.988 11.386 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.007 -12.660 9.906 1.00 0.00 H new ATOM 0 HG SER A 67 -4.866 -13.829 10.654 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.279 -13.018 9.795 1.00 0.00 N ATOM 1049 CA LEU A 68 0.666 -13.561 8.827 1.00 0.00 C ATOM 1050 C LEU A 68 2.082 -13.574 9.395 1.00 0.00 C ATOM 1051 O LEU A 68 2.938 -14.332 8.940 1.00 0.00 O ATOM 1052 CB LEU A 68 0.630 -12.743 7.535 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.705 -12.723 6.790 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.739 -11.580 5.787 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -0.946 -14.054 6.092 1.00 0.00 C ATOM 0 H LEU A 68 -0.446 -12.016 9.704 1.00 0.00 H new ATOM 0 HA LEU A 68 0.373 -14.588 8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.907 -11.716 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.393 -13.132 6.861 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.502 -12.566 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.697 -11.581 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.612 -10.632 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.067 -11.706 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.901 -14.022 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.145 -14.240 5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.966 -14.854 6.832 1.00 0.00 H new ATOM 1067 N HIS A 69 2.320 -12.730 10.395 1.00 0.00 N ATOM 1068 CA HIS A 69 3.631 -12.647 11.028 1.00 0.00 C ATOM 1069 C HIS A 69 4.714 -12.340 9.997 1.00 0.00 C ATOM 1070 O HIS A 69 5.743 -13.014 9.942 1.00 0.00 O ATOM 1071 CB HIS A 69 3.956 -13.954 11.752 1.00 0.00 C ATOM 1072 CG HIS A 69 2.970 -14.306 12.822 1.00 0.00 C ATOM 1073 ND1 HIS A 69 2.970 -13.718 14.069 1.00 0.00 N ATOM 1074 CD2 HIS A 69 1.946 -15.192 12.826 1.00 0.00 C ATOM 1075 CE1 HIS A 69 1.990 -14.228 14.794 1.00 0.00 C ATOM 1076 NE2 HIS A 69 1.353 -15.124 14.063 1.00 0.00 N ATOM 0 H HIS A 69 1.623 -12.095 10.783 1.00 0.00 H new ATOM 0 HA HIS A 69 3.605 -11.835 11.755 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.994 -14.764 11.023 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.949 -13.877 12.195 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.651 -15.833 12.009 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.751 -13.958 15.812 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.551 -15.676 14.367 1.00 0.00 H new ATOM 1085 N LEU A 70 4.474 -11.319 9.182 1.00 0.00 N ATOM 1086 CA LEU A 70 5.429 -10.922 8.152 1.00 0.00 C ATOM 1087 C LEU A 70 6.848 -10.885 8.710 1.00 0.00 C ATOM 1088 O LEU A 70 7.080 -10.508 9.858 1.00 0.00 O ATOM 1089 CB LEU A 70 5.056 -9.552 7.583 1.00 0.00 C ATOM 1090 CG LEU A 70 3.869 -9.526 6.619 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.192 -10.307 5.355 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.624 -10.085 7.291 1.00 0.00 C ATOM 0 H LEU A 70 3.627 -10.751 9.214 1.00 0.00 H new ATOM 0 HA LEU A 70 5.392 -11.662 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.837 -8.883 8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.926 -9.146 7.067 1.00 0.00 H new ATOM 0 HG LEU A 70 3.673 -8.490 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.336 -10.278 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.057 -9.862 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.415 -11.342 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.789 -10.059 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.808 -11.115 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.382 -9.483 8.167 1.00 0.00 H new ATOM 1104 N PRO A 71 7.822 -11.283 7.877 1.00 0.00 N ATOM 1105 CA PRO A 71 9.235 -11.302 8.265 1.00 0.00 C ATOM 1106 C PRO A 71 9.811 -9.899 8.424 1.00 0.00 C ATOM 1107 O PRO A 71 9.290 -8.935 7.863 1.00 0.00 O ATOM 1108 CB PRO A 71 9.913 -12.029 7.100 1.00 0.00 C ATOM 1109 CG PRO A 71 9.012 -11.799 5.935 1.00 0.00 C ATOM 1110 CD PRO A 71 7.617 -11.746 6.494 1.00 0.00 C ATOM 0 HA PRO A 71 9.386 -11.783 9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.911 -11.633 6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.026 -13.093 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.263 -10.869 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.109 -12.601 5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.984 -11.061 5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.135 -12.723 6.464 1.00 0.00 H new ATOM 1118 N LYS A 72 10.889 -9.791 9.193 1.00 0.00 N ATOM 1119 CA LYS A 72 11.538 -8.506 9.426 1.00 0.00 C ATOM 1120 C LYS A 72 11.465 -7.627 8.182 1.00 0.00 C ATOM 1121 O LYS A 72 10.984 -6.496 8.238 1.00 0.00 O ATOM 1122 CB LYS A 72 12.999 -8.715 9.831 1.00 0.00 C ATOM 1123 CG LYS A 72 13.808 -7.431 9.873 1.00 0.00 C ATOM 1124 CD LYS A 72 15.072 -7.595 10.701 1.00 0.00 C ATOM 1125 CE LYS A 72 16.007 -6.406 10.533 1.00 0.00 C ATOM 1126 NZ LYS A 72 16.765 -6.474 9.253 1.00 0.00 N ATOM 0 H LYS A 72 11.332 -10.579 9.666 1.00 0.00 H new ATOM 0 HA LYS A 72 11.011 -8.003 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.031 -9.187 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.466 -9.406 9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.073 -7.133 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.199 -6.630 10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.808 -7.705 11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.587 -8.509 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.429 -5.482 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.707 -6.373 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.190 -5.547 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.516 -7.189 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.119 -6.734 8.480 1.00 0.00 H new ATOM 1140 N ASN A 73 11.945 -8.155 7.061 1.00 0.00 N ATOM 1141 CA ASN A 73 11.933 -7.418 5.802 1.00 0.00 C ATOM 1142 C ASN A 73 10.810 -7.909 4.894 1.00 0.00 C ATOM 1143 O ASN A 73 10.600 -9.112 4.745 1.00 0.00 O ATOM 1144 CB ASN A 73 13.280 -7.561 5.090 1.00 0.00 C ATOM 1145 CG ASN A 73 14.374 -6.745 5.752 1.00 0.00 C ATOM 1146 OD1 ASN A 73 15.161 -7.266 6.542 1.00 0.00 O ATOM 1147 ND2 ASN A 73 14.427 -5.458 5.431 1.00 0.00 N ATOM 0 H ASN A 73 12.347 -9.090 6.998 1.00 0.00 H new ATOM 0 HA ASN A 73 11.759 -6.366 6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.571 -8.611 5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.174 -7.247 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.141 -4.858 5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.754 -5.069 4.771 1.00 0.00 H new ATOM 1154 N ASN A 74 10.091 -6.969 4.289 1.00 0.00 N ATOM 1155 CA ASN A 74 8.989 -7.306 3.396 1.00 0.00 C ATOM 1156 C ASN A 74 9.151 -6.611 2.047 1.00 0.00 C ATOM 1157 O ASN A 74 9.856 -5.609 1.934 1.00 0.00 O ATOM 1158 CB ASN A 74 7.653 -6.911 4.028 1.00 0.00 C ATOM 1159 CG ASN A 74 7.275 -7.810 5.190 1.00 0.00 C ATOM 1160 OD1 ASN A 74 6.697 -8.880 4.998 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.601 -7.377 6.402 1.00 0.00 N ATOM 0 H ASN A 74 10.252 -5.968 4.401 1.00 0.00 H new ATOM 0 HA ASN A 74 9.002 -8.384 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.709 -5.879 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.870 -6.952 3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.373 -7.938 7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.080 -6.483 6.513 1.00 0.00 H new ATOM 1168 N SER A 75 8.493 -7.152 1.026 1.00 0.00 N ATOM 1169 CA SER A 75 8.566 -6.587 -0.316 1.00 0.00 C ATOM 1170 C SER A 75 7.187 -6.557 -0.969 1.00 0.00 C ATOM 1171 O SER A 75 6.651 -7.594 -1.361 1.00 0.00 O ATOM 1172 CB SER A 75 9.535 -7.396 -1.181 1.00 0.00 C ATOM 1173 OG SER A 75 9.133 -8.752 -1.265 1.00 0.00 O ATOM 0 H SER A 75 7.904 -7.981 1.103 1.00 0.00 H new ATOM 0 HA SER A 75 8.932 -5.564 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.582 -6.965 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.539 -7.336 -0.761 1.00 0.00 H new ATOM 0 HG SER A 75 8.158 -8.799 -1.356 1.00 0.00 H new ATOM 1179 N LEU A 76 6.619 -5.362 -1.081 1.00 0.00 N ATOM 1180 CA LEU A 76 5.302 -5.195 -1.687 1.00 0.00 C ATOM 1181 C LEU A 76 5.376 -4.288 -2.911 1.00 0.00 C ATOM 1182 O LEU A 76 6.389 -3.629 -3.147 1.00 