USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 689 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 48 CYS SG : rot -165:sc= -9.31! USER MOD Set 1.2: A 70 MET CE :methyl 136:sc= -5.84! (180deg=-10.9!) USER MOD Set 1.3: A 86 CYS SG : rot 180:sc= -0.245 USER MOD Set 1.4: A 87 GLN :FLIP amide:sc= -1.87 F(o=-21,f=-17) USER MOD Set 2.1: A 49 HIS : no HE2:sc= -26.9! C(o=-34!,f=-34!) USER MOD Set 2.2: A 51 TYR OH : rot 165:sc= -7.33! USER MOD Set 3.1: A 29 SER OG : rot -83:sc= 1.23 USER MOD Set 3.2: A 30 ASN :FLIP amide:sc= -5.95! C(o=-9.7!,f=-4.7!) USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.124 USER MOD Set 4.2: A 25 GLN :FLIP amide:sc= -2.63! C(o=-3.8!,f=-2.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 100:sc= -6.3! USER MOD Single : A 7 SER OG : rot 163:sc= 1.04 USER MOD Single : A 8 HIS : no HE2:sc= -2.06! C(o=-2.1!,f=-5.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -33.5! C(o=-34!,f=-38!) USER MOD Single : A 57 THR OG1 : rot -150:sc= -0.106 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.961! C(o=-0.96!,f=-11!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 63:sc= 1.5 USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.165 (180deg=-1.31!) USER MOD Single : A 81 ASN : amide:sc= -5.92! C(o=-5.9!,f=-15!) USER MOD Single : A 82 SER OG : rot 11:sc= -6.04! USER MOD Single : A 85 CYS SG : rot 162:sc= -6.85! USER MOD Single : A 90 MET CE :methyl 154:sc= -4.76! (180deg=-7.39!) USER MOD Single : A 91 THR OG1 : rot -89:sc= -1.64! USER MOD Single : A 105 GLN :FLIP amide:sc= -0.958 F(o=-2.9!,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 14 N LYS A 2 7.306 -11.146 -0.764 1.00 0.00 N ATOM 15 CA LYS A 2 7.846 -10.227 -1.782 1.00 0.00 C ATOM 16 C LYS A 2 6.882 -9.065 -1.961 1.00 0.00 C ATOM 17 O LYS A 2 5.688 -9.209 -1.818 1.00 0.00 O ATOM 18 CB LYS A 2 7.899 -11.053 -3.051 1.00 0.00 C ATOM 19 CG LYS A 2 9.164 -11.886 -3.047 1.00 0.00 C ATOM 20 CD LYS A 2 9.895 -11.717 -4.378 1.00 0.00 C ATOM 21 CE LYS A 2 9.927 -13.054 -5.118 1.00 0.00 C ATOM 22 NZ LYS A 2 9.032 -12.861 -6.293 1.00 0.00 N ATOM 0 HA LYS A 2 8.821 -9.819 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.023 -11.699 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.880 -10.402 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.810 -11.580 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.919 -12.936 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.394 -10.965 -4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.911 -11.361 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.940 -13.309 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.575 -13.866 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.001 -13.737 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.074 -12.626 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.396 -12.086 -6.883 1.00 0.00 H new ATOM 36 N VAL A 3 7.383 -7.913 -2.241 1.00 0.00 N ATOM 37 CA VAL A 3 6.498 -6.752 -2.404 1.00 0.00 C ATOM 38 C VAL A 3 6.888 -5.918 -3.589 1.00 0.00 C ATOM 39 O VAL A 3 8.024 -5.670 -3.830 1.00 0.00 O ATOM 40 CB VAL A 3 6.655 -6.011 -1.099 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.155 -4.569 -1.228 1.00 0.00 C ATOM 42 CG2 VAL A 3 5.826 -6.782 -0.093 1.00 0.00 C ATOM 0 H VAL A 3 8.378 -7.724 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 3 5.462 -7.027 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 3 7.700 -5.948 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.278 -4.055 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.730 -4.052 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.101 -4.573 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.894 -6.298 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.785 -6.801 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.201 -7.803 -0.018 1.00 0.00 H new ATOM 52 N VAL A 4 5.941 -5.499 -4.352 1.00 0.00 N ATOM 53 CA VAL A 4 6.290 -4.671 -5.532 1.00 0.00 C ATOM 54 C VAL A 4 5.263 -3.557 -5.733 1.00 0.00 C ATOM 55 O VAL A 4 4.287 -3.713 -6.437 1.00 0.00 O ATOM 56 CB VAL A 4 6.317 -5.641 -6.699 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.676 -4.897 -7.986 1.00 0.00 C ATOM 58 CG2 VAL A 4 7.361 -6.725 -6.420 1.00 0.00 C ATOM 0 H VAL A 4 4.947 -5.687 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 4 7.249 -4.166 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 4 5.334 -6.097 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.694 -5.599 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.932 -4.124 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.658 -4.437 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.388 -7.427 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.342 -6.264 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.098 -7.257 -5.506 1.00 0.00 H new ATOM 68 N TYR A 5 5.497 -2.427 -5.129 1.00 0.00 N ATOM 69 CA TYR A 5 4.567 -1.279 -5.271 1.00 0.00 C ATOM 70 C TYR A 5 4.619 -0.774 -6.701 1.00 0.00 C ATOM 71 O TYR A 5 5.675 -0.593 -7.255 1.00 0.00 O ATOM 72 CB TYR A 5 5.104 -0.178 -4.353 1.00 0.00 C ATOM 73 CG TYR A 5 5.330 -0.662 -2.939 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.466 -1.428 -2.586 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.416 -0.290 -1.954 1.00 0.00 C ATOM 76 CE1 TYR A 5 6.664 -1.813 -1.278 1.00 0.00 C ATOM 77 CE2 TYR A 5 4.623 -0.674 -0.632 1.00 0.00 C ATOM 78 CZ TYR A 5 5.750 -1.440 -0.288 1.00 0.00 C ATOM 79 OH TYR A 5 5.955 -1.830 1.017 1.00 0.00 O ATOM 0 H TYR A 5 6.306 -2.250 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 5 3.544 -1.561 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.042 0.202 -4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.401 0.655 -4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.180 -1.712 -3.345 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.548 0.296 -2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.529 -2.405 -1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.916 -0.383 0.131 1.00 0.00 H new ATOM 0 HH TYR A 5 6.347 -1.088 1.523 1.00 0.00 H new ATOM 89 N VAL A 6 3.504 -0.530 -7.302 1.00 0.00 N ATOM 90 CA VAL A 6 3.522 -0.027 -8.689 1.00 0.00 C ATOM 91 C VAL A 6 3.320 1.486 -8.687 1.00 0.00 C ATOM 92 O VAL A 6 3.059 2.084 -7.665 1.00 0.00 O ATOM 93 CB VAL A 6 2.359 -0.744 -9.358 1.00 0.00 C ATOM 94 CG1 VAL A 6 2.287 -0.336 -10.823 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.576 -2.256 -9.250 1.00 0.00 C ATOM 0 H VAL A 6 2.578 -0.657 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 6 4.462 -0.212 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 6 1.424 -0.474 -8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.454 -0.849 -11.303 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.139 0.742 -10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.217 -0.608 -11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.746 -2.778 -9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.508 -2.526 -9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.628 -2.542 -8.199 1.00 0.00 H new ATOM 105 N SER A 7 3.449 2.110 -9.818 1.00 0.00 N ATOM 106 CA SER A 7 3.269 3.586 -9.875 1.00 0.00 C ATOM 107 C SER A 7 1.939 3.914 -10.543 1.00 0.00 C ATOM 108 O SER A 7 0.972 3.187 -10.426 1.00 0.00 O ATOM 109 CB SER A 7 4.431 4.088 -10.729 1.00 0.00 C ATOM 110 OG SER A 7 4.058 4.046 -12.101 1.00 0.00 O ATOM 0 H SER A 7 3.671 1.664 -10.708 1.00 0.00 H new ATOM 0 HA SER A 7 3.259 4.047 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.694 5.106 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.314 3.471 -10.561 1.00 0.00 H new ATOM 0 HG SER A 7 4.671 4.604 -12.624 1.00 0.00 H new ATOM 116 N HIS A 8 1.893 4.987 -11.270 1.00 0.00 N ATOM 117 CA HIS A 8 0.636 5.345 -11.980 1.00 0.00 C ATOM 118 C HIS A 8 0.758 4.823 -13.404 1.00 0.00 C ATOM 119 O HIS A 8 -0.203 4.413 -14.025 1.00 0.00 O ATOM 120 CB HIS A 8 0.526 6.883 -11.968 1.00 0.00 C ATOM 121 CG HIS A 8 1.539 7.497 -11.030 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.767 6.993 -9.762 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.389 8.565 -11.168 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.717 7.754 -9.187 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.132 8.726 -10.001 1.00 0.00 N ATOM 0 H HIS A 8 2.670 5.634 -11.406 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.250 4.916 -11.512 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.679 7.269 -12.976 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.479 7.176 -11.664 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.300 6.191 -9.340 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.470 9.186 -12.048 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.097 7.597 -8.188 1.00 0.00 H new ATOM 133 N ASP A 9 1.962 4.817 -13.908 1.00 0.00 N ATOM 134 CA ASP A 9 2.205 4.301 -15.281 1.00 0.00 C ATOM 135 C ASP A 9 2.557 2.809 -15.222 1.00 0.00 C ATOM 136 O ASP A 9 2.647 2.141 -16.233 1.00 0.00 O ATOM 137 CB ASP A 9 3.383 5.116 -15.816 1.00 0.00 C ATOM 138 CG ASP A 9 4.679 4.635 -15.162 1.00 0.00 C ATOM 139 OD1 ASP A 9 5.276 3.709 -15.686 1.00 0.00 O ATOM 140 OD2 ASP A 9 5.056 5.204 -14.150 1.00 0.00 O ATOM 0 H ASP A 9 2.794 5.151 -13.421 1.00 0.00 H new ATOM 0 HA ASP A 9 1.329 4.398 -15.922 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.449 5.010 -16.899 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.230 6.175 -15.608 1.00 0.00 H new ATOM 145 N GLY A 10 2.750 2.286 -14.041 1.00 0.00 N ATOM 146 CA GLY A 10 3.088 0.837 -13.909 1.00 0.00 C ATOM 147 C GLY A 10 4.504 0.647 -13.341 1.00 0.00 C ATOM 148 O GLY A 10 4.868 -0.443 -12.947 1.00 0.00 O ATOM 0 H GLY A 10 2.688 2.799 -13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.363 0.350 -13.257 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.016 0.354 -14.883 1.00 0.00 H new ATOM 152 N THR A 11 5.311 1.677 -13.279 1.00 0.00 N ATOM 153 CA THR A 11 6.677 1.490 -12.721 1.00 0.00 C ATOM 154 C THR A 11 6.543 0.927 -11.310 1.00 0.00 C ATOM 155 O THR A 11 5.757 1.391 -10.510 1.00 0.00 O ATOM 156 CB THR A 11 7.338 2.874 -12.755 1.00 0.00 C ATOM 157 OG1 THR A 11 8.413 2.838 -13.684 1.00 0.00 O ATOM 158 CG2 THR A 11 7.889 3.249 -11.383 1.00 0.00 C ATOM 0 H THR A 11 5.085 2.623 -13.586 1.00 0.00 H new ATOM 0 HA THR A 11 7.291 0.787 -13.284 1.00 0.00 H new ATOM 0 HB THR A 11 6.592 3.614 -13.046 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.845 3.717 -13.718 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.352 4.234 -11.434 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.076 3.267 -10.657 