USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 634 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 18 THR OG1 : rot 180:sc= 1.19 USER MOD Set 1.2: A 21 THR OG1 : rot 100:sc= 1.21 USER MOD Single : A 0 GLY N :NH3+ 138:sc= 0.593 (180deg=-0.99!) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.101 (180deg=-0.485) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 32:sc= 1.07 USER MOD Single : A 17 THR OG1 : rot -63:sc= 0.63 USER MOD Single : A 20 GLN : amide:sc= -0.997 K(o=-1,f=-0.13) USER MOD Single : A 27 SER OG : rot -33:sc= 0.0919 USER MOD Single : A 28 GLN : amide:sc= -0.879 K(o=-0.88,f=-0.079) USER MOD Single : A 35 SER OG : rot 37:sc= 0.138 USER MOD Single : A 36 LYS NZ :NH3+ 138:sc= 0.825 (180deg=-2!) USER MOD Single : A 39 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.014) USER MOD Single : A 43 THR OG1 : rot -70:sc= 0.374 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 104:sc= 0.0819 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 1.04 (180deg=0.364) USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= 1.03 (180deg=-1.68!) USER MOD Single : A 60 MET CE :methyl 162:sc= -0.656 (180deg=-1.53!) USER MOD Single : A 67 MET CE :methyl 160:sc= -0.767 (180deg=-1.05) USER MOD Single : A 68 ASN : amide:sc= 0.439 K(o=0.44,f=-4.3!) USER MOD Single : A 70 GLN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.099 X(o=-0.099,f=-0.56) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.7!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0.356 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 17.570 5.587 2.423 1.00 0.00 N ATOM 2 CA GLY A 0 18.995 5.267 2.312 1.00 0.00 C ATOM 3 C GLY A 0 19.807 6.454 2.671 1.00 0.00 C ATOM 4 O GLY A 0 19.552 7.069 3.690 1.00 0.00 O ATOM 0 H1 GLY A 0 17.058 5.178 1.615 1.00 0.00 H new ATOM 0 H2 GLY A 0 17.193 5.191 3.308 1.00 0.00 H new ATOM 0 H3 GLY A 0 17.445 6.619 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 0 19.242 4.434 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 0 19.228 4.950 1.295 1.00 0.00 H new ATOM 10 N MET A 1 20.783 6.793 1.834 1.00 0.00 N ATOM 11 CA MET A 1 21.562 8.017 2.040 1.00 0.00 C ATOM 12 C MET A 1 20.709 9.205 1.649 1.00 0.00 C ATOM 13 O MET A 1 20.901 10.306 2.118 1.00 0.00 O ATOM 14 CB MET A 1 22.860 8.002 1.224 1.00 0.00 C ATOM 15 CG MET A 1 23.840 6.912 1.635 1.00 0.00 C ATOM 16 SD MET A 1 25.338 6.891 0.628 1.00 0.00 S ATOM 17 CE MET A 1 26.041 8.500 1.003 1.00 0.00 C ATOM 0 H MET A 1 21.054 6.248 1.016 1.00 0.00 H new ATOM 0 HA MET A 1 21.843 8.085 3.091 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.613 7.875 0.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.349 8.971 1.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.114 7.053 2.680 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.347 5.942 1.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.085 8.522 0.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.487 9.272 0.470 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.978 8.683 2.076 1.00 0.00 H new ATOM 27 N ALA A 2 19.763 8.943 0.769 1.00 0.00 N ATOM 28 CA ALA A 2 18.790 9.918 0.374 1.00 0.00 C ATOM 29 C ALA A 2 17.572 9.744 1.259 1.00 0.00 C ATOM 30 O ALA A 2 17.300 8.615 1.740 1.00 0.00 O ATOM 31 CB ALA A 2 18.421 9.734 -1.090 1.00 0.00 C ATOM 0 H ALA A 2 19.655 8.039 0.310 1.00 0.00 H new ATOM 0 HA ALA A 2 19.193 10.924 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.681 10.482 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 2 19.312 9.851 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.005 8.737 -1.238 1.00 0.00 H new ATOM 37 N GLU A 3 16.838 10.811 1.439 1.00 0.00 N ATOM 38 CA GLU A 3 15.685 10.854 2.328 1.00 0.00 C ATOM 39 C GLU A 3 14.386 10.664 1.560 1.00 0.00 C ATOM 40 O GLU A 3 13.291 10.810 2.106 1.00 0.00 O ATOM 41 CB GLU A 3 15.688 12.169 3.151 1.00 0.00 C ATOM 42 CG GLU A 3 16.206 13.420 2.404 1.00 0.00 C ATOM 43 CD GLU A 3 15.514 13.682 1.085 1.00 0.00 C ATOM 44 OE1 GLU A 3 14.488 14.381 1.067 1.00 0.00 O ATOM 45 OE2 GLU A 3 15.978 13.157 0.057 1.00 0.00 O1- ATOM 0 H GLU A 3 17.021 11.696 0.967 1.00 0.00 H new ATOM 0 HA GLU A 3 15.758 10.023 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.672 12.366 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.300 12.019 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.081 14.291 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.275 13.306 2.225 1.00 0.00 H new ATOM 52 N VAL A 4 14.545 10.359 0.301 1.00 0.00 N ATOM 53 CA VAL A 4 13.453 10.101 -0.607 1.00 0.00 C ATOM 54 C VAL A 4 12.672 8.885 -0.151 1.00 0.00 C ATOM 55 O VAL A 4 13.223 7.788 -0.036 1.00 0.00 O ATOM 56 CB VAL A 4 13.983 9.864 -2.042 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.854 9.552 -3.018 1.00 0.00 C ATOM 58 CG2 VAL A 4 14.781 11.062 -2.522 1.00 0.00 C ATOM 0 H VAL A 4 15.463 10.280 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 4 12.798 10.972 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 4 14.639 8.994 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.268 9.392 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.331 8.652 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.155 10.388 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.145 10.876 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.144 11.947 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.628 11.225 -1.856 1.00 0.00 H new ATOM 68 N GLU A 5 11.422 9.096 0.121 1.00 0.00 N ATOM 69 CA GLU A 5 10.540 8.057 0.540 1.00 0.00 C ATOM 70 C GLU A 5 9.768 7.493 -0.627 1.00 0.00 C ATOM 71 O GLU A 5 9.379 8.225 -1.542 1.00 0.00 O ATOM 72 CB GLU A 5 9.612 8.490 1.689 1.00 0.00 C ATOM 73 CG GLU A 5 9.406 9.991 1.872 1.00 0.00 C ATOM 74 CD GLU A 5 8.841 10.708 0.668 1.00 0.00 C ATOM 75 OE1 GLU A 5 7.615 10.667 0.450 1.00 0.00 O ATOM 76 OE2 GLU A 5 9.631 11.346 -0.060 1.00 0.00 O1- ATOM 0 H GLU A 5 10.980 10.013 0.056 1.00 0.00 H new ATOM 0 HA GLU A 5 11.163 7.258 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.637 8.029 1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.010 8.085 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.738 10.151 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.362 10.445 2.131 1.00 0.00 H new ATOM 83 N TYR A 6 9.548 6.210 -0.608 1.00 