0.00 O ATOM 1183 CB LEU A 76 4.320 -4.615 -0.667 1.00 0.00 C ATOM 1184 CG LEU A 76 3.897 -5.552 0.465 1.00 0.00 C ATOM 1185 CD1 LEU A 76 3.079 -4.800 1.503 1.00 0.00 C ATOM 1186 CD2 LEU A 76 3.109 -6.732 -0.085 1.00 0.00 C ATOM 0 H LEU A 76 7.049 -4.494 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 76 4.949 -6.176 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.768 -3.725 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.425 -4.292 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 76 4.796 -5.935 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.787 -5.483 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.677 -3.990 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.186 -4.388 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.816 -7.388 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.217 -6.368 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.729 -7.286 -0.790 1.00 0.00 H new ATOM 1198 N TYR A 77 4.297 -4.258 -3.684 1.00 0.00 N ATOM 1199 CA TYR A 77 4.240 -3.431 -4.884 1.00 0.00 C ATOM 1200 C TYR A 77 2.799 -3.056 -5.219 1.00 0.00 C ATOM 1201 O TYR A 77 1.877 -3.847 -5.020 1.00 0.00 O ATOM 1202 CB TYR A 77 4.874 -4.166 -6.066 1.00 0.00 C ATOM 1203 CG TYR A 77 4.294 -5.542 -6.306 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.767 -6.648 -5.610 1.00 0.00 C ATOM 1205 CD2 TYR A 77 3.274 -5.736 -7.229 1.00 0.00 C ATOM 1206 CE1 TYR A 77 4.240 -7.906 -5.826 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.741 -6.991 -7.451 1.00 0.00 C ATOM 1208 CZ TYR A 77 3.227 -8.073 -6.747 1.00 0.00 C ATOM 1209 OH TYR A 77 2.699 -9.324 -6.966 1.00 0.00 O ATOM 0 H TYR A 77 3.450 -4.796 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 77 4.800 -2.516 -4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.747 -3.565 -6.967 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.946 -4.258 -5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.560 -6.521 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.891 -4.891 -7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.619 -8.755 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.948 -7.124 -8.172 1.00 0.00 H new ATOM 0 HH TYR A 77 1.994 -9.267 -7.644 1.00 0.00 H new ATOM 1219 N VAL A 78 2.614 -1.842 -5.729 1.00 0.00 N ATOM 1220 CA VAL A 78 1.287 -1.360 -6.093 1.00 0.00 C ATOM 1221 C VAL A 78 1.074 -1.426 -7.602 1.00 0.00 C ATOM 1222 O VAL A 78 1.986 -1.146 -8.381 1.00 0.00 O ATOM 1223 CB VAL A 78 1.065 0.087 -5.617 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.130 0.706 -6.326 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.880 0.129 -4.108 1.00 0.00 C ATOM 0 H VAL A 78 3.366 -1.175 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 78 0.567 -2.011 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 78 1.949 0.673 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.271 1.729 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.048 0.711 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.024 0.122 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.724 1.160 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.014 -0.471 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.769 -0.271 -3.621 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.135 -1.797 -8.007 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.470 -1.899 -9.423 1.00 0.00 C ATOM 1237 C LEU A 79 -1.719 -1.086 -9.748 1.00 0.00 C ATOM 1238 O LEU A 79 -2.840 -1.513 -9.472 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.685 -3.363 -9.813 1.00 0.00 C ATOM 1240 CG LEU A 79 0.404 -4.341 -9.372 1.00 0.00 C ATOM 1241 CD1 LEU A 79 0.170 -4.790 -7.938 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.453 -5.541 -10.307 1.00 0.00 C ATOM 0 H LEU A 79 -0.900 -2.032 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 79 0.364 -1.495 -9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.635 -3.694 -9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.779 -3.419 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 79 1.365 -3.829 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.955 -5.486 -7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.186 -3.923 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.799 -5.284 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.234 -6.227 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.509 -6.053 -10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.670 -5.204 -11.321 1.00 0.00 H new ATOM 1254 N THR A 80 -1.517 0.089 -10.337 1.00 0.00 N ATOM 1255 CA THR A 80 -2.626 0.962 -10.700 1.00 0.00 C ATOM 1256 C THR A 80 -2.896 0.912 -12.200 1.00 0.00 C ATOM 1257 O THR A 80 -2.285 1.633 -12.989 1.00 0.00 O ATOM 1258 CB THR A 80 -2.352 2.420 -10.287 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.268 2.951 -11.056 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.022 2.509 -8.805 1.00 0.00 C ATOM 0 H THR A 80 -0.596 0.457 -10.573 1.00 0.00 H new ATOM 0 HA THR A 80 -3.503 0.600 -10.163 1.00 0.00 H new ATOM 0 HB THR A 80 -3.252 3.005 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.459 2.841 -12.011 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.832 3.548 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.862 2.131 -8.222 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.135 1.912 -8.593 1.00 0.00 H new ATOM 1268 N PRO A 81 -3.834 0.043 -12.605 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.207 -0.120 -14.013 1.00 0.00 C ATOM 1270 C PRO A 81 -4.955 1.092 -14.559 1.00 0.00 C ATOM 1271 O PRO A 81 -4.690 1.548 -15.671 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.118 -1.350 -13.999 1.00 0.00 C ATOM 1273 CG PRO A 81 -5.678 -1.390 -12.619 1.00 0.00 C ATOM 1274 CD PRO A 81 -4.602 -0.848 -11.720 1.00 0.00 C ATOM 0 HA PRO A 81 -3.334 -0.227 -14.656 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.908 -1.266 -14.745 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.560 -2.258 -14.227 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.585 -0.789 -12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.947 -2.408 -12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.022 -0.307 -10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.979 -1.645 -11.313 1.00 0.00 H new ATOM 1282 N ASP A 82 -5.891 1.608 -13.769 1.00 0.00 N ATOM 1283 CA ASP A 82 -6.677 2.768 -14.172 1.00 0.00 C ATOM 1284 C ASP A 82 -5.848 4.045 -14.077 1.00 0.00 C ATOM 1285 O ASP A 82 -5.697 4.774 -15.058 1.00 0.00 O ATOM 1286 CB ASP A 82 -7.928 2.891 -13.301 1.00 0.00 C ATOM 1287 CG ASP A 82 -8.867 3.977 -13.787 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -8.437 5.148 -13.851 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -10.033 3.657 -14.102 1.00 0.00 O ATOM 0 H ASP A 82 -6.123 1.241 -12.846 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.979 2.629 -15.210 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.455 1.937 -13.290 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.632 3.103 -12.274 1.00 0.00 H new ATOM 1294 N LEU A 83 -5.315 4.311 -12.890 1.00 0.00 N ATOM 1295 CA LEU A 83 -4.502 5.502 -12.666 1.00 0.00 C ATOM 1296 C LEU A 83 -3.383 5.600 -13.697 1.00 0.00 C ATOM 1297 O LEU A 83 -2.544 4.708 -13.825 1.00 0.00 O ATOM 1298 CB LEU A 83 -3.911 5.481 -11.255 1.00 0.00 C ATOM 1299 CG LEU A 83 -3.605 6.845 -10.635 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -4.894 7.578 -10.296 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -2.738 6.685 -9.395 1.00 0.00 C ATOM 0 H LEU A 83 -5.431 3.719 -12.068 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.145 6.376 -12.772 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.605 4.954 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.989 4.899 -11.277 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.054 7.439 -11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.657 8.547 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.478 7.725 -11.204 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.472 6.988 -9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.530 7.666 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.262 6.073 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.800 6.202 -9.667 1.00 0.00 H new