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.633 2.514 -11.076 1.00 0.00 H new ATOM 166 N ARG A 12 7.272 -0.091 -11.029 1.00 0.00 N ATOM 167 CA ARG A 12 7.167 -0.737 -9.687 1.00 0.00 C ATOM 168 C ARG A 12 8.502 -0.747 -8.919 1.00 0.00 C ATOM 169 O ARG A 12 9.547 -0.407 -9.436 1.00 0.00 O ATOM 170 CB ARG A 12 6.710 -2.191 -9.941 1.00 0.00 C ATOM 171 CG ARG A 12 5.967 -2.340 -11.282 1.00 0.00 C ATOM 172 CD ARG A 12 6.184 -3.758 -11.819 1.00 0.00 C ATOM 173 NE ARG A 12 5.230 -4.613 -11.060 1.00 0.00 N ATOM 174 CZ ARG A 12 5.053 -5.857 -11.412 1.00 0.00 C ATOM 175 NH1 ARG A 12 5.839 -6.787 -10.945 1.00 0.00 N ATOM 176 NH2 ARG A 12 4.090 -6.172 -12.236 1.00 0.00 N ATOM 0 H ARG A 12 7.945 -0.518 -11.665 1.00 0.00 H new ATOM 0 HA ARG A 12 6.466 -0.174 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.578 -2.850 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.058 -2.513 -9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.903 -2.148 -11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.334 -1.606 -11.999 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.990 -3.807 -12.891 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.213 -4.084 -11.666 1.00 0.00 H new ATOM 0 HE ARG A 12 4.716 -4.228 -10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.593 -6.542 -10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.699 -7.759 -11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.476 -5.446 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.952 -7.144 -12.511 1.00 0.00 H new ATOM 190 N ARG A 13 8.446 -1.204 -7.689 1.00 0.00 N ATOM 191 CA ARG A 13 9.649 -1.345 -6.827 1.00 0.00 C ATOM 192 C ARG A 13 9.594 -2.765 -6.299 1.00 0.00 C ATOM 193 O ARG A 13 8.662 -3.479 -6.590 1.00 0.00 O ATOM 194 CB ARG A 13 9.499 -0.366 -5.645 1.00 0.00 C ATOM 195 CG ARG A 13 8.103 0.253 -5.607 1.00 0.00 C ATOM 196 CD ARG A 13 7.989 1.338 -6.673 1.00 0.00 C ATOM 197 NE ARG A 13 7.131 2.389 -6.061 1.00 0.00 N ATOM 198 CZ ARG A 13 7.574 3.612 -5.957 1.00 0.00 C ATOM 199 NH1 ARG A 13 8.670 3.852 -5.292 1.00 0.00 N ATOM 200 NH2 ARG A 13 6.919 4.592 -6.515 1.00 0.00 N ATOM 0 H ARG A 13 7.579 -1.494 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 13 10.580 -1.141 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.691 -0.891 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.246 0.423 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.350 -0.516 -5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.910 0.677 -4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.969 1.734 -6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.543 0.948 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 13 6.198 2.154 -5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.179 3.084 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.018 4.807 -5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.061 4.402 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.265 5.548 -6.434 1.00 0.00 H new ATOM 214 N GLU A 14 10.530 -3.204 -5.526 1.00 0.00 N ATOM 215 CA GLU A 14 10.391 -4.593 -5.019 1.00 0.00 C ATOM 216 C GLU A 14 11.090 -4.764 -3.666 1.00 0.00 C ATOM 217 O GLU A 14 12.301 -4.761 -3.567 1.00 0.00 O ATOM 218 CB GLU A 14 11.013 -5.538 -6.069 1.00 0.00 C ATOM 219 CG GLU A 14 11.671 -4.764 -7.221 1.00 0.00 C ATOM 220 CD GLU A 14 10.625 -4.444 -8.290 1.00 0.00 C ATOM 221 OE1 GLU A 14 9.559 -5.034 -8.243 1.00 0.00 O ATOM 222 OE2 GLU A 14 10.909 -3.615 -9.139 1.00 0.00 O ATOM 0 H GLU A 14 11.359 -2.689 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 14 9.337 -4.827 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.756 -6.175 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.240 -6.195 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.115 -3.842 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.479 -5.354 -7.654 1.00 0.00 H new ATOM 229 N LEU A 15 10.326 -4.926 -2.633 1.00 0.00 N ATOM 230 CA LEU A 15 10.891 -5.119 -1.281 1.00 0.00 C ATOM 231 C LEU A 15 10.803 -6.578 -0.861 1.00 0.00 C ATOM 232 O LEU A 15 10.662 -7.480 -1.663 1.00 0.00 O ATOM 233 CB LEU A 15 9.966 -4.307 -0.380 1.00 0.00 C ATOM 234 CG LEU A 15 9.792 -2.901 -0.907 1.00 0.00 C ATOM 235 CD1 LEU A 15 9.499 -1.973 0.264 1.00 0.00 C ATOM 236 CD2 LEU A 15 11.051 -2.426 -1.612 1.00 0.00 C ATOM 0 H LEU A 15 9.307 -4.933 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 15 11.939 -4.822 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.995 -4.797 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.375 -4.272 0.630 1.00 0.00 H new ATOM 0 HG LEU A 15 8.970 -2.892 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.371 -0.954 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.586 -2.296 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.330 -2.003 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.900 -1.412 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.886 -2.436 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.271 -3.089 -2.449 1.00 0.00 H new ATOM 248 N ASP A 16 10.844 -6.782 0.414 1.00 0.00 N ATOM 249 CA ASP A 16 10.724 -8.138 0.991 1.00 0.00 C ATOM 250 C ASP A 16 10.064 -7.967 2.351 1.00 0.00 C ATOM 251 O ASP A 16 10.681 -8.137 3.384 1.00 0.00 O ATOM 252 CB ASP A 16 12.157 -8.653 1.130 1.00 0.00 C ATOM 253 CG ASP A 16 12.145 -10.017 1.821 1.00 0.00 C ATOM 254 OD1 ASP A 16 11.187 -10.293 2.527 1.00 0.00 O ATOM 255 OD2 ASP A 16 13.091 -10.763 1.633 1.00 0.00 O ATOM 0 H ASP A 16 10.960 -6.040 1.105 1.00 0.00 H new ATOM 0 HA ASP A 16 10.136 -8.835 0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.622 -8.735 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.754 -7.947 1.707 1.00 0.00 H new ATOM 260 N VAL A 17 8.820 -7.577 2.354 1.00 0.00 N ATOM 261 CA VAL A 17 8.120 -7.328 3.644 1.00 0.00 C ATOM 262 C VAL A 17 7.470 -8.615 4.142 1.00 0.00 C ATOM 263 O VAL A 17 6.731 -9.279 3.441 1.00 0.00 O ATOM 264 CB VAL A 17 7.095 -6.231 3.323 1.00 0.00 C ATOM 265 CG1 VAL A 17 6.918 -5.391 4.551 1.00 0.00 C ATOM 266 CG2 VAL A 17 7.615 -5.329 2.191 1.00 0.00 C ATOM 0 H VAL A 17 8.258 -7.420 1.518 1.00 0.00 H new ATOM 0 HA VAL A 17 8.787 -7.011 4.446 1.00 0.00 H new ATOM 0 HB VAL A 17 6.156 -6.689 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.193 -4.602 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.559 -6.015 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.873 -4.945 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.878 -4.556 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.551 -4.862 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.785 -5.929 1.297 1.00 0.00 H new ATOM 276 N ALA A 18 7.808 -8.988 5.343 1.00 0.00 N ATOM 277 CA ALA A 18 7.290 -10.264 5.931 1.00 0.00 C ATOM 278 C ALA A 18 5.985 -10.085 6.689 1.00 0.00 C ATOM 279 O ALA A 18 5.468 -8.999 6.839 1.00 0.00 O ATOM 280 CB ALA A 18 8.347 -10.684 6.939 1.00 0.00 C ATOM 0 H ALA A 18 8.430 -8.459 5.955 1.00 0.00 H new ATOM 0 HA ALA A 18 7.101 -10.983 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.044 -11.615 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.299 -10.832 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.458 -9.907 7.695 1.00 0.00 H new ATOM 286 N ASP A 19 5.496 -11.175 7.215 1.00 0.00 N ATOM 287 CA ASP A 19 4.258 -11.145 8.039 1.00 0.00 C ATOM 288 C ASP A 19 4.469 -10.192 9.194 1.00 0.00 C ATOM 289 O ASP A 19 5.318 -10.395 10.041 1.00 0.00 O ATOM 290 CB ASP A 19 4.034 -12.570 8.591 1.00 0.00 C ATOM 291 CG ASP A 19 5.297 -13.437 8.505 1.00 0.00 C ATOM 292 OD1 ASP A 19 6.185 -13.239 9.318 1.00 0.00 O ATOM 293 OD2 ASP A 19 5.352 -14.284 7.629 1.00 0.00 O ATOM 0 H ASP A 19 5.911 -12.100 7.105 1.00 0.00 H new ATOM 0 HA ASP A 19 3.400 -10.821 7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.710 -12.507 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.229 -13.050 8.034 1.00 0.00 H new ATOM 298 N GLY A 20 3.700 -9.162 9.246 1.00 0.00 N ATOM 299 CA GLY A 20 3.848 -8.198 10.363 1.00 0.00 C ATOM 300 C GLY A 20 4.391 -6.857 9.873 1.00 0.00 C ATOM 301 O GLY A 20 4.157 -5.843 10.498 1.00 0.00 O ATOM 0 H GLY A 20 2.972 -8.938 8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.882 -8.047 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.519 -8.611 11.116 1.00 0.00 H new ATOM 305 N VAL A 21 5.107 -6.799 8.775 1.00 0.00 N ATOM 306 CA VAL A 21 5.596 -5.468 8.356 1.00 0.00 C ATOM 307 C VAL A 21 4.540 -4.772 7.541 1.00 0.00 C ATOM 308 O VAL A 21 3.802 -5.379 6.798 1.00 0.00 O ATOM 309 CB VAL A 21 6.797 -5.653 7.446 1.00 0.00 C ATOM 310 CG1 VAL A 21 7.234 -4.278 6.971 1.00 0.00 C ATOM 311 CG2 VAL A 21 7.957 -6.303 8.166 1.00 0.00 C ATOM 0 H VAL A 21 5.361 -7.586 8.178 1.00 0.00 H new ATOM 0 HA VAL A 21 5.846 -4.888 9.245 1.00 0.00 H new ATOM 0 HB VAL A 21 6.511 -6.301 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.098 -4.378 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.417 -3.804 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.502 -3.664 7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.795 -6.416 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.260 -5.678 9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.654 -7.283 8.533 1.00 0.00 H new ATOM 321 N SER A 22 4.512 -3.497 7.619 1.00 0.00 N ATOM 322 CA SER A 22 3.553 -2.750 6.783 1.00 0.00 C ATOM 323 C SER A 22 4.296 -2.306 5.537 1.00 0.00 C ATOM 324 O SER A 22 5.329 -1.683 5.634 1.00 0.00 O ATOM 325 CB SER A 22 3.106 -1.552 7.625 1.00 0.00 C ATOM 326 OG SER A 22 4.046 -1.336 8.670 1.00 0.00 O ATOM 0 H SER A 22 5.108 -2.930 8.222 1.00 0.00 H new ATOM 0 HA SER A 22 2.684 -3.333 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.028 -0.662 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.116 -1.735 8.043 1.00 0.00 H new ATOM 0 HG SER A 22 3.764 -0.569 9.210 1.00 0.00 H new ATOM 332 N LEU A 23 3.808 -2.625 4.368 1.00 0.00 N ATOM 333 CA LEU A 23 4.528 -2.201 3.144 1.00 0.00 C ATOM 334 C LEU A 23 5.018 -0.776 3.320 1.00 0.00 C ATOM 335 O LEU A 23 6.013 -0.377 2.778 1.00 0.00 O ATOM 336 CB LEU A 23 3.489 -2.266 2.054 1.00 0.00 C ATOM 337 CG LEU A 23 3.263 -3.714 1.605 1.00 0.00 C ATOM 338 CD1 LEU A 23 2.581 -3.712 0.250 1.00 0.00 C ATOM 339 CD2 LEU A 23 4.584 -4.466 1.509 1.00 0.00 C ATOM 0 H LEU A 23 2.951 -3.155 4.213 1.00 0.00 H new ATOM 0 HA LEU A 23 5.396 -2.822 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.552 -1.841 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.808 -1.662 1.204 1.00 0.00 H new ATOM 0 HG LEU A 23 2.636 -4.216 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.417 -4.739 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.623 -3.198 