0.00 N ATOM 84 CA TYR A 6 8.893 5.562 -1.694 1.00 0.00 C ATOM 85 C TYR A 6 7.445 5.319 -1.439 1.00 0.00 C ATOM 86 O TYR A 6 7.053 4.640 -0.483 1.00 0.00 O ATOM 87 CB TYR A 6 9.620 4.313 -2.140 1.00 0.00 C ATOM 88 CG TYR A 6 10.832 4.639 -2.961 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.704 4.864 -4.321 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.091 4.744 -2.390 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.798 5.177 -5.097 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.192 5.059 -3.158 1.00 0.00 C ATOM 93 CZ TYR A 6 13.038 5.272 -4.512 1.00 0.00 C ATOM 94 OH TYR A 6 14.129 5.580 -5.285 1.00 0.00 O ATOM 0 H TYR A 6 9.818 5.592 0.157 1.00 0.00 H new ATOM 0 HA TYR A 6 8.934 6.261 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.918 3.734 -1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.944 3.687 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.730 4.793 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.211 4.577 -1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.682 5.347 -6.157 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.168 5.138 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 6 14.931 5.610 -4.722 1.00 0.00 H new ATOM 104 N ARG A 7 6.660 5.880 -2.301 1.00 0.00 N ATOM 105 CA ARG A 7 5.242 5.820 -2.224 1.00 0.00 C ATOM 106 C ARG A 7 4.774 4.639 -3.094 1.00 0.00 C ATOM 107 O ARG A 7 5.129 4.544 -4.274 1.00 0.00 O ATOM 108 CB ARG A 7 4.701 7.143 -2.767 1.00 0.00 C ATOM 109 CG ARG A 7 3.280 7.511 -2.336 1.00 0.00 C ATOM 110 CD ARG A 7 3.190 7.812 -0.827 1.00 0.00 C ATOM 111 NE ARG A 7 4.137 8.872 -0.367 1.00 0.00 N ATOM 112 CZ ARG A 7 4.207 9.335 0.918 1.00 0.00 C ATOM 113 NH1 ARG A 7 3.247 9.045 1.790 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 5.226 10.087 1.315 1.00 0.00 N ATOM 0 H ARG A 7 7.003 6.409 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 7 4.886 5.673 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.373 7.943 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.732 7.106 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.945 8.382 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.604 6.693 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.172 8.118 -0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.387 6.896 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 7 4.772 9.276 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.452 8.474 1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.305 9.393 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.969 10.326 0.659 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.266 10.426 2.276 1.00 0.00 H new ATOM 128 N CYS A 8 4.043 3.740 -2.510 1.00 0.00 N ATOM 129 CA CYS A 8 3.553 2.561 -3.190 1.00 0.00 C ATOM 130 C CYS A 8 2.028 2.639 -3.310 1.00 0.00 C ATOM 131 O CYS A 8 1.360 3.204 -2.431 1.00 0.00 O ATOM 132 CB CYS A 8 3.983 1.318 -2.392 1.00 0.00 C ATOM 133 SG CYS A 8 3.526 -0.278 -3.097 1.00 0.00 S ATOM 0 H CYS A 8 3.761 3.798 -1.532 1.00 0.00 H new ATOM 0 HA CYS A 8 3.970 2.497 -4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.066 1.344 -2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.553 1.387 -1.393 1.00 0.00 H new ATOM 0 HG CYS A 8 3.511 -0.191 -4.394 1.00 0.00 H new ATOM 139 N PHE A 9 1.499 2.101 -4.385 1.00 0.00 N ATOM 140 CA PHE A 9 0.078 2.104 -4.659 1.00 0.00 C ATOM 141 C PHE A 9 -0.472 0.695 -4.510 1.00 0.00 C ATOM 142 O PHE A 9 0.101 -0.265 -5.051 1.00 0.00 O ATOM 143 CB PHE A 9 -0.172 2.638 -6.089 1.00 0.00 C ATOM 144 CG PHE A 9 -1.593 2.508 -6.593 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.554 3.444 -6.266 1.00 0.00 C ATOM 146 CD2 PHE A 9 -1.955 1.442 -7.406 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.847 3.320 -6.735 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.244 1.313 -7.877 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.192 2.254 -7.541 1.00 0.00 C ATOM 0 H PHE A 9 2.053 1.641 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.433 2.755 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.111 3.690 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.489 2.110 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.292 4.282 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.215 0.702 -7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.589 4.058 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.510 0.477 -8.507 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.203 2.158 -7.908 1.00 0.00 H new ATOM 159 N VAL A 10 -1.545 0.560 -3.760 1.00 0.00 N ATOM 160 CA VAL A 10 -2.187 -0.718 -3.586 1.00 0.00 C ATOM 161 C VAL A 10 -3.678 -0.564 -3.849 1.00 0.00 C ATOM 162 O VAL A 10 -4.382 0.117 -3.105 1.00 0.00 O ATOM 163 CB VAL A 10 -1.986 -1.281 -2.146 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.607 -2.664 -2.014 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.515 -1.326 -1.768 1.00 0.00 C ATOM 0 H VAL A 10 -1.991 1.328 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.735 -1.418 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.491 -0.604 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.454 -3.036 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.675 -2.604 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.137 -3.343 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.411 -1.723 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.021 -1.967 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.098 -0.319 -1.807 1.00 0.00 H new ATOM 175 N GLY A 11 -4.142 -1.186 -4.891 1.00 0.00 N ATOM 176 CA GLY A 11 -5.538 -1.149 -5.228 1.00 0.00 C ATOM 177 C GLY A 11 -6.126 -2.530 -5.265 1.00 0.00 C ATOM 178 O GLY A 11 -5.397 -3.503 -5.433 1.00 0.00 O ATOM 0 H GLY A 11 -3.567 -1.733 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.075 -0.542 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.668 -0.670 -6.198 1.00 0.00 H new ATOM 182 N GLY A 12 -7.423 -2.627 -5.096 1.00 0.00 N ATOM 183 CA GLY A 12 -8.076 -3.921 -5.117 1.00 0.00 C ATOM 184 C GLY A 12 -8.227 -4.461 -3.723 1.00 0.00 C ATOM 185 O GLY A 12 -8.174 -5.659 -3.498 1.00 0.00 O ATOM 0 H GLY A 12 -8.046 -1.834 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.056 -3.832 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.495 -4.618 -5.721 1.00 0.00 H new ATOM 189 N LEU A 13 -8.419 -3.558 -2.791 1.00 0.00 N ATOM 190 CA LEU A 13 -8.540 -3.909 -1.396 1.00 0.00 C ATOM 191 C LEU A 13 -9.924 -4.450 -1.111 1.00 0.00 C ATOM 192 O LEU A 13 -10.861 -4.240 -1.895 1.00 0.00 O ATOM 193 CB LEU A 13 -8.258 -2.691 -0.523 1.00 0.00 C ATOM 194 CG LEU A 13 -6.885 -2.039 -0.708 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.758 -0.832 0.174 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.771 -3.022 -0.410 1.00 0.00 C ATOM 0 H LEU A 13 -8.496 -2.558 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.809 -4.683 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.024 -1.941 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.361 -2.985 0.522 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.797 -1.728 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.777 -0.379 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.532 -0.110 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.873 -1.129 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.807 -2.533 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.857 -3.368 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.847 -3.874 -1.086 1.00 0.00 H new ATOM 208 N ALA A 14 -10.065 -5.121 -0.002 1.00 0.00 N ATOM 209 CA ALA A 14 -11.312 -5.719 0.344 1.00 0.00 C ATOM 210 C ALA A 14 -12.136 -4.797 1.233 1.00 0.00 C ATOM 211 O ALA A 14 -11.720 -3.686 1.560 1.00 0.00 O ATOM 212 CB ALA A 14 -11.077 -7.045 1.016 1.00 0.00 C ATOM 0 H ALA A 14 -9.320 -5.265 0.680 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.881 -5.886 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.035 -7.495 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.538 -7.706 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.488 -6.895 1.921 1.00 0.00 H new ATOM 218 N TRP A 15 -13.283 -5.290 1.653 1.00 0.00 N ATOM 219 CA TRP A 15 -14.241 -4.519 2.442 1.00 0.00 C ATOM 220 C TRP A 15 -13.800 -4.395 3.898 1.00 0.00 C ATOM 221 O TRP A 15 -14.326 -3.581 4.641 1.00 0.00 O ATOM 222 CB TRP A 15 -15.621 -5.198 2.393 1.00 0.00 C ATOM 223 CG TRP A 15 -16.147 -5.434 1.004 1.00 0.00 C ATOM 224 CD1 TRP A 15 -15.954 -6.552 0.237 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.958 -4.547 0.220 1.00 0.00 C ATOM 226 NE1 TRP A 15 -16.580 -6.405 -0.974 1.00 0.00 N ATOM 227 CE2 TRP A 15 -17.205 -5.188 -1.010 1.00 0.00 C ATOM 228 CE3 TRP A 15 -17.495 -3.274 0.437 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -17.965 -4.600 -2.017 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -18.252 -2.694 -0.565 1.00 0.00 C ATOM 231 CH2 TRP A 15 -18.480 -3.357 -1.776 1.00 0.00 C ATOM 0 H TRP A 15 -13.586 -6.244 1.458 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.295 -3.519 2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.561 -6.154 2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.335 -4.582 2.939 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -15.391 -7.422 0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -16.580 -7.093 -1.727 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.322 -2.754 1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -18.141 -5.107 -2.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.674 -1.712 -0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.076 -2.876 -2.537 1.00 0.00 H new ATOM 242 N ALA A 16 -12.844 -5.207 4.298 1.00 0.00 N ATOM 243 CA ALA A 16 -12.399 -5.222 5.681 1.00 0.00 C ATOM 244 C ALA A 16 -11.007 -4.633 5.832 1.00 0.00 C ATOM 245 O ALA A 16 -10.519 -4.456 6.951 1.00 0.00 O ATOM 246 CB ALA A 16 -12.436 -6.643 6.227 1.00 0.00 C ATOM 0 H ALA A 16 -12.359 -5.865 3.688 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.082 -4.598 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.101 -6.643 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.455 -7.026 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.779 -7.278 5.633 1.00 0.00 H new ATOM 252 N THR A 17 -10.389 -4.299 4.722 1.00 0.00 N ATOM 253 CA THR A 17 -9.043 -3.808 4.746 1.00 0.00 C ATOM 254 C THR A 17 -8.990 -2.371 5.268 1.00 0.00 C ATOM 255 O THR A 17 -9.568 -1.449 4.675 1.00 0.00 O ATOM 256 CB THR A 17 -8.431 -3.862 3.335 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.610 -5.179 2.795 1.00 0.00 O ATOM 258 CG2 THR A 17 -6.941 -3.542 3.389 1.00 0.00 C ATOM 0 H THR A 17 -10.804 -4.361 3.792 1.00 0.00 H new ATOM 0 HA THR A 17 -8.468 -4.445 5.418 1.00 0.00 H new ATOM 0 HB THR A 17 -8.929 -3.125 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.121 -5.827 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.523 -3.584 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.798 -2.542 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.435 -4.270 4.023 1.00 0.00 H new ATOM 266 N THR A 18 -8.308 -2.186 6.372 1.00 0.00 N ATOM 267 CA THR A 18 -8.117 -0.873 6.913 1.00 0.00 C ATOM 268 C THR A 18 -6.674 -0.477 6.668 1.00 0.00 C ATOM 269 O THR A 18 -5.868 -1.314 6.240 1.00 0.00 O ATOM 270 CB THR A 18 -8.404 -0.817 8.439 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.442 -1.605 9.161 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.811 -1.308 8.756 1.00 0.00 C ATOM 0 H THR A 18 -7.876 -2.936 6.912 1.00 0.00 H new ATOM 0 HA THR A 18 -8.814 -0.192 6.426 1.00 0.00 H new ATOM 0 HB THR A 18 -8.324 0.224 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.635 -1.559 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.981 -1.256 9.831 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.540 -0.680 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.921 -2.339 8.420 1.00 0.00 H new ATOM 280 N ASP A 19 -6.329 0.764 6.939 1.00 0.00 N ATOM 281 CA ASP A 19 -4.951 1.216 6.770 1.00 0.00 C ATOM 282 C ASP A 19 -4.030 0.636 7.792 1.00 0.00 C ATOM 283 O ASP A 19 -2.823 0.561 7.577 1.00 0.00 O ATOM 284 CB ASP A 19 -4.814 2.724 6.670 1.00 0.00 C ATOM 285 CG ASP A 19 -5.563 3.520 7.699 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.044 3.803 8.771 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -6.682 3.976 7.386 1.00 0.00 O ATOM 0 H ASP A 19 -6.974 1.479 7.275 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.639 0.826 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.757 2.979 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.152 3.035 5.681 1.00 0.00 H new ATOM 