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.213 -3.198 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.397 -5.491 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.232 -3.972 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.070 -4.474 2.485 1.00 0.00 H new ATOM 351 N MET A 24 4.341 -0.016 4.110 1.00 0.00 N ATOM 352 CA MET A 24 4.808 1.360 4.353 1.00 0.00 C ATOM 353 C MET A 24 6.211 1.263 4.946 1.00 0.00 C ATOM 354 O MET A 24 7.142 1.902 4.504 1.00 0.00 O ATOM 355 CB MET A 24 3.779 1.913 5.338 1.00 0.00 C ATOM 356 CG MET A 24 4.470 2.562 6.550 1.00 0.00 C ATOM 357 SD MET A 24 3.558 4.031 7.071 1.00 0.00 S ATOM 358 CE MET A 24 4.893 5.225 6.798 1.00 0.00 C ATOM 0 H MET A 24 3.487 -0.285 4.598 1.00 0.00 H new ATOM 0 HA MET A 24 4.880 2.002 3.475 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.149 2.648 4.837 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.124 1.109 5.675 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.526 1.848 7.372 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.494 2.832 6.293 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.546 6.225 7.061 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.749 4.963 7.420 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.188 5.207 5.749 1.00 0.00 H new ATOM 368 N GLN A 25 6.350 0.443 5.943 1.00 0.00 N ATOM 369 CA GLN A 25 7.667 0.248 6.593 1.00 0.00 C ATOM 370 C GLN A 25 8.691 -0.224 5.555 1.00 0.00 C ATOM 371 O GLN A 25 9.606 0.497 5.211 1.00 0.00 O ATOM 372 CB GLN A 25 7.393 -0.828 7.645 1.00 0.00 C ATOM 373 CG GLN A 25 8.670 -1.617 7.945 1.00 0.00 C ATOM 374 CD GLN A 25 8.551 -2.289 9.315 1.00 0.00 C ATOM 375 OE1 GLN A 25 7.371 -2.598 9.778 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 9.543 -2.535 9.972 1.00 0.00 N flip ATOM 0 H GLN A 25 5.592 -0.110 6.342 1.00 0.00 H new ATOM 0 HA GLN A 25 8.079 1.155 7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.020 -0.366 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.615 -1.504 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.834 -2.369 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.533 -0.951 7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.466 -2.294 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.453 -2.982 10.884 1.00 0.00 H new ATOM 385 N ALA A 26 8.554 -1.426 5.052 1.00 0.00 N ATOM 386 CA ALA A 26 9.544 -1.906 4.039 1.00 0.00 C ATOM 387 C ALA A 26 9.794 -0.832 2.954 1.00 0.00 C ATOM 388 O ALA A 26 10.910 -0.425 2.735 1.00 0.00 O ATOM 389 CB ALA A 26 8.915 -3.162 3.446 1.00 0.00 C ATOM 0 H ALA A 26 7.814 -2.085 5.293 1.00 0.00 H new ATOM 0 HA ALA A 26 10.519 -2.111 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.580 -3.580 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.756 -3.897 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.959 -2.909 2.988 1.00 0.00 H new ATOM 395 N ALA A 27 8.775 -0.360 2.281 1.00 0.00 N ATOM 396 CA ALA A 27 8.976 0.692 1.233 1.00 0.00 C ATOM 397 C ALA A 27 9.861 1.811 1.773 1.00 0.00 C ATOM 398 O ALA A 27 10.815 2.221 1.144 1.00 0.00 O ATOM 399 CB ALA A 27 7.573 1.221 0.931 1.00 0.00 C ATOM 0 H ALA A 27 7.808 -0.658 2.411 1.00 0.00 H new ATOM 0 HA ALA A 27 9.466 0.299 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.633 1.999 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.947 0.406 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.137 1.636 1.840 1.00 0.00 H new ATOM 405 N VAL A 28 9.563 2.295 2.942 1.00 0.00 N ATOM 406 CA VAL A 28 10.397 3.375 3.533 1.00 0.00 C ATOM 407 C VAL A 28 11.769 2.800 3.944 1.00 0.00 C ATOM 408 O VAL A 28 12.633 3.505 4.424 1.00 0.00 O ATOM 409 CB VAL A 28 9.565 3.872 4.731 1.00 0.00 C ATOM 410 CG1 VAL A 28 10.345 3.742 6.046 1.00 0.00 C ATOM 411 CG2 VAL A 28 9.195 5.338 4.510 1.00 0.00 C ATOM 0 H VAL A 28 8.777 1.990 3.516 1.00 0.00 H new ATOM 0 HA VAL A 28 10.621 4.195 2.850 1.00 0.00 H new ATOM 0 HB VAL A 28 8.668 3.257 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.730 4.101 6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.603 2.696 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.257 4.336 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.606 5.696 5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.104 5.934 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.611 5.432 3.595 1.00 0.00 H new ATOM 421 N SER A 29 11.963 1.521 3.749 1.00 0.00 N ATOM 422 CA SER A 29 13.258 0.875 4.110 1.00 0.00 C ATOM 423 C SER A 29 14.092 0.660 2.853 1.00 0.00 C ATOM 424 O SER A 29 15.306 0.664 2.885 1.00 0.00 O ATOM 425 CB SER A 29 12.829 -0.459 4.680 1.00 0.00 C ATOM 426 OG SER A 29 13.441 -1.521 3.960 1.00 0.00 O ATOM 0 H SER A 29 11.269 0.890 3.349 1.00 0.00 H new ATOM 0 HA SER A 29 13.862 1.464 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.104 -0.518 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.744 -0.553 4.628 1.00 0.00 H new ATOM 0 HG SER A 29 12.921 -1.710 3.151 1.00 0.00 H new ATOM 432 N ASN A 30 13.434 0.480 1.742 1.00 0.00 N ATOM 433 CA ASN A 30 14.150 0.271 0.481 1.00 0.00 C ATOM 434 C ASN A 30 14.211 1.607 -0.244 1.00 0.00 C ATOM 435 O ASN A 30 14.813 1.740 -1.291 1.00 0.00 O ATOM 436 CB ASN A 30 13.282 -0.718 -0.287 1.00 0.00 C ATOM 437 CG ASN A 30 13.213 -2.035 0.478 1.00 0.00 C ATOM 438 OD1 ASN A 30 12.512 -2.084 1.570 1.00 0.00 O flip ATOM 439 ND2 ASN A 30 13.799 -3.021 0.080 1.00 0.00 N flip ATOM 0 H ASN A 30 12.417 0.471 1.667 1.00 0.00 H new ATOM 0 HA ASN A 30 15.168 -0.101 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.280 -0.311 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.695 -0.884 -1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.348 -2.976 -0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.742 -3.894 0.604 1.00 0.00 H new ATOM 446 N GLY A 31 13.593 2.606 0.330 1.00 0.00 N ATOM 447 CA GLY A 31 13.616 3.956 -0.306 1.00 0.00 C ATOM 448 C GLY A 31 12.430 4.108 -1.262 1.00 0.00 C ATOM 449 O GLY A 31 12.517 4.784 -2.268 1.00 0.00 O ATOM 0 H GLY A 31 13.076 2.546 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.576 4.729 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.551 4.095 -0.849 1.00 0.00 H new ATOM 453 N ILE A 32 11.321 3.498 -0.952 1.00 0.00 N ATOM 454 CA ILE A 32 10.126 3.620 -1.836 1.00 0.00 C ATOM 455 C ILE A 32 9.424 4.942 -1.553 1.00 0.00 C ATOM 456 O ILE A 32 9.372 5.827 -2.385 1.00 0.00 O ATOM 457 CB ILE A 32 9.261 2.410 -1.469 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.917 1.155 -2.049 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.844 2.554 -2.031 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.913 0.004 -2.059 1.00 0.00 C ATOM 0 H ILE A 32 11.189 2.919 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 32 10.360 3.624 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 32 9.186 2.340 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.268 1.352 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.790 0.883 -1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.253 1.681 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.380 3.451 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.890 2.633 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.385 -0.887 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.583 -0.200 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.053 0.277 -2.671 1.00 0.00 H new ATOM 635 N THR A 47 -0.669 10.154 2.666 1.00 0.00 N ATOM 636 CA THR A 47 0.619 10.093 1.920 1.00 0.00 C ATOM 637 C THR A 47 0.811 8.676 1.385 1.00 0.00 C ATOM 638 O THR A 47 1.573 8.436 0.470 1.00 0.00 O ATOM 639 CB THR A 47 1.702 10.442 2.943 1.00 0.00 C ATOM 640 OG1 THR A 47 1.720 11.847 3.158 1.00 0.00 O ATOM 641 CG2 THR A 47 3.063 9.988 2.415 1.00 0.00 C ATOM 0 HA THR A 47 0.651 10.776 1.071 1.00 0.00 H new ATOM 0 HB THR A 47 1.489 9.936 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.413 12.069 3.815 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.836 10.236 3.142 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.049 8.910 2.253 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.275 10.494 1.473 1.00 0.00 H new ATOM 649 N CYS A 48 0.112 7.738 1.958 1.00 0.00 N ATOM 650 CA CYS A 48 0.226 6.327 1.507 1.00 0.00 C ATOM 651 C CYS A 48 -0.957 5.960 0.619 1.00 0.00 C ATOM 652 O CYS A 48 -1.381 4.824 0.588 1.00 0.00 O ATOM 653 CB CYS A 48 0.159 5.513 2.790 1.00 0.00 C ATOM 654 SG CYS A 48 -1.440 5.818 3.580 1.00 0.00 S ATOM 0 H CYS A 48 -0.540 7.892 2.727 1.00 0.00 H new ATOM 0 HA CYS A 48 1.136 6.151 0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.277 4.452 2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.972 5.794 3.460 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.407 5.389 4.807 1.00 0.00 H new ATOM 659 N HIS A 49 -1.512 6.896 -0.095 1.00 0.00 N ATOM 660 CA HIS A 49 -2.666 6.533 -0.953 1.00 0.00 C ATOM 661 C HIS A 49 -2.208 5.579 -2.043 1.00 0.00 C ATOM 662 O HIS A 49 -1.585 5.978 -3.006 1.00 0.00 O ATOM 663 CB HIS A 49 -3.180 7.824 -1.583 1.00 0.00 C ATOM 664 CG HIS A 49 -4.348 7.454 -2.449 1.00 0.00 C ATOM 665 ND1 HIS A 49 -5.014 6.264 -2.271 1.00 0.00 N ATOM 666 CD2 HIS A 49 -4.959 8.067 -3.505 1.00 0.00 C ATOM 667 CE1 HIS A 49 -5.970 6.181 -3.187 1.00 0.00 C ATOM 668 NE2 HIS A 49 -5.991 7.257 -3.977 1.00 0.00 N ATOM 0 H HIS A 49 -1.224 7.874 -0.122 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.448 6.045 -0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.480 8.536 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.399 8.303 -2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.808 5.565 -1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -4.685 9.030 -3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.648 5.346 -3.282 1.00 0.00 H new ATOM 676 N VAL A 50 -2.512 4.324 -1.912 1.00 0.00 N ATOM 677 CA VAL A 50 -2.088 3.366 -2.960 1.00 0.00 C ATOM 678 C VAL A 50 -3.191 2.356 -3.196 1.00 0.00 C ATOM 679 O VAL A 50 -4.276 2.450 -2.658 1.00 0.00 O ATOM 680 CB VAL A 50 -0.836 2.641 -2.434 1.00 0.00 C ATOM 681 CG1 VAL A 50 -0.057 3.521 -1.455 1.00 0.00 C ATOM 682 CG2 VAL A 50 -1.268 1.342 -1.740 1.00 0.00 C ATOM 0 H VAL A 50 -3.031 3.922 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.877 3.882 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.180 2.417 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.822 2.982 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.257 4.435 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.694 3.774 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.388 0.821 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.933 1.577 