292 N GLN A 20 -4.602 0.185 8.878 1.00 0.00 N ATOM 293 CA GLN A 20 -3.838 -0.461 9.909 1.00 0.00 C ATOM 294 C GLN A 20 -3.413 -1.824 9.387 1.00 0.00 C ATOM 295 O GLN A 20 -2.229 -2.139 9.348 1.00 0.00 O ATOM 296 CB GLN A 20 -4.670 -0.608 11.186 1.00 0.00 C ATOM 297 CG GLN A 20 -3.883 -1.148 12.380 1.00 0.00 C ATOM 298 CD GLN A 20 -2.722 -0.237 12.801 1.00 0.00 C ATOM 299 OE1 GLN A 20 -1.713 -0.693 13.308 1.00 0.00 O ATOM 300 NE2 GLN A 20 -2.866 1.058 12.603 1.00 0.00 N ATOM 0 H GLN A 20 -5.601 0.255 9.070 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.962 0.137 10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.089 0.363 11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.510 -1.273 10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.560 -1.277 13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.491 -2.134 12.132 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.720 1.417 12.177 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.123 1.701 12.876 1.00 0.00 H new ATOM 309 N THR A 21 -4.397 -2.583 8.911 1.00 0.00 N ATOM 310 CA THR A 21 -4.200 -3.877 8.349 1.00 0.00 C ATOM 311 C THR A 21 -3.277 -3.802 7.111 1.00 0.00 C ATOM 312 O THR A 21 -2.427 -4.668 6.886 1.00 0.00 O ATOM 313 CB THR A 21 -5.568 -4.413 7.963 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.479 -4.081 9.032 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.514 -5.892 7.850 1.00 0.00 C ATOM 0 H THR A 21 -5.374 -2.288 8.915 1.00 0.00 H new ATOM 0 HA THR A 21 -3.717 -4.537 9.070 1.00 0.00 H new ATOM 0 HB THR A 21 -5.884 -3.985 7.012 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.999 -3.288 8.784 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.497 -6.272 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.788 -6.172 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.216 -6.319 8.808 1.00 0.00 H new ATOM 323 N LEU A 22 -3.439 -2.738 6.336 1.00 0.00 N ATOM 324 CA LEU A 22 -2.599 -2.481 5.182 1.00 0.00 C ATOM 325 C LEU A 22 -1.143 -2.327 5.645 1.00 0.00 C ATOM 326 O LEU A 22 -0.230 -2.967 5.109 1.00 0.00 O ATOM 327 CB LEU A 22 -3.071 -1.192 4.488 1.00 0.00 C ATOM 328 CG LEU A 22 -2.384 -0.820 3.174 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.701 -1.841 2.092 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.797 0.575 2.733 1.00 0.00 C ATOM 0 H LEU A 22 -4.157 -2.031 6.493 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.667 -3.310 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.140 -1.282 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.940 -0.364 5.185 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.306 -0.824 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.202 -1.556 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.351 -2.824 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.778 -1.875 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.298 0.823 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.877 0.606 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.512 1.298 3.498 1.00 0.00 H new ATOM 342 N GLY A 23 -0.961 -1.515 6.673 1.00 0.00 N ATOM 343 CA GLY A 23 0.344 -1.259 7.218 1.00 0.00 C ATOM 344 C GLY A 23 0.993 -2.493 7.805 1.00 0.00 C ATOM 345 O GLY A 23 2.109 -2.825 7.432 1.00 0.00 O ATOM 0 H GLY A 23 -1.717 -1.020 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.986 -0.856 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.265 -0.494 7.991 1.00 0.00 H new ATOM 349 N GLU A 24 0.280 -3.197 8.677 1.00 0.00 N ATOM 350 CA GLU A 24 0.822 -4.370 9.372 1.00 0.00 C ATOM 351 C GLU A 24 1.252 -5.468 8.380 1.00 0.00 C ATOM 352 O GLU A 24 2.325 -6.071 8.527 1.00 0.00 O ATOM 353 CB GLU A 24 -0.184 -4.907 10.417 1.00 0.00 C ATOM 354 CG GLU A 24 -1.479 -5.426 9.831 1.00 0.00 C ATOM 355 CD GLU A 24 -2.499 -5.827 10.874 1.00 0.00 C ATOM 356 OE1 GLU A 24 -2.367 -6.927 11.435 1.00 0.00 O ATOM 357 OE2 GLU A 24 -3.458 -5.046 11.105 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.685 -2.977 8.924 1.00 0.00 H new ATOM 0 HA GLU A 24 1.718 -4.055 9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.291 -5.709 10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.413 -4.110 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.911 -4.658 9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.262 -6.286 9.198 1.00 0.00 H new ATOM 364 N ALA A 25 0.446 -5.674 7.345 1.00 0.00 N ATOM 365 CA ALA A 25 0.720 -6.673 6.334 1.00 0.00 C ATOM 366 C ALA A 25 1.975 -6.325 5.538 1.00 0.00 C ATOM 367 O ALA A 25 2.852 -7.166 5.337 1.00 0.00 O ATOM 368 CB ALA A 25 -0.475 -6.824 5.408 1.00 0.00 C ATOM 0 H ALA A 25 -0.415 -5.150 7.188 1.00 0.00 H new ATOM 0 HA ALA A 25 0.898 -7.624 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.256 -7.578 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.347 -7.131 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.680 -5.871 4.921 1.00 0.00 H new ATOM 374 N PHE A 26 2.078 -5.082 5.121 1.00 0.00 N ATOM 375 CA PHE A 26 3.219 -4.643 4.332 1.00 0.00 C ATOM 376 C PHE A 26 4.463 -4.430 5.191 1.00 0.00 C ATOM 377 O PHE A 26 5.580 -4.482 4.692 1.00 0.00 O ATOM 378 CB PHE A 26 2.883 -3.403 3.485 1.00 0.00 C ATOM 379 CG PHE A 26 1.999 -3.699 2.289 1.00 0.00 C ATOM 380 CD1 PHE A 26 0.660 -4.018 2.444 1.00 0.00 C ATOM 381 CD2 PHE A 26 2.522 -3.673 1.010 1.00 0.00 C ATOM 382 CE1 PHE A 26 -0.133 -4.302 1.353 1.00 0.00 C ATOM 383 CE2 PHE A 26 1.737 -3.956 -0.083 1.00 0.00 C ATOM 384 CZ PHE A 26 0.405 -4.271 0.088 1.00 0.00 C ATOM 0 H PHE A 26 1.389 -4.355 5.312 1.00 0.00 H new ATOM 0 HA PHE A 26 3.454 -5.449 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.388 -2.666 4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.811 -2.951 3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.231 -4.045 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.564 -3.427 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.175 -4.548 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.163 -3.932 -1.075 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.213 -4.493 -0.769 1.00 0.00 H new ATOM 394 N SER A 27 4.266 -4.252 6.490 1.00 0.00 N ATOM 395 CA SER A 27 5.363 -4.070 7.438 1.00 0.00 C ATOM 396 C SER A 27 6.137 -5.371 7.634 1.00 0.00 C ATOM 397 O SER A 27 7.219 -5.377 8.211 1.00 0.00 O ATOM 398 CB SER A 