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.790 0.704 -2.454 1.00 0.00 H new ATOM 692 N TYR A 51 -2.905 1.383 -3.987 1.00 0.00 N ATOM 693 CA TYR A 51 -3.899 0.350 -4.259 1.00 0.00 C ATOM 694 C TYR A 51 -3.242 -1.024 -4.321 1.00 0.00 C ATOM 695 O TYR A 51 -2.559 -1.358 -5.250 1.00 0.00 O ATOM 696 CB TYR A 51 -4.395 0.767 -5.598 1.00 0.00 C ATOM 697 CG TYR A 51 -5.166 2.049 -5.438 1.00 0.00 C ATOM 698 CD1 TYR A 51 -6.471 2.013 -4.952 1.00 0.00 C ATOM 699 CD2 TYR A 51 -4.592 3.272 -5.811 1.00 0.00 C ATOM 700 CE1 TYR A 51 -7.202 3.193 -4.831 1.00 0.00 C ATOM 701 CE2 TYR A 51 -5.335 4.448 -5.716 1.00 0.00 C ATOM 702 CZ TYR A 51 -6.636 4.414 -5.226 1.00 0.00 C ATOM 703 OH TYR A 51 -7.370 5.591 -5.171 1.00 0.00 O ATOM 0 H TYR A 51 -2.010 1.261 -4.462 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.679 0.263 -3.503 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.561 0.909 -6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.031 -0.008 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.916 1.071 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.575 3.303 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.206 3.167 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.899 5.387 -6.024 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.764 6.358 -5.245 1.00 0.00 H new ATOM 713 N VAL A 52 -3.442 -1.829 -3.346 1.00 0.00 N ATOM 714 CA VAL A 52 -2.821 -3.171 -3.382 1.00 0.00 C ATOM 715 C VAL A 52 -3.514 -4.013 -4.440 1.00 0.00 C ATOM 716 O VAL A 52 -4.726 -4.057 -4.502 1.00 0.00 O ATOM 717 CB VAL A 52 -3.071 -3.765 -1.991 1.00 0.00 C ATOM 718 CG1 VAL A 52 -2.156 -4.955 -1.739 1.00 0.00 C ATOM 719 CG2 VAL A 52 -2.837 -2.706 -0.924 1.00 0.00 C ATOM 0 H VAL A 52 -4.007 -1.626 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.758 -3.136 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.106 -4.105 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.351 -5.360 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.344 -5.724 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.116 -4.634 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.017 -3.136 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.808 -2.351 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.518 -1.871 -1.085 1.00 0.00 H new ATOM 729 N ASN A 53 -2.771 -4.706 -5.258 1.00 0.00 N ATOM 730 CA ASN A 53 -3.435 -5.561 -6.272 1.00 0.00 C ATOM 731 C ASN A 53 -4.576 -6.330 -5.614 1.00 0.00 C ATOM 732 O ASN A 53 -4.534 -6.630 -4.440 1.00 0.00 O ATOM 733 CB ASN A 53 -2.394 -6.555 -6.779 1.00 0.00 C ATOM 734 CG ASN A 53 -1.433 -6.970 -5.688 1.00 0.00 C ATOM 735 OD1 ASN A 53 -0.453 -7.603 -5.970 1.00 0.00 O ATOM 736 ND2 ASN A 53 -1.695 -6.747 -4.444 1.00 0.00 N ATOM 0 H ASN A 53 -1.751 -4.716 -5.267 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.833 -4.957 -7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.897 -7.437 -7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.837 -6.109 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.074 -7.107 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.523 -6.211 -4.185 1.00 0.00 H new ATOM 743 N GLU A 54 -5.586 -6.662 -6.356 1.00 0.00 N ATOM 744 CA GLU A 54 -6.715 -7.426 -5.752 1.00 0.00 C ATOM 745 C GLU A 54 -6.220 -8.784 -5.235 1.00 0.00 C ATOM 746 O GLU A 54 -6.948 -9.502 -4.578 1.00 0.00 O ATOM 747 CB GLU A 54 -7.743 -7.616 -6.875 1.00 0.00 C ATOM 748 CG GLU A 54 -7.033 -7.944 -8.191 1.00 0.00 C ATOM 749 CD GLU A 54 -8.002 -8.673 -9.122 1.00 0.00 C ATOM 750 OE1 GLU A 54 -9.034 -8.101 -9.436 1.00 0.00 O ATOM 751 OE2 GLU A 54 -7.698 -9.789 -9.507 1.00 0.00 O ATOM 0 H GLU A 54 -5.684 -6.442 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.150 -6.899 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.432 -8.419 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.338 -6.710 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.677 -7.028 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.158 -8.565 -8.000 1.00 0.00 H new ATOM 758 N ALA A 55 -4.996 -9.151 -5.530 1.00 0.00 N ATOM 759 CA ALA A 55 -4.484 -10.470 -5.051 1.00 0.00 C ATOM 760 C ALA A 55 -3.762 -10.334 -3.707 1.00 0.00 C ATOM 761 O ALA A 55 -3.208 -11.284 -3.201 1.00 0.00 O ATOM 762 CB ALA A 55 -3.510 -10.948 -6.132 1.00 0.00 C ATOM 0 H ALA A 55 -4.336 -8.599 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.300 -11.174 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.094 -11.914 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.039 -11.047 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.703 -10.224 -6.241 1.00 0.00 H new ATOM 768 N PHE A 56 -3.767 -9.176 -3.118 1.00 0.00 N ATOM 769 CA PHE A 56 -3.102 -9.022 -1.787 1.00 0.00 C ATOM 770 C PHE A 56 -3.936 -8.111 -0.899 1.00 0.00 C ATOM 771 O PHE A 56 -3.557 -7.777 0.195 1.00 0.00 O ATOM 772 CB PHE A 56 -1.738 -8.395 -2.036 1.00 0.00 C ATOM 773 CG PHE A 56 -0.910 -9.326 -2.894 1.00 0.00 C ATOM 774 CD1 PHE A 56 -1.157 -9.469 -4.272 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.081 -10.095 -2.279 1.00 0.00 C ATOM 776 CE1 PHE A 56 -0.418 -10.397 -5.018 1.00 0.00 C ATOM 777 CE2 PHE A 56 0.822 -11.014 -3.013 1.00 0.00 C ATOM 778 CZ PHE A 56 0.564 -11.181 -4.391 1.00 0.00 C ATOM 0 H PHE A 56 -4.198 -8.331 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.000 -9.986 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.853 -7.431 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.232 -8.208 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.913 -8.866 -4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.273 -9.974 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.604 -10.509 -6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.592 -11.598 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.120 -11.910 -4.961 1.00 0.00 H new ATOM 788 N THR A 57 -5.071 -7.706 -1.355 1.00 0.00 N ATOM 789 CA THR A 57 -5.916 -6.833 -0.504 1.00 0.00 C ATOM 790 C THR A 57 -6.823 -7.727 0.335 1.00 0.00 C ATOM 791 O THR A 57 -7.175 -7.423 1.456 1.00 0.00 O ATOM 792 CB THR A 57 -6.740 -5.976 -1.467 1.00 0.00 C ATOM 793 OG1 THR A 57 -7.784 -6.764 -2.021 1.00 0.00 O ATOM 794 CG2 THR A 57 -5.846 -5.453 -2.589 1.00 0.00 C ATOM 0 H THR A 57 -5.455 -7.935 -2.272 1.00 0.00 H new ATOM 0 HA THR A 57 -5.336 -6.201 0.168 1.00 0.00 H new ATOM 0 HB THR A 57 -7.166 -5.131 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.998 -6.438 -2.920 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.438 -4.843 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.045 -4.848 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.416 -6.294 -3.133 1.00 0.00 H new ATOM 802 N ASP A 58 -7.206 -8.838 -0.237 1.00 0.00 N ATOM 803 CA ASP A 58 -8.102 -9.793 0.468 1.00 0.00 C ATOM 804 C ASP A 58 -7.284 -10.946 1.046 1.00 0.00 C ATOM 805 O ASP A 58 -7.798 -11.834 1.697 1.00 0.00 O ATOM 806 CB ASP A 58 -9.075 -10.262 -0.635 1.00 0.00 C ATOM 807 CG ASP A 58 -9.069 -11.791 -0.777 1.00 0.00 C ATOM 808 OD1 ASP A 58 -9.523 -12.455 0.141 1.00 0.00 O ATOM 809 OD2 ASP A 58 -8.609 -12.269 -1.800 1.00 0.00 O ATOM 0 H ASP A 58 -6.930 -9.125 -1.176 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.633 -9.358 1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.084 -9.921 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.797 -9.806 -1.585 1.00 0.00 H new ATOM 814 N LYS A 59 -6.019 -10.923 0.805 1.00 0.00 N ATOM 815 CA LYS A 59 -5.123 -11.986 1.311 1.00 0.00 C ATOM 816 C LYS A 59 -4.451 -11.462 2.555 1.00 0.00 C ATOM 817 O LYS A 59 -4.409 -12.084 3.598 1.00 0.00 O ATOM 818 CB LYS A 59 -4.095 -12.131 0.212 1.00 0.00 C ATOM 819 CG LYS A 59 -4.784 -12.021 -1.160 1.00 0.00 C ATOM 820 CD LYS A 59 -4.341 -13.180 -2.058 1.00 0.00 C ATOM 821 CE LYS A 59 -4.815 -14.507 -1.459 1.00 0.00 C ATOM 822 NZ LYS A 59 -4.220 -15.567 -2.327 1.00 0.00 N ATOM 0 H LYS A 59 -5.552 -10.195 0.265 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.626 -12.924 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.332 -11.358 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.588 -13.092 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.867 -12.039 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.532 -11.069 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.752 -13.054 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.256 -13.182 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.484 -14.613 -0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.903 -14.569 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.503 -16.504 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.559 -15.447 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.183 -15.489 -2.308 1.00 0.00 H new ATOM 836 N VAL A 60 -3.943 -10.286 2.417 1.00 0.00 N ATOM 837 CA VAL A 60 -3.265 -9.599 3.523 1.00 0.00 C ATOM 838 C VAL A 60 -4.360 -9.174 4.519 1.00 0.00 C ATOM 839 O VAL A 60 -5.508 -9.513 4.311 1.00 0.00 O ATOM 840 CB VAL A 60 -2.543 -8.478 2.754 1.00 0.00 C ATOM 841 CG1 VAL A 60 -2.929 -7.064 3.200 1.00 0.00 C ATOM 842 CG2 VAL A 60 -1.050 -8.726 2.836 1.00 0.00 C ATOM 0 H VAL A 60 -3.972 -9.754 1.547 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.550 -10.144 4.139 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.868 -8.516 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.377 -6.333 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.999 -6.916 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.686 -6.936 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.521 -7.941 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.737 -8.723 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.817 -9.693 2.391 1.00 0.00 H new ATOM 852 N PRO A 61 -4.014 -8.505 5.589 1.00 0.00 N ATOM 853 CA PRO A 61 -5.052 -8.153 6.576 1.00 0.00 C ATOM 854 C PRO A 61 -6.044 -7.137 6.021 1.00 0.00 C ATOM 855 O PRO A 61 -5.703 -6.104 5.480 1.00 0.00 O ATOM 856 CB PRO A 61 -4.275 -7.670 7.791 1.00 0.00 C ATOM 857 CG PRO A 61 -2.937 -7.261 7.274 1.00 0.00 C ATOM 858 CD PRO A 61 -2.692 -8.008 5.979 1.00 0.00 C ATOM 0 HA PRO A 61 -5.690 -8.996 6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.781 -6.834 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.183 -8.460 8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.905 -6.185 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.159 -7.493 8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.273 -7.353 5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.986 -8.826 6.120 1.00 0.00 H new ATOM 866 N ALA A 62 -7.287 -7.493 6.148 1.00 0.00 N ATOM 867 CA ALA A 62 -8.416 -6.677 5.647 1.00 0.00 C ATOM 868 C ALA A 62 -8.632 -5.452 6.515 1.00 0.00 C ATOM 869 O ALA A 62 -9.613 -5.338 7.223 1.00 0.00 O ATOM 870 CB ALA A 62 -9.619 -7.606 5.736 1.00 0.00 C ATOM 0 H ALA A 62 -7.576 -8.360 6.602 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.239 -6.308 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.509 -7.084 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.445 -8.486 5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.765 -7.913 6.771 1.00 0.00 H new ATOM 876 N ALA A 63 -7.717 -4.545 6.452 1.00 0.00 N ATOM 877 CA ALA A 63 -7.833 -3.287 7.256 1.00 0.00 C ATOM 878 C ALA A 63 -9.296 -2.829 7.286 1.00 0.00 C ATOM 879 O ALA A 63 -10.087 -3.212 6.447 1.00 0.00 O ATOM 880 CB ALA A 63 -6.972 -2.257 6.520 1.00 0.00 C ATOM 0 H ALA A 63 -6.879 -4.610 5.875 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.508 -3.423 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.008 -1.306 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.941 -2.609 6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.353 -2.121 5.508 1.00 0.00 H new ATOM 886 N ASN A 64 -9.679 -2.041 8.255 1.00 0.00 N ATOM 887 CA ASN A 64 -11.108 -1.616 8.320 1.00 0.00 C ATOM 888 C ASN A 64 -11.263 -0.094 8.418 1.00 0.00 C ATOM 889 O ASN A 64 -10.473 0.669 7.901 1.00 0.00 O ATOM 890 CB ASN A 64 -11.655 -2.291 9.579 1.00 0.00 C ATOM 891 CG ASN A 64 -10.972 -1.701 10.814 1.00 0.00 C ATOM 892 OD1 ASN A 64 -10.168 -0.797 10.706 1.00 0.00 O ATOM 893 ND2 ASN A 64 -11.260 -2.179 11.993 1.00 0.00 N ATOM 0 H ASN A 64 -9.076 -1.678 8.993 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.643 -1.902 7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.733 -2.146 9.643 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.480 -3.366 9.533 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.810 -1.794 12.823 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.935 -2.938 12.085 1.00 0.00 H new ATOM 900 N GLU A 65 -12.312 0.327 9.066 1.00 0.00 N ATOM 901 CA GLU A 65 -12.616 1.782 9.216 1.00 0.00 C ATOM 902 C GLU A 65 -11.349 2.623 9.390 1.00 0.00 C ATOM 903 O GLU A 65 -11.303 3.768 8.985 1.00 0.00 O ATOM 904 CB GLU A 65 -13.504 1.865 10.462 1.00 0.00 C ATOM 905 CG GLU A 65 -12.674 1.590 11.719 1.00 0.00 C ATOM 906 CD GLU A 65 -13.536 0.846 12.744 1.00 0.00 C ATOM 907 OE1 GLU A 65 -14.228 1.509 13.499 1.00 0.00 O ATOM 908 OE2 GLU A 65 -13.486 -0.372 12.757 1.00 0.00 O ATOM 0 H GLU A 65 -12.991 -0.291 9.510 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.103 2.181 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.961 2.852 10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.316 1.142 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.796 0.996 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.313 2.527 12.142 1.00 0.00 H new ATOM 915 N ARG A 66 -10.321 2.085 9.980 1.00 0.00 N ATOM 916 CA ARG A 66 -9.082 2.895 10.154 1.00 0.00 C ATOM 917 C ARG A 66 -8.643 3.453 8.798 1.00 0.00 C ATOM 918 O ARG A 66 -8.787 4.628 8.522 1.00 0.00 O ATOM 919 CB ARG A 66 -8.040 1.921 10.704 1.00 0.00 C ATOM 920 CG ARG A 66 -7.568 2.406 12.076 1.00 0.00 C ATOM 921 CD ARG A 66 -6.469 1.478 12.599 1.00 0.00 C ATOM 922 NE ARG A 66 -7.164 0.201 12.928 1.00 0.00 N ATOM 923 CZ ARG A 66 -8.023 0.158 13.909 1.00 0.00 C ATOM 924 NH1 ARG A 66 -9.247 0.568 13.724 1.00 0.00 N ATOM 925 NH2 ARG A 66 -7.659 -0.299 15.076 1.00 0.00 N ATOM 0 H ARG A 66 -10.282 1.133 10.345 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.225 3.744 10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.467 0.922 10.786 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.194 1.851 10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.192 3.426 12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.405 2.424 12.774 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.694 1.323 11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.982 1.900 13.478 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.968 -0.640 12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.534 0.923 12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.918 0.534 14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.703 -0.623 15.221 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.331 -0.332 15.843 1.00 0.00 H new ATOM 939 N GLU A 67 -8.117 2.618 7.949 1.00 0.00 N ATOM 940 CA GLU A 67 -7.678 3.093 6.607 1.00 0.00 C ATOM 941 C GLU A 67 -8.895 3.496 5.767 1.00 0.00 C ATOM 942 O GLU A 67 -8.862 4.469 5.040 1.00 0.00 O ATOM 943 CB GLU A 67 -6.918 1.898 5.998 1.00 0.00 C ATOM 944 CG GLU A 67 -7.556 1.458 4.674 1.00 0.00 C ATOM 945 CD GLU A 67 -7.027 0.083 4.279 1.00 0.00 C ATOM 946 OE1 GLU A 67 -6.112 -0.391 4.930 1.00 0.00 O ATOM 947 OE2 GLU A 67 -7.550 -0.473 3.328 1.00 0.00 O ATOM 0 H GLU A 67 -7.971 1.624 8.126 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.044 3.978 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.876 2.172 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.919 1.065 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.641 1.425 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.331 2.183 3.892 1.00 0.00 H new ATOM 954 N ILE A 68 -9.966 2.761 5.863 1.00 0.00 N ATOM 955 CA ILE A 68 -11.175 3.109 5.069 1.00 0.00 C ATOM 956 C ILE A 68 -11.471 4.604 5.212 1.00 0.00 C ATOM 957 O ILE A 68 -12.149 5.180 4.392 1.00 0.00 O ATOM 958 CB ILE A 68 -12.294 2.226 5.641 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.467 1.006 4.730 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.617 2.994 5.707 1.00 0.00 C ATOM 961 CD1 ILE A 68 -11.685 -0.179 5.299 1.00 0.00 C ATOM 0 H ILE A 68 -10.056 1.936 6.456 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.058 2.930 4.000 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.022 1.919 6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.523 0.750 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.114 1.238 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.393 2.347 6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.499 3.868 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.902 3.315 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.811 -1.044 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.628 0.078 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.059 -0.417 6.295 1.00 0.00 H new ATOM 973 N GLY A 69 -10.953 5.238 6.233 1.00 0.00 N ATOM 974 CA GLY A 69 -11.186 6.700 6.399 1.00 0.00 C ATOM 975 C GLY A 69 -10.064 7.452 5.677 1.00 0.00 C ATOM 976 O GLY A 69 -10.282 8.057 4.647 1.00 0.00 O ATOM 0 H GLY A 69 -10.380 4.805 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.156 6.979 5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.201 6.964 7.456 1.00 0.00 H new ATOM 980 N MET A 70 -8.855 7.406 6.188 1.00 0.00 N ATOM 981 CA MET A 70 -7.741 8.110 5.484 1.00 0.00 C ATOM 982 C MET A 70 -7.760 7.692 4.011 1.00 0.00 C ATOM 983 O MET A 70 -7.424 8.455 3.126 1.00 0.00 O ATOM 984 CB MET A 70 -6.438 7.679 6.183 1.00 0.00 C ATOM 985 CG MET A 70 -6.403 6.160 6.389 1.00 0.00 C ATOM 986 SD MET A 70 -5.604 5.780 7.973 1.00 0.00 S ATOM 987 CE MET A 70 -4.942 4.145 7.539 1.00 0.00 C ATOM 0 H MET A 70 -8.597 6.920 7.047 1.00 0.00 H new ATOM 0 HA MET A 70 -7.834 9.195 5.523 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.581 7.989 5.585 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.354 8.182 7.146 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.416 5.757 6.375 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.860 5.684 5.573 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.916 4.061 7.898 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.553 3.370 8.002 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.959 4.021 6.456 1.00 0.00 H new ATOM 997 N LEU A 71 -8.203 6.492 3.750 1.00 0.00 N ATOM 998 CA LEU A 71 -8.316 6.002 2.345 1.00 0.00 C ATOM 999 C LEU A 71 -9.516 6.689 1.697 1.00 0.00 C ATOM 1000 O LEU A 71 -9.421 7.259 0.641 1.00 0.00 O ATOM 1001 CB LEU A 71 -8.558 4.502 2.497 1.00 0.00 C ATOM 1002 CG LEU A 71 -8.525 3.766 1.153 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -9.955 3.451 0.726 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -7.869 4.611 0.066 1.00 0.00 C ATOM 0 H LEU A 71 -8.496 5.821 4.460 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.443 6.207 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.801 4.080 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.525 4.339 2.974 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.942 2.854 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.942 2.927 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.429 2.821 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.517 4.379 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.864 4.056 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.429 5.537 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.844 4.844 0.355 1.00 0.00 H new ATOM 1016 N GLU A 72 -10.641 6.668 2.339 1.00 0.00 N ATOM 1017 CA GLU A 72 -11.825 7.358 1.762 1.00 0.00 C ATOM 1018 C GLU A 72 -11.463 8.834 1.535 1.00 0.00 C ATOM 1019 O GLU A 72 -12.121 9.546 0.802 1.00 0.00 O ATOM 1020 CB GLU A 72 -12.907 7.209 2.845 1.00 0.00 C ATOM 1021 CG GLU A 72 -13.800 8.452 2.908 1.00 0.00 C ATOM 1022 CD GLU A 72 -15.194 8.055 3.401 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -15.380 8.002 4.606 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -16.051 7.812 2.567 1.00 0.00 O ATOM 0 H GLU A 72 -10.796 6.206 3.235 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.157 6.953 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.517 6.330 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.436 7.047 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.363 9.193 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.869 8.914 1.923 1.00 0.00 H new ATOM 1031 N CYS A 73 -10.424 9.295 2.187 1.00 0.00 N ATOM 1032 CA CYS A 73 -10.009 10.721 2.048 1.00 0.00 C ATOM 1033 C CYS A 73 -9.134 10.935 0.803 1.00 0.00 C ATOM 1034 O CYS A 73 -9.200 11.972 0.172 1.00 0.00 O ATOM 1035 CB CYS A 73 -9.216 11.019 3.323 1.00 0.00 C ATOM 1036 SG CYS A 73 -10.042 12.334 4.253 1.00 0.00 S ATOM 0 H CYS A 73 -9.843 8.738 2.814 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.868 11.381 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.138 10.120 3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.200 11.321 3.070 1.00 0.00 H new ATOM 0 HG CYS A 73 -9.370 12.586 5.337 1.00 0.00 H new ATOM 1042 N VAL A 74 -8.318 9.976 0.442 1.00 0.00 N ATOM 1043 CA VAL A 74 -7.455 10.149 -0.770 1.00 0.00 C ATOM 1044 C VAL A 74 -8.269 10.786 -1.902 1.00 0.00 C ATOM 1045 O VAL A 74 -9.480 10.866 -1.840 1.00 0.00 O ATOM 1046 CB VAL A 74 -7.036 8.760 -1.171 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -6.257 8.097 -0.038 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -8.281 7.970 -1.469 1.00 0.00 C ATOM 0 H VAL A 74 -8.211 9.086 0.929 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.599 10.792 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.391 8.800 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.959 7.093 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.368 8.687 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.886 8.037 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.007 6.957 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.910 7.932 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.829 8.448 -2.281 1.00 0.00 H new ATOM 1058 N THR A 75 -7.621 11.240 -2.934 1.00 0.00 N ATOM 1059 CA THR A 75 -8.359 11.869 -4.055 1.00 0.00 C ATOM 1060 C THR A 75 -8.092 11.123 -5.355 1.00 0.00 C ATOM 1061 O THR A 75 -8.392 11.612 -6.424 1.00 0.00 O ATOM 1062 CB THR A 75 -7.777 13.275 -4.153 1.00 0.00 C ATOM 1063 OG1 THR A 75 -8.127 14.019 -2.996 1.00 0.00 O ATOM 1064 CG2 THR A 75 -8.329 13.961 -5.395 1.00 0.00 C ATOM 0 H THR A 75 -6.608 11.202 -3.048 1.00 0.00 H new ATOM 0 HA THR A 75 -9.436 11.861 -3.890 1.00 0.00 H new ATOM 0 HB THR A 75 -6.691 13.217 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.730 13.599 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.916 14.967 -5.469 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.052 13.389 -6.280 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.415 14.019 -5.326 1.00 0.00 H new ATOM 1072 N ALA A 76 -7.494 9.970 -5.298 1.00 0.00 N ATOM 1073 CA ALA A 76 -7.183 9.271 -6.569 1.00 0.00 C ATOM 1074 C ALA A 76 -8.193 8.176 -6.913 1.00 0.00 C ATOM 1075 O ALA A 76 -9.347 8.196 -6.533 1.00 0.00 O ATOM 1076 CB ALA A 76 -5.803 8.659 -6.350 1.00 0.00 C ATOM 0 H ALA A 76 -7.212 9.489 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.220 9.968 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.497 8.121 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.084 9.450 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.841 7.968 -5.508 1.00 0.00 H new ATOM 1082 N GLU A 77 -7.716 7.244 -7.674 1.00 0.00 N ATOM 1083 CA GLU A 77 -8.518 6.088 -8.173 1.00 0.00 C ATOM 1084 C GLU A 77 -8.971 5.181 -7.027 1.00 0.00 C ATOM 1085 O GLU A 77 -8.546 4.054 -6.903 1.00 0.00 O ATOM 1086 CB GLU A 77 -7.516 5.423 -9.122 1.00 0.00 C ATOM 1087 CG GLU A 77 -7.383 3.916 -8.920 1.00 0.00 C ATOM 1088 CD GLU A 77 -6.641 3.305 -10.110 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -5.424 3.390 -10.133 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -7.302 2.763 -10.980 1.00 0.00 O ATOM 0 H GLU A 77 -6.747 7.231 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.457 6.353 -8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.820 5.617 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.539 5.886 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.843 3.708 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.370 3.463 -8.822 1.00 0.00 H new ATOM 1097 N LEU A 78 -9.775 5.640 -6.125 1.00 0.00 N ATOM 1098 CA LEU A 78 -10.091 4.697 -5.027 1.00 0.00 C ATOM 1099 C LEU A 78 -10.701 3.431 -5.576 1.00 0.00 C ATOM 1100 O LEU A 78 -11.366 3.396 -6.593 1.00 0.00 O ATOM 1101 CB LEU A 78 -10.977 5.334 -3.970 1.00 0.00 C ATOM 1102 CG LEU A 78 -10.584 4.619 -2.670 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -9.813 5.543 -1.744 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -11.791 4.056 -1.945 1.00 0.00 C ATOM 0 H LEU A 78 -10.205 6.564 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.156 4.435 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.806 6.408 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.034 5.194 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.940 3.787 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.549 5.007 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.904 5.882 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.431 6.405 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.467 3.559 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.475 4.866 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.299 3.338 -2.588 1.00 0.00 H new ATOM 1116 N LYS A 79 -10.362 2.378 -4.917 1.00 0.00 N ATOM 1117 CA LYS A 79 -10.750 1.023 -5.326 1.00 0.00 C ATOM 1118 C LYS A 79 -11.595 0.357 -4.253 1.00 0.00 C ATOM 1119 O LYS A 79 -11.757 0.881 -3.168 1.00 0.00 O ATOM 1120 CB LYS A 79 -9.381 0.354 -5.339 1.00 0.00 C ATOM 1121 CG LYS A 79 -8.922 0.023 -6.757 1.00 0.00 C ATOM 1122 CD LYS A 79 -9.304 1.153 -7.708 1.00 0.00 C ATOM 1123 CE LYS A 79 -8.355 1.161 -8.910 1.00 0.00 C ATOM 1124 NZ LYS A 79 -8.178 -0.270 -9.287 1.00 0.00 N ATOM 0 H LYS A 79 -9.801 2.407 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.325 0.979 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.651 1.011 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.418 -0.560 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.842 -0.127 -6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.378 -0.910 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.332 1.025 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.256 2.110 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.773 1.736 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.400 1.620 -8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.886 -0.333 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.447 -0.700 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.077 -0.777 -9.157 1.00 0.00 H new ATOM 1138 N PRO A 80 -12.026 -0.824 -4.560 1.00 0.00 N ATOM 1139 CA PRO A 80 -12.763 -1.622 -3.574 1.00 0.00 C ATOM 1140 C PRO A 80 -11.726 -2.146 -2.583 1.00 0.00 C ATOM 1141 O PRO A 80 -12.011 -2.441 -1.438 1.00 0.00 O ATOM 1142 CB PRO A 80 -13.359 -2.757 -4.397 1.00 0.00 C ATOM 1143 CG PRO A 80 -12.472 -2.877 -5.596 1.00 0.00 C ATOM 1144 CD PRO A 80 -11.869 -1.517 -5.842 1.00 0.00 C ATOM 0 HA PRO A 80 -13.537 -1.089 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.381 -3.687 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -14.386 -2.536 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.692 -3.619 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.042 -3.208 -6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.820 -1.591 -6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.384 -0.991 -6.646 1.00 0.00 H new ATOM 1152 N ASN A 81 -10.507 -2.250 -3.050 1.00 0.00 N ATOM 1153 CA ASN A 81 -9.389 -2.741 -2.200 1.00 0.00 C ATOM 1154 C ASN A 81 -8.368 -1.616 -1.928 1.00 0.00 C ATOM 1155 O ASN A 81 -7.225 -1.881 -1.609 1.00 0.00 O ATOM 1156 CB ASN A 81 -8.740 -3.849 -3.033 1.00 0.00 C ATOM 1157 CG ASN A 81 -8.385 -3.299 -4.419 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -9.213 -2.703 -5.079 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -7.180 -3.475 -4.892 1.00 0.00 N ATOM 0 H ASN A 81 -10.239 -2.009 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.735 -3.088 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.843 -4.217 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.421 -4.695 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.936 -3.112 -5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.483 -3.975 -4.340 1.00 0.00 H new ATOM 1166 N SER A 82 -8.761 -0.366 -2.037 1.00 0.00 N ATOM 1167 CA SER A 82 -7.792 0.747 -1.765 1.00 0.00 C ATOM 1168 C SER A 82 -7.035 0.453 -0.479 1.00 0.00 C ATOM 1169 O SER A 82 -7.501 -0.287 0.364 1.00 0.00 O ATOM 1170 CB SER A 82 -8.643 1.991 -1.586 1.00 0.00 C ATOM 1171 OG SER A 82 -8.242 2.951 -2.535 1.00 0.00 O ATOM 0 H SER A 82 -9.701 -0.071 -2.300 1.00 0.00 H new ATOM 0 HA SER A 82 -7.064 0.865 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.698 1.749 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.528 2.386 -0.577 1.00 0.00 H new ATOM 0 HG SER A 82 -7.645 2.533 -3.191 1.00 0.00 H new ATOM 1177 N ARG A 83 -5.871 1.014 -0.309 1.00 0.00 N ATOM 1178 CA ARG A 83 -5.125 0.725 0.942 1.00 0.00 C ATOM 1179 C ARG A 83 -4.192 1.862 1.311 1.00 0.00 C ATOM 1180 O ARG A 83 -3.716 2.610 0.480 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.291 -0.511 0.647 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.117 -1.786 0.865 1.00 0.00 C ATOM 1183 CD ARG A 83 -5.522 -1.911 2.333 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.870 -2.535 2.290 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.027 -3.777 2.655 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -6.020 -4.604 2.617 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -8.190 -4.197 3.058 1.00 0.00 N ATOM 0 H ARG A 83 -5.414 1.646 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.818 0.588 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.931 -0.476 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.413 -0.526 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.007 -1.763 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.537 -2.659 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.816 -2.527 2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.550 -0.937 2.822 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.673 -1.991 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.106 -4.280 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.146 -5.575 2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.982 -3.554 3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.311 -5.169 3.343 1.00 0.00 H new ATOM 1201 N LEU A 84 -3.898 1.948 2.566 1.00 0.00 N ATOM 1202 CA LEU A 84 -2.959 2.972 3.065 1.00 0.00 C ATOM 1203 C LEU A 84 -1.721 2.218 3.531 1.00 0.00 C ATOM 1204 O LEU A 84 -1.729 1.606 4.574 1.00 0.00 O ATOM 1205 CB LEU A 84 -3.682 3.640 4.241 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.842 4.543 3.763 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -4.403 6.007 3.813 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -5.274 4.206 2.330 1.00 0.00 C ATOM 0 H LEU A 84 -4.279 1.335 3.286 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.665 3.723 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.071 2.874 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.971 4.235 4.815 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.689 4.371 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.221 6.644 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.135 6.272 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.540 6.150 