27 4.837 -3.553 8.792 1.00 0.00 C ATOM 399 OG SER A 27 5.896 -3.284 9.699 1.00 0.00 O ATOM 0 H SER A 27 3.341 -4.229 6.919 1.00 0.00 H new ATOM 0 HA SER A 27 6.042 -3.325 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.254 -2.646 8.633 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.164 -4.292 9.227 1.00 0.00 H new ATOM 0 HG SER A 27 6.627 -3.918 9.545 1.00 0.00 H new ATOM 405 N GLN A 28 5.563 -6.469 7.173 1.00 0.00 N ATOM 406 CA GLN A 28 6.201 -7.757 7.264 1.00 0.00 C ATOM 407 C GLN A 28 7.232 -7.888 6.131 1.00 0.00 C ATOM 408 O GLN A 28 8.084 -8.763 6.142 1.00 0.00 O ATOM 409 CB GLN A 28 5.126 -8.848 7.159 1.00 0.00 C ATOM 410 CG GLN A 28 5.607 -10.260 7.453 1.00 0.00 C ATOM 411 CD GLN A 28 6.121 -10.440 8.882 1.00 0.00 C ATOM 412 OE1 GLN A 28 6.993 -11.249 9.138 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.567 -9.703 9.824 1.00 0.00 N ATOM 0 H GLN A 28 4.645 -6.486 6.728 1.00 0.00 H new ATOM 0 HA GLN A 28 6.719 -7.865 8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.317 -8.606 7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.706 -8.826 6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.789 -10.959 7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.402 -10.518 6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.838 -9.032 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.868 -9.804 10.793 1.00 0.00 H new ATOM 422 N PHE A 29 7.134 -6.993 5.163 1.00 0.00 N ATOM 423 CA PHE A 29 8.022 -6.993 4.020 1.00 0.00 C ATOM 424 C PHE A 29 8.902 -5.753 4.009 1.00 0.00 C ATOM 425 O PHE A 29 10.102 -5.841 3.783 1.00 0.00 O ATOM 426 CB PHE A 29 7.227 -7.079 2.709 1.00 0.00 C ATOM 427 CG PHE A 29 6.535 -8.395 2.469 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.325 -8.693 3.078 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.103 -9.337 1.628 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.701 -9.903 2.850 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.483 -10.546 1.397 1.00 0.00 C ATOM 432 CZ PHE A 29 5.280 -10.830 2.009 1.00 0.00 C ATOM 0 H PHE A 29 6.437 -6.248 5.150 1.00 0.00 H new ATOM 0 HA PHE A 29 8.661 -7.872 4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.479 -6.286 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.905 -6.885 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.866 -7.971 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.045 -9.121 1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.759 -10.124 3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.938 -11.270 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.792 -11.777 1.830 1.00 0.00 H new ATOM 442 N GLY A 30 8.312 -4.603 4.277 1.00 0.00 N ATOM 443 CA GLY A 30 9.066 -3.391 4.201 1.00 0.00 C ATOM 444 C GLY A 30 8.804 -2.435 5.338 1.00 0.00 C ATOM 445 O GLY A 30 7.957 -2.677 6.198 1.00 0.00 O ATOM 0 H GLY A 30 7.333 -4.494 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.128 -3.636 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.838 -2.891 3.259 1.00 0.00 H new ATOM 449 N GLU A 31 9.522 -1.338 5.304 1.00 0.00 N ATOM 450 CA GLU A 31 9.492 -0.304 6.320 1.00 0.00 C ATOM 451 C GLU A 31 8.330 0.628 6.044 1.00 0.00 C ATOM 452 O GLU A 31 8.334 1.316 5.034 1.00 0.00 O ATOM 453 CB GLU A 31 10.762 0.509 6.191 1.00 0.00 C ATOM 454 CG GLU A 31 12.011 -0.321 6.006 1.00 0.00 C ATOM 455 CD GLU A 31 13.174 0.533 5.635 1.00 0.00 C ATOM 456 OE1 GLU A 31 13.100 1.255 4.593 1.00 0.00 O ATOM 457 OE2 GLU A 31 14.180 0.533 6.355 1.00 0.00 O1- ATOM 0 H GLU A 31 10.168 -1.130 4.542 1.00 0.00 H new ATOM 0 HA GLU A 31 9.397 -0.753 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.661 1.188 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.878 1.126 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.232 -0.861 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.843 -1.068 5.231 1.00 0.00 H new ATOM 464 N ILE A 32 7.364 0.667 6.914 1.00 0.00 N ATOM 465 CA ILE A 32 6.211 1.516 6.696 1.00 0.00 C ATOM 466 C ILE A 32 6.431 2.877 7.338 1.00 0.00 C ATOM 467 O ILE A 32 6.716 2.967 8.529 1.00 0.00 O ATOM 468 CB ILE A 32 4.913 0.892 7.283 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.722 -0.551 6.800 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.689 1.738 6.935 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.656 -0.712 5.298 1.00 0.00 C ATOM 0 H ILE A 32 7.343 0.127 7.779 1.00 0.00 H new ATOM 0 HA ILE A 32 6.091 1.621 5.618 1.00 0.00 H new ATOM 0 HB ILE A 32 5.020 0.876 8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.543 -1.159 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.804 -0.947 7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.796 1.278 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.810 2.740 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.586 1.801 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.520 -1.765 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.817 -0.136 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.583 -0.351 4.852 1.00 0.00 H new ATOM 483 N LEU A 33 6.343 3.913 6.542 1.00 0.00 N ATOM 484 CA LEU A 33 6.406 5.270 7.053 1.00 0.00 C ATOM 485 C LEU A 33 4.999 5.771 7.290 1.00 0.00 C ATOM 486 O LEU A 33 4.728 6.482 8.253 1.00 0.00 O ATOM 487 CB LEU A 33 7.148 6.202 6.092 1.00 0.00 C ATOM 488 CG LEU A 33 8.618 5.865 5.814 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.230 6.907 4.904 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.414 5.761 7.110 1.00 0.00 C ATOM 0 H LEU A 33 6.227 3.847 5.531 1.00 0.00 H new ATOM 0 HA LEU A 33 6.963 5.264 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.614 6.209 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.099 7.215 6.492 1.00 0.00 H new ATOM 0 HG LEU A 33 8.655 4.895 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.274 6.656 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.685 6.931 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.173 7.885 5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.452 5.521 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.370 6.712 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.990 4.976 7.736 1.00 0.00 H new ATOM 502 N ASP A 34 4.107 5.347 6.419 1.00 0.00 N ATOM 503 CA ASP A 34 2.699 5.679 6.483 1.00 0.00 C ATOM 504 C ASP A 34 1.957 4.760 5.556 