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.091 4.863 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.431 4.346 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.607 3.169 2.285 1.00 0.00 H new ATOM 1220 N CYS A 85 -0.694 2.204 2.729 1.00 0.00 N ATOM 1221 CA CYS A 85 0.540 1.435 3.071 1.00 0.00 C ATOM 1222 C CYS A 85 0.779 1.343 4.588 1.00 0.00 C ATOM 1223 O CYS A 85 1.309 0.360 5.065 1.00 0.00 O ATOM 1224 CB CYS A 85 1.669 2.177 2.365 1.00 0.00 C ATOM 1225 SG CYS A 85 1.459 2.008 0.580 1.00 0.00 S ATOM 0 H CYS A 85 -0.654 2.699 1.838 1.00 0.00 H new ATOM 0 HA CYS A 85 0.463 0.397 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.661 3.230 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.634 1.772 2.670 1.00 0.00 H new ATOM 0 HG CYS A 85 2.156 2.922 -0.027 1.00 0.00 H new ATOM 1231 N CYS A 86 0.388 2.328 5.362 1.00 0.00 N ATOM 1232 CA CYS A 86 0.611 2.217 6.838 1.00 0.00 C ATOM 1233 C CYS A 86 -0.366 1.203 7.459 1.00 0.00 C ATOM 1234 O CYS A 86 -0.367 0.987 8.654 1.00 0.00 O ATOM 1235 CB CYS A 86 0.413 3.628 7.431 1.00 0.00 C ATOM 1236 SG CYS A 86 -1.253 4.262 7.134 1.00 0.00 S ATOM 0 H CYS A 86 -0.066 3.185 5.045 1.00 0.00 H new ATOM 0 HA CYS A 86 1.615 1.854 7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.604 3.600 8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.143 4.310 6.995 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.365 5.448 7.654 1.00 0.00 H new ATOM 1241 N GLN A 87 -1.192 0.575 6.658 1.00 0.00 N ATOM 1242 CA GLN A 87 -2.156 -0.424 7.214 1.00 0.00 C ATOM 1243 C GLN A 87 -2.044 -1.782 6.498 1.00 0.00 C ATOM 1244 O GLN A 87 -2.637 -2.759 6.912 1.00 0.00 O ATOM 1245 CB GLN A 87 -3.535 0.191 6.981 1.00 0.00 C ATOM 1246 CG GLN A 87 -4.415 -0.048 8.208 1.00 0.00 C ATOM 1247 CD GLN A 87 -3.707 0.483 9.456 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -2.794 1.405 9.328 1.00 0.00 O flip ATOM 1249 NE2 GLN A 87 -3.990 0.055 10.558 1.00 0.00 N flip ATOM 0 H GLN A 87 -1.240 0.710 5.648 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.959 -0.624 8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.440 1.260 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.997 -0.250 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.376 0.451 8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.621 -1.113 8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.704 -0.666 10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.513 0.417 11.384 1.00 0.00 H new ATOM 1258 N ILE A 88 -1.301 -1.856 5.429 1.00 0.00 N ATOM 1259 CA ILE A 88 -1.174 -3.158 4.695 1.00 0.00 C ATOM 1260 C ILE A 88 0.010 -3.975 5.251 1.00 0.00 C ATOM 1261 O ILE A 88 1.141 -3.553 5.189 1.00 0.00 O ATOM 1262 CB ILE A 88 -0.948 -2.762 3.219 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -2.293 -2.750 2.487 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -0.001 -3.749 2.526 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.776 -4.181 2.245 1.00 0.00 C ATOM 0 H ILE A 88 -0.776 -1.078 5.029 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.055 -3.790 4.807 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.496 -1.771 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.031 -2.204 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.193 -2.227 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.142 -3.448 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.961 -3.752 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.432 -4.750 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.733 -4.159 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.045 -4.714 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.895 -4.691 3.201 1.00 0.00 H new ATOM 1277 N ILE A 89 -0.247 -5.148 5.779 1.00 0.00 N ATOM 1278 CA ILE A 89 0.865 -5.994 6.320 1.00 0.00 C ATOM 1279 C ILE A 89 1.193 -7.108 5.325 1.00 0.00 C ATOM 1280 O ILE A 89 0.318 -7.758 4.789 1.00 0.00 O ATOM 1281 CB ILE A 89 0.349 -6.573 7.650 1.00 0.00 C ATOM 1282 CG1 ILE A 89 0.796 -5.687 8.822 1.00 0.00 C ATOM 1283 CG2 ILE A 89 0.902 -7.994 7.873 1.00 0.00 C ATOM 1284 CD1 ILE A 89 0.781 -4.216 8.408 1.00 0.00 C ATOM 0 H ILE A 89 -1.178 -5.556 5.859 1.00 0.00 H new ATOM 0 HA ILE A 89 1.779 -5.422 6.477 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.739 -6.607 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.135 -5.839 9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.798 -5.972 9.141 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.526 -8.386 8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.580 -8.642 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.991 -7.960 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.100 -3.598 9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.461 -4.067 7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.229 -3.932 8.111 1.00 0.00 H new ATOM 1296 N MET A 90 2.446 -7.325 5.084 1.00 0.00 N ATOM 1297 CA MET A 90 2.861 -8.385 4.136 1.00 0.00 C ATOM 1298 C MET A 90 2.902 -9.735 4.827 1.00 0.00 C ATOM 1299 O MET A 90 3.642 -9.918 5.757 1.00 0.00 O ATOM 1300 CB MET A 90 4.263 -7.965 3.702 1.00 0.00 C ATOM 1301 CG MET A 90 4.456 -8.276 2.223 1.00 0.00 C ATOM 1302 SD MET A 90 3.101 -7.544 1.275 1.00 0.00 S ATOM 1303 CE MET A 90 2.244 -9.103 0.949 1.00 0.00 C ATOM 0 H MET A 90 3.214 -6.806 5.510 1.00 0.00 H new ATOM 0 HA MET A 90 2.173 -8.489 3.297 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.406 -6.899 3.881 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.011 -8.491 4.295 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.411 -7.880 1.878 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.483 -9.354 2.067 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.183 -8.909 0.793 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.663 -9.569 0.057 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.369 -9.772 1.800 1.00 0.00 H new ATOM 1313 N THR A 91 2.159 -10.701 4.374 1.00 0.00 N ATOM 1314 CA THR A 91 2.253 -12.033 5.051 1.00 0.00 C ATOM 1315 C THR A 91 3.223 -12.908 4.292 1.00 0.00 C ATOM 1316 O THR A 91 3.828 -12.481 3.348 1.00 0.00 O ATOM 1317 CB THR A 91 0.864 -12.671 5.054 1.00 0.00 C ATOM 1318 OG1 THR A 91 0.744 -13.527 3.933 1.00 0.00 O ATOM 1319 CG2 THR A 91 -0.230 -11.619 4.996 1.00 0.00 C ATOM 0 H THR A 91 1.509 -10.639 3.591 1.00 0.00 H new ATOM 0 HA THR A 91 2.607 -11.918 6.075 1.00 0.00 H new ATOM 0 HB THR A 91 0.749 -13.234 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.405 -13.018 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.205 -12.107 5.000 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.150 -10.962 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.122 -11.031 4.084 1.00 0.00 H new ATOM 1327 N PRO A 92 3.341 -14.104 4.744 1.00 0.00 N ATOM 1328 CA PRO A 92 4.258 -15.061 4.122 1.00 0.00 C ATOM 1329 C PRO A 92 3.511 -15.823 3.030 1.00 0.00 C ATOM 1330 O PRO A 92 4.090 -16.557 2.255 1.00 0.00 O ATOM 1331 CB PRO A 92 4.622 -15.968 5.288 1.00 0.00 C ATOM 1332 CG PRO A 92 3.482 -15.868 6.266 1.00 0.00 C ATOM 1333 CD PRO A 92 2.625 -14.692 5.866 1.00 0.00 C ATOM 0 HA PRO A 92 5.134 -14.620 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 92 4.760 -16.996 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.559 -15.654 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.895 -16.786 6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.860 -15.736 7.280 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.622 -15.008 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.513 -13.982 6.685 1.00 0.00 H new ATOM 1341 N GLU A 93 2.223 -15.628 2.956 1.00 0.00 N ATOM 1342 CA GLU A 93 1.419 -16.306 1.909 1.00 0.00 C ATOM 1343 C GLU A 93 1.350 -15.375 0.708 1.00 0.00 C ATOM 1344 O GLU A 93 1.251 -15.780 -0.433 1.00 0.00 O ATOM 1345 CB GLU A 93 0.061 -16.506 2.583 1.00 0.00 C ATOM 1346 CG GLU A 93 -0.902 -15.393 2.202 1.00 0.00 C ATOM 1347 CD GLU A 93 -2.321 -15.762 2.640 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -2.547 -16.925 2.928 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -3.156 -14.874 2.677 1.00 0.00 O ATOM 0 H GLU A 93 1.692 -15.023 3.582 1.00 0.00 H new ATOM 0 HA GLU A 93 1.815 -17.255 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.356 -17.470 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.187 -16.529 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.597 -14.459 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.875 -15.229 1.125 1.00 0.00 H new ATOM 1356 N LEU A 94 1.390 -14.116 0.998 1.00 0.00 N ATOM 1357 CA LEU A 94 1.317 -13.078 -0.057 1.00 0.00 C ATOM 1358 C LEU A 94 2.694 -12.709 -0.562 1.00 0.00 C ATOM 1359 O LEU A 94 2.934 -11.606 -1.010 1.00 0.00 O ATOM 1360 CB LEU A 94 0.652 -11.909 0.647 1.00 0.00 C ATOM 1361 CG LEU A 94 -0.787 -12.304 0.819 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -1.483 -11.393 1.814 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -1.413 -12.181 -0.541 1.00 0.00 C ATOM 0 H LEU A 94 1.472 -13.750 1.947 1.00 0.00 H new ATOM 0 HA LEU A 94 0.770 -13.407 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.122 -11.713 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.740 -10.996 0.058 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.876 -13.318 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.524 -11.699 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.983 -11.460 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.443 -10.364 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.466 -12.456 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.325 -11.152 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.902 -12.845 -1.238 1.00 0.00 H new ATOM 1375 N ASP A 95 3.602 -13.626 -0.516 1.00 0.00 N ATOM 1376 CA ASP A 95 4.948 -13.318 -1.031 1.00 0.00 C ATOM 1377 C ASP A 95 4.849 -13.012 -2.531 1.00 0.00 C ATOM 1378 O ASP A 95 4.701 -13.905 -3.341 1.00 0.00 O ATOM 1379 CB ASP A 95 5.777 -14.576 -0.777 1.00 0.00 C ATOM 1380 CG ASP A 95 5.191 -15.740 -1.577 1.00 0.00 C ATOM 1381 OD1 ASP A 95 3.986 -15.923 -1.522 1.00 0.00 O ATOM 1382 OD2 ASP A 95 5.956 -16.427 -2.233 1.00 0.00 O ATOM 0 H ASP A 95 3.473 -14.568 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 95 5.401 -12.451 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.814 -14.406 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.779 -14.815 0.286 1.00 0.00 H new ATOM 1387 N GLY A 96 4.925 -11.767 -2.916 1.00 0.00 N ATOM 1388 CA GLY A 96 4.828 -11.438 -4.370 1.00 0.00 C ATOM 1389 C GLY A 96 3.700 -10.430 -4.606 1.00 0.00 C ATOM 1390 O GLY A 96 3.163 -10.323 -5.692 1.00 0.00 O ATOM 0 H GLY A 96 5.049 -10.968 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.774 -11.026 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.642 -12.345 -4.945 1.00 0.00 H new ATOM 1394 N ILE A 97 3.338 -9.693 -3.598 1.00 0.00 N ATOM 1395 CA ILE A 97 2.258 -8.694 -3.726 1.00 0.00 C ATOM 1396 C ILE A 97 2.601 -7.601 -4.714 1.00 0.00 C ATOM 1397 O ILE A 97 3.739 -7.386 -5.079 1.00 0.00 O ATOM 1398 CB ILE A 97 2.156 -8.145 -2.325 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.222 -6.971 -2.281 1.00 0.00 C ATOM 1400 CG2 ILE A 97 3.521 -7.724 -1.855 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.623 -6.940 -0.902 1.00 0.00 C ATOM 0 H ILE A 97 3.759 -9.746 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 97 1.329 -9.122 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 97 1.763 -8.923 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.756 -6.044 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.444 -7.068 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.451 -7.327 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.190 -8.585 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.914 -6.955 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.066 -6.099 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.083 -7.869 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.417 -6.829 -0.163 1.00 0.00 H new ATOM 1413 N VAL A 98 1.591 -6.925 -5.155 1.00 0.00 N ATOM 1414 CA VAL A 98 1.769 -5.838 -6.137 1.00 0.00 C ATOM 1415 C VAL A 98 0.939 -4.642 -5.677 1.00 0.00 C ATOM 1416 O VAL A 98 -0.268 -4.716 -5.591 1.00 0.00 O ATOM 1417 CB VAL A 98 1.219 -6.415 -7.448 1.00 0.00 C ATOM 1418 CG1 VAL A 98 1.775 -5.613 -8.624 1.00 0.00 C ATOM 1419 CG2 VAL A 98 1.634 -7.899 -7.585 1.00 0.00 C ATOM 0 H VAL A 98 0.625 -7.085 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 98 2.801 -5.506 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 98 0.131 -6.351 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.387 -6.020 -9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.472 -4.570 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.863 -5.676 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.240 -8.302 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.721 -7.974 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.233 -8.468 -6.746 1.00 0.00 H new ATOM 1429 N VAL A 99 1.558 -3.546 -5.365 1.00 0.00 N ATOM 1430 CA VAL A 99 0.763 -2.384 -4.901 1.00 0.00 C ATOM 1431 C VAL A 99 0.562 -1.415 -6.054 1.00 0.00 C ATOM 1432 O VAL A 99 1.307 -1.410 -7.007 1.00 0.00 O ATOM 1433 CB VAL A 99 1.547 -1.733 -3.757 1.00 0.00 C ATOM 1434 CG1 VAL A 99 0.533 -1.328 -2.700 1.00 0.00 C ATOM 1435 CG2 VAL A 99 2.541 -2.716 -3.127 1.00 0.00 C ATOM 0 H VAL A 99 2.567 -3.404 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.224 -2.685 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 99 2.111 -0.883 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.048 -0.858 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.179 -0.623 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.001 -2.212 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.080 -2.221 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.001 -3.575 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.250 -3.052 -3.884 1.00 0.00 H new ATOM 1445 N ASP A 100 -0.456 -0.614 -5.996 1.00 0.00 N ATOM 1446 CA ASP A 100 -0.703 0.327 -7.118 1.00 0.00 C ATOM 1447 C ASP A 100 -0.739 1.759 -6.617 1.00 0.00 C ATOM 1448 O ASP A 100 -1.633 2.165 -5.902 1.00 0.00 O ATOM 1449 CB ASP A 100 -2.038 -0.095 -7.702 1.00 0.00 C ATOM 1450 CG ASP A 100 -1.816 -0.738 -9.071 1.00 0.00 C ATOM 1451 OD1 ASP A 100 -1.705 -0.003 -10.039 1.00 0.00 O ATOM 1452 OD2 ASP A 100 -1.757 -1.956 -9.129 1.00 0.00 O ATOM 0 H ASP A 100 -1.125 -0.568 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 100 0.087 0.293 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.533 -0.800 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.695 0.770 -7.797 1.00 0.00 H new ATOM 1457 N VAL A 101 0.233 2.519 -6.987 1.00 0.00 N ATOM 1458 CA VAL A 101 0.284 3.931 -6.541 1.00 0.00 C ATOM 1459 C VAL A 101 -0.413 4.828 -7.576 1.00 0.00 C ATOM 1460 O VAL A 101 -0.134 4.753 -8.756 1.00 0.00 O ATOM 1461 CB VAL A 101 1.771 4.252 -6.445 1.00 0.00 C ATOM 1462 CG1 VAL A 101 1.944 5.687 -5.971 1.00 0.00 C ATOM 1463 CG2 VAL A 101 2.436 3.303 -5.445 1.00 0.00 C ATOM 0 H VAL A 101 1.005 2.225 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.224 4.096 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 101 2.235 4.130 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.006 5.921 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.469 6.364 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.481 5.805 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.499 3.533 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.975 3.425 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.308 2.274 -5.780 1.00 0.00 H new ATOM 1473 N PRO A 102 -1.328 5.621 -7.090 1.00 0.00 N ATOM 1474 CA PRO A 102 -2.125 6.521 -7.965 1.00 0.00 C ATOM 1475 C PRO A 102 -1.361 7.783 -8.366 1.00 0.00 C ATOM 1476 O PRO A 102 -0.239 8.012 -7.960 1.00 0.00 O ATOM 1477 CB PRO A 102 -3.286 6.920 -7.068 1.00 0.00 C ATOM 1478 CG PRO A 102 -2.767 6.808 -5.674 1.00 0.00 C ATOM 1479 CD PRO A 102 -1.712 5.741 -5.684 1.00 0.00 C ATOM 0 HA PRO A 102 -2.402 6.030 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.618 7.936 -7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.144 6.265 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.351 7.758 -5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.570 6.550 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.861 6.018 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.097 4.798 -5.296 1.00 0.00 H new ATOM 1487 N ASP A 103 -2.005 8.621 -9.135 1.00 0.00 N ATOM 1488 CA ASP A 103 -1.385 9.907 -9.552 1.00 0.00 C ATOM 1489 C ASP A 103 -1.760 10.981 -8.529 1.00 0.00 C ATOM 1490 O ASP A 103 -1.162 12.036 -8.462 1.00 0.00 O ATOM 1491 CB ASP A 103 -1.995 10.224 -10.919 1.00 0.00 C ATOM 1492 CG ASP A 103 -1.015 11.069 -11.734 1.00 0.00 C ATOM 1493 OD1 ASP A 103 0.124 11.192 -11.312 1.00 0.00 O ATOM 1494 OD2 ASP A 103 -1.418 11.579 -12.765 1.00 0.00 O ATOM 0 H ASP A 103 -2.946 8.464 -9.495 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.297 9.861 -9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.223 9.300 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.936 10.760 -10.793 1.00 0.00 H new ATOM 1499 N ARG A 104 -2.738 10.690 -7.713 1.00 0.00 N ATOM 1500 CA ARG A 104 -3.169 11.638 -6.658 1.00 0.00 C ATOM 1501 C ARG A 104 -2.767 11.042 -5.330 1.00 0.00 C ATOM 1502 O ARG A 104 -3.556 10.397 -4.685 1.00 0.00 O ATOM 1503 CB ARG A 104 -4.693 11.672 -6.740 1.00 0.00 C ATOM 1504 CG ARG A 104 -5.166 13.009 -7.303 1.00 0.00 C ATOM 1505 CD ARG A 104 -5.319 12.925 -8.825 1.00 0.00 C ATOM 1506 NE ARG A 104 -6.035 11.650 -9.110 1.00 0.00 N ATOM 1507 CZ ARG A 104 -7.241 11.677 -9.611 1.00 0.00 C ATOM 1508 NH1 ARG A 104 -8.278 11.730 -8.823 1.00 0.00 N ATOM 1509 NH2 ARG A 104 -7.408 11.649 -10.905 1.00 0.00 N ATOM 0 H ARG A 104 -3.263 9.816 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 104 -2.736 12.632 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.048 10.858 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.120 11.516 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -6.118 13.285 -6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -4.452 13.792 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.880 13.778 -9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.345 12.940 -9.314 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.584 10.757 -8.914 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.149 11.751 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.218 11.751 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.598 11.606 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.349 11.670 -11.298 1.00 0.00 H new ATOM 1523 N GLN A 105 -1.561 11.201 -4.913 1.00 0.00 N ATOM 1524 CA GLN A 105 -1.195 10.561 -3.635 1.00 0.00 C ATOM 1525 C GLN A 105 -1.258 11.578 -2.488 1.00 0.00 C ATOM 1526 O GLN A 105 -0.330 11.715 -1.717 1.00 0.00 O ATOM 1527 CB GLN A 105 0.236 10.066 -3.836 1.00 0.00 C ATOM 1528 CG GLN A 105 0.421 8.733 -3.111 1.00 0.00 C ATOM 1529 CD GLN A 105 1.819 8.188 -3.403 1.00 0.00 C ATOM 1530 OE1 GLN A 105 2.231 8.119 -4.638 1.00 0.00 O flip ATOM 1531 NE2 GLN A 105 2.544 7.823 -2.498 1.00 0.00 N flip ATOM 0 H GLN A 105 -0.827 11.730 -5.383 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.875 9.750 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.445 9.946 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.944 10.801 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.288 8.868 -2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.335 8.020 -3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.221 7.877 -1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.476 7.462 -2.705 1.00 0.00 H new ATOM 1540 N TRP A 106 -2.347 12.293 -2.369 1.00 0.00 N ATOM 1541 CA TRP A 106 -2.467 13.300 -1.270 1.00 0.00 C ATOM 1542 C TRP A 106 -2.657 12.586 0.073 1.00 0.00 C ATOM 1543 O TRP A 106 -2.498 13.233 1.095 1.00 0.00 O ATOM 1544 CB TRP A 106 -3.690 14.159 -1.650 1.00 0.00 C ATOM 1545 CG TRP A 106 -4.897 13.758 -0.864 1.00 0.00 C ATOM 1546 CD1 TRP A 106 -5.934 13.024 -1.323 1.00 0.00 C ATOM 1547 CD2 TRP A 106 -5.195 14.079 0.510 1.00 0.00 C ATOM 1548 NE1 TRP A 106 -6.858 12.869 -0.298 1.00 0.00 N ATOM 1549 CE2 TRP A 106 -6.443 13.509 0.855 1.00 0.00 C ATOM 1550 CE3 TRP A 106 -4.497 14.807 1.477 1.00 0.00 C ATOM 1551 CZ2 TRP A 106 -6.980 13.666 2.134 1.00 0.00 C ATOM 1552 CZ3 TRP A 106 -5.026 14.970 2.760 1.00 0.00 C ATOM 1553 CH2 TRP A 106 -6.269 14.402 3.093 1.00 0.00 C ATOM 1554 OXT TRP A 106 -2.956 11.405 0.051 1.00 0.00 O ATOM 0 H TRP A 106 -3.158 12.224 -2.984 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.577 13.919 -1.158 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -3.469 15.211 -1.470 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.895 14.054 -2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -6.029 12.624 -2.322 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.731 12.349 -0.385 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.542 15.247 1.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -7.934 13.225 2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.478 15.535 3.500 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.675 14.532 4.085 1.00 0.00 H new