1.00 0.00 C ATOM 505 O ASP A 34 2.548 4.198 4.633 1.00 0.00 O ATOM 506 CB ASP A 34 2.376 7.177 6.147 1.00 0.00 C ATOM 507 CG ASP A 34 2.620 7.621 4.704 1.00 0.00 C ATOM 508 OD1 ASP A 34 1.838 7.246 3.802 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 3.586 8.369 4.445 1.00 0.00 O ATOM 0 H ASP A 34 4.346 4.748 5.629 1.00 0.00 H new ATOM 0 HA ASP A 34 2.378 5.545 7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.329 7.363 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.972 7.810 6.804 1.00 0.00 H new ATOM 514 N SER A 35 0.721 4.524 5.857 1.00 0.00 N ATOM 515 CA SER A 35 -0.141 3.716 5.047 1.00 0.00 C ATOM 516 C SER A 35 -1.559 4.148 5.308 1.00 0.00 C ATOM 517 O SER A 35 -2.005 4.119 6.452 1.00 0.00 O ATOM 518 CB SER A 35 0.073 2.223 5.364 1.00 0.00 C ATOM 519 OG SER A 35 0.006 1.975 6.766 1.00 0.00 O ATOM 0 H SER A 35 0.269 4.895 6.693 1.00 0.00 H new ATOM 0 HA SER A 35 0.085 3.848 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.683 1.628 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.043 1.904 4.982 1.00 0.00 H new ATOM 0 HG SER A 35 -0.681 2.548 7.167 1.00 0.00 H new ATOM 525 N LYS A 36 -2.251 4.590 4.286 1.00 0.00 N ATOM 526 CA LYS A 36 -3.601 5.083 4.449 1.00 0.00 C ATOM 527 C LYS A 36 -4.516 4.626 3.352 1.00 0.00 C ATOM 528 O LYS A 36 -4.115 4.539 2.186 1.00 0.00 O ATOM 529 CB LYS A 36 -3.649 6.620 4.567 1.00 0.00 C ATOM 530 CG LYS A 36 -3.144 7.188 5.898 1.00 0.00 C ATOM 531 CD LYS A 36 -3.949 6.653 7.093 1.00 0.00 C ATOM 532 CE LYS A 36 -5.411 7.094 7.075 1.00 0.00 C ATOM 533 NZ LYS A 36 -6.181 6.455 8.181 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.902 4.619 3.328 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.958 4.655 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.057 7.049 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.678 6.948 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.092 6.933 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.207 8.276 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.904 5.564 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.484 6.993 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.468 8.179 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.861 6.833 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.815 7.157 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.744 5.667 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.522 6.095 8.900 1.00 0.00 H new ATOM 547 N ILE A 37 -5.737 4.319 3.735 1.00 0.00 N ATOM 548 CA ILE A 37 -6.771 3.967 2.789 1.00 0.00 C ATOM 549 C ILE A 37 -7.408 5.256 2.341 1.00 0.00 C ATOM 550 O ILE A 37 -7.620 6.166 3.159 1.00 0.00 O ATOM 551 CB ILE A 37 -7.890 3.070 3.424 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.314 1.809 4.061 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.957 2.694 2.395 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.513 0.937 3.130 1.00 0.00 C ATOM 0 H ILE A 37 -6.039 4.307 4.709 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.320 3.402 1.973 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.357 3.665 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.680 2.100 4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.134 1.220 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.717 2.072 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.421 3.600 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.495 2.141 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.146 0.066 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.145 0.610 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.668 1.503 2.738 1.00 0.00 H new ATOM 566 N ILE A 38 -7.683 5.366 1.081 1.00 0.00 N ATOM 567 CA ILE A 38 -8.330 6.534 0.585 1.00 0.00 C ATOM 568 C ILE A 38 -9.828 6.297 0.664 1.00 0.00 C ATOM 569 O ILE A 38 -10.335 5.276 0.165 1.00 0.00 O ATOM 570 CB ILE A 38 -7.875 6.868 -0.862 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.331 6.990 -0.915 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.528 8.157 -1.360 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.738 8.010 0.060 1.00 0.00 C ATOM 0 H ILE A 38 -7.469 4.659 0.377 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.058 7.399 1.189 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.192 6.057 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.895 6.013 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.036 7.262 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.192 8.367 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.612 8.042 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.247 8.983 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.653 8.028 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.140 8.999 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.997 7.731 1.081 1.00 0.00 H new ATOM 585 N ASN A 39 -10.522 7.192 1.326 1.00 0.00 N ATOM 586 CA ASN A 39 -11.944 7.027 1.560 1.00 0.00 C ATOM 587 C ASN A 39 -12.772 7.428 0.378 1.00 0.00 C ATOM 588 O ASN A 39 -12.365 8.248 -0.457 1.00 0.00 O ATOM 589 CB ASN A 39 -12.441 7.774 2.812 1.00 0.00 C ATOM 590 CG ASN A 39 -12.243 9.286 2.748 1.00 0.00 C ATOM 591 OD1 ASN A 39 -13.082 10.020 2.244 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.147 9.759 3.293 1.00 0.00 N ATOM 0 H ASN A 39 -10.126 8.048 1.715 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.073 5.958 1.730 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.501 7.562 2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.919 7.386 3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.976 10.764 3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.466 9.121 3.705 1.00 0.00 H new ATOM 599 N ASP A 40 -13.915 6.839 0.318 1.00 0.00 N ATOM 600 CA ASP A 40 -14.894 7.080 -0.686 1.00 0.00 C ATOM 601 C ASP A 40 -15.869 8.040 -0.059 1.00 0.00 C ATOM 602 O ASP A 40 -16.616 7.668 0.836 1.00 0.00 O ATOM 603 CB ASP A 40 -15.588 5.748 -1.001 1.00 0.00 C ATOM 604 CG ASP A 40 -16.573 5.790 -2.124 1.00 0.00 C ATOM 605 OD1 ASP A 40 -17.605 6.458 -2.002 1.00 0.00 O1- ATOM 606 OD2 ASP A 40 -16.336 5.103 -3.159 1.00 0.00 O ATOM 0 H ASP A 40 -14.208 6.141 1.002 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.479 7.483 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.825 5.007 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.101 5.403 -0.103 1.00 0.00 H new ATOM 611 N ARG A 41 -15.834 9.260 -0.502 1.00 0.00 N ATOM 612 CA ARG A 41 -16.623 10.338 0.097 1.00 0.00 C ATOM 613 C ARG A 41 -18.075 10.126 -0.240 1.00 0.00 C ATOM 614 O ARG A 41 -18.961 10.275 0.592 1.00 0.00 O ATOM 615 CB ARG A 41 -16.198 11.661 -0.521 1.00 0.00 C ATOM 616 CG ARG A 41 -14.702 11.900 -0.559 1.00 0.00 C ATOM 617 CD ARG A 41 -14.372 12.940 -1.614 1.00 0.00 C ATOM 618 NE ARG A 41 -14.841 12.505 -2.957 1.00 0.00 N ATOM 619 CZ ARG A 41 -14.598 13.115 -4.123 1.00 0.00 C ATOM 620 NH1 ARG A 41 -13.890 14.254 -4.159 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -15.072 12.582 -5.257 1.00 0.00 N ATOM 0 H ARG A 41 -15.260 9.556 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.471 10.345 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.584 11.710 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.666 12.472 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.354 12.237 0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.181 10.968 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.839 13.890 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.296 13.110 -1.638 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.405 11.656 -2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.533 14.660 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.708 14.714 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.613 11.718 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.892 13.040 -6.150 1.00 0.00 H new ATOM 635 N GLU A 42 -18.267 9.772 -1.486 1.00 0.00 N ATOM 636 CA GLU A 42 -19.539 9.589 -2.111 1.00 0.00 C ATOM 637 C GLU A 42 -20.438 8.580 -1.379 1.00 0.00 C ATOM 638 O GLU A 42 -21.648 8.766 -1.309 1.00 0.00 O ATOM 639 CB GLU A 42 -19.357 9.205 -3.607 1.00 0.00 C ATOM 640 CG GLU A 42 -18.634 10.267 -4.492 1.00 0.00 C ATOM 641 CD GLU A 42 -17.091 10.289 -4.415 1.00 0.00 C ATOM 642 OE1 GLU A 42 -16.507 10.425 -3.332 1.00 0.00 O1- ATOM 643 OE2 GLU A 42 -16.422 10.196 -5.471 1.00 0.00 O ATOM 0 H GLU A 42 -17.490 9.595 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 42 -20.059 10.545 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -18.795 8.272 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.340 9.009 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -18.922 10.100 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.004 11.254 -4.213 1.00 0.00 H new ATOM 650 N THR A 43 -19.863 7.518 -0.850 1.00 0.00 N ATOM 651 CA THR A 43 -20.669 6.533 -0.144 1.00 0.00 C ATOM 652 C THR A 43 -20.284 6.370 1.330 1.00 0.00 C ATOM 653 O THR A 43 -20.956 5.648 2.069 1.00 0.00 O ATOM 654 CB THR A 43 -20.619 5.161 -0.847 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.260 4.747 -1.019 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.271 5.226 -2.201 1.00 0.00 C ATOM 0 H THR A 43 -18.864 7.314 -0.891 1.00 0.00 H new ATOM 0 HA THR A 43 -21.687 6.921 -0.170 1.00 0.00 H new ATOM 0 HB THR A 43 -21.155 4.448 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 43 -18.829 5.312 -1.693 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.222 4.246 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.314 5.524 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 43 -20.750 5.956 -2.821 1.00 0.00 H new ATOM 664 N GLY A 44 -19.210 7.022 1.753 1.00 0.00 N ATOM 665 CA GLY A 44 -18.753 6.875 3.130 1.00 0.00 C ATOM 666 C GLY A 44 -18.007 5.564 3.326 1.00 0.00 C ATOM 667 O GLY A 44 -17.896 5.047 4.432 1.00 0.00 O ATOM 0 H GLY A 44 -18.647 7.647 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.102 7.709 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.608 6.915 3.806 1.00 0.00 H new ATOM 671 N ARG A 45 -17.516 5.035 2.235 1.00 0.00 N ATOM 672 CA ARG A 45 -16.790 3.776 2.215 1.00 0.00 C ATOM 673 C ARG A 45 -15.308 4.034 1.954 1.00 0.00 C ATOM 674 O ARG A 45 -14.803 5.124 2.181 1.00 0.00 O ATOM 675 CB ARG A 45 -17.330 2.927 1.073 1.00 0.00 C ATOM 676 CG ARG A 45 -18.690 2.285 1.272 1.00 0.00 C ATOM 677 CD ARG A 45 -19.236 1.785 -0.075 1.00 0.00 C ATOM 678 NE ARG A 45 -18.218 1.043 -0.877 1.00 0.00 N ATOM 679 CZ ARG A 45 -17.530 1.583 -1.932 1.00 0.00 C ATOM 680 NH1 ARG A 45 -17.735 2.855 -2.276 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -16.639 0.849 -2.608 1.00 0.00 N ATOM 0 H ARG A 45 -17.607 5.469 1.316 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.913 3.272 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.378 3.551 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.609 2.135 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -18.610 1.454 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -19.381 3.005 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -20.093 1.136 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.597 2.636 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.023 0.074 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.402 3.423 -1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.224 3.260 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.468 -0.120 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.131 1.258 -3.392 1.00 0.00 H new ATOM 695 N SER A 46 -14.624 3.019 1.496 1.00 0.00 N ATOM 696 CA SER A 46 -13.270 3.136 1.050 1.00 0.00 C ATOM 697 C SER A 46 -13.291 3.130 -0.488 1.00 0.00 C ATOM 698 O SER A 46 -14.184 2.519 -1.084 1.00 0.00 O ATOM 699 CB SER A 46 -12.485 1.938 1.573 1.00 0.00 C ATOM 700 OG SER A 46 -12.666 1.813 2.972 1.00 0.00 O ATOM 0 H SER A 46 -15.002 2.075 1.423 1.00 0.00 H new ATOM 0 HA SER A 46 -12.802 4.051 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.817 1.029 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.426 2.059 1.344 1.00 0.00 H new ATOM 0 HG SER A 46 -12.160 1.040 3.300 1.00 0.00 H new ATOM 706 N ARG A 47 -12.333 3.804 -1.126 1.00 0.00 N ATOM 707 CA ARG A 47 -12.262 3.852 -2.607 1.00 0.00 C ATOM 708 C ARG A 47 -11.868 2.486 -3.170 1.00 0.00 C ATOM 709 O ARG A 47 -12.029 2.223 -4.348 1.00 0.00 O ATOM 710 CB ARG A 47 -11.219 4.871 -3.066 1.00 0.00 C ATOM 711 CG ARG A 47 -11.504 6.336 -2.761 1.00 0.00 C ATOM 712 CD ARG A 47 -12.263 7.078 -3.876 1.00 0.00 C ATOM 713 NE ARG A 47 -13.682 6.713 -4.044 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.598 7.520 -4.640 1.00 0.00 C ATOM 715 NH1 ARG A 47 -14.239 8.697 -5.133 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.857 7.154 -4.731 1.00 0.00 N ATOM 0 H ARG A 47 -11.594 4.325 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.248 4.138 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.265 4.609 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.095 4.767 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.083 6.397 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.559 6.848 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.204 8.148 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.748 6.900 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.992 5.806 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.268 9.003 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.933 9.296 -5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.156 6.255 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.536 7.769 -5.181 1.00 0.00 H new ATOM 730 N GLY A 48 -11.339 1.637 -2.308 1.00 0.00 N ATOM 731 CA GLY A 48 -10.922 0.318 -2.724 1.00 0.00 C ATOM 732 C GLY A 48 -9.439 0.253 -2.981 1.00 0.00 C ATOM 733 O GLY A 48 -8.925 -0.750 -3.494 1.00 0.00 O ATOM 0 H GLY A 48 -11.190 1.840 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.189 -0.407 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.460 0.036 -3.629 1.00 0.00 H new ATOM 737 N PHE A 49 -8.741 1.316 -2.632 1.00 0.00 N ATOM 738 CA PHE A 49 -7.314 1.357 -2.781 1.00 0.00 C ATOM 739 C PHE A 49 -6.723 2.250 -1.698 1.00 0.00 C ATOM 740 O PHE A 49 -7.463 2.992 -1.013 1.00 0.00 O ATOM 741 CB PHE A 49 -6.895 1.841 -4.197 1.00 0.00 C ATOM 742 CG PHE A 49 -7.044 3.312 -4.467 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.243 3.851 -4.892 1.00 0.00 C ATOM 744 CD2 PHE A 49 -5.959 4.150 -4.300 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.355 5.206 -5.143 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.060 5.500 -4.547 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.260 6.032 -4.970 1.00 0.00 C ATOM 0 H PHE A 49 -9.150 2.165 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.923 0.346 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.852 1.567 -4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.485 1.296 -4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.100 3.208 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.016 3.739 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.297 5.619 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.202 6.141 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.344 7.091 -5.166 1.00 0.00 H new ATOM 757 N GLY A 50 -5.434 2.169 -1.535 1.00 0.00 N ATOM 758 CA GLY A 50 -4.742 2.961 -0.573 1.00 0.00 C ATOM 759 C GLY A 50 -3.293 3.095 -0.949 1.00 0.00 C ATOM 760 O GLY A 50 -2.852 2.521 -1.955 1.00 0.00 O ATOM 0 H GLY A 50 -4.833 1.545 -2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.200 3.948 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.828 2.504 0.413 1.00 0.00 H new ATOM 764 N PHE A 51 -2.556 3.825 -0.166 1.00 0.00 N ATOM 765 CA PHE A 51 -1.148 4.027 -0.418 1.00 0.00 C ATOM 766 C PHE A 51 -0.338 3.550 0.753 1.00 0.00 C ATOM 767 O PHE A 51 -0.791 3.622 1.907 1.00 0.00 O ATOM 768 CB PHE A 51 -0.821 5.499 -0.720 1.00 0.00 C ATOM 769 CG PHE A 51 -1.369 6.010 -2.025 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.700 5.760 -3.211 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.542 6.741 -2.066 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.191 6.230 -4.414 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.039 7.215 -3.265 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.362 6.959 -4.440 1.00 0.00 C ATOM 0 H PHE A 51 -2.907 4.300 0.666 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.888 3.444 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.211 6.117 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.262 5.623 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.217 5.190 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.076 6.944 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.659 6.027 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.956 7.785 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.748 7.329 -5.378 1.00 0.00 H new ATOM 784 N VAL A 52 0.835 3.051 0.462 1.00 0.00 N ATOM 785 CA VAL A 52 1.750 2.561 1.469 1.00 0.00 C ATOM 786 C VAL A 52 3.084 3.235 1.226 1.00 0.00 C ATOM 787 O VAL A 52 3.525 3.330 0.086 1.00 0.00 O ATOM 788 CB VAL A 52 1.940 1.015 1.394 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.778 0.522 2.552 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.610 0.289 1.376 1.00 0.00 C ATOM 0 H VAL A 52 1.189 2.971 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 52 1.346 2.787 2.456 1.00 0.00 H new ATOM 0 HB VAL A 52 2.459 0.798 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.898 -0.559 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.758 0.999 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.283 0.770 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.783 -0.786 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.055 0.523 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.034 0.607 0.507 1.00 0.00 H new ATOM 800 N THR A 53 3.684 3.733 2.246 1.00 0.00 N ATOM 801 CA THR A 53 4.915 4.437 2.120 1.00 0.00 C ATOM 802 C THR A 53 6.058 3.714 2.802 1.00 0.00 C ATOM 803 O THR A 53 5.926 3.243 3.932 1.00 0.00 O ATOM 804 CB THR A 53 4.723 5.812 2.701 1.00 0.00 C ATOM 805 OG1 THR A 53 3.605 6.380 2.028 1.00 0.00 O ATOM 806 CG2 THR A 53 5.959 6.685 2.510 1.00 0.00 C ATOM 0 H THR A 53 3.334 3.665 3.202 1.00 0.00 H new ATOM 0 HA THR A 53 5.186 4.503 1.066 1.00 0.00 H new ATOM 0 HB THR A 53 4.556 5.749 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.823 6.360 2.618 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.780 7.669 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.812 6.221 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.169 6.790 1.446 1.00 0.00 H new ATOM 814 N PHE A 54 7.164 3.638 2.102 1.00 0.00 N ATOM 815 CA PHE A 54 8.350 2.976 2.554 1.00 0.00 C ATOM 816 C PHE A 54 9.496 3.950 2.558 1.00 0.00 C ATOM 817 O PHE A 54 9.446 4.964 1.868 1.00 0.00 O ATOM 818 CB PHE A 54 8.694 1.833 1.614 1.00 0.00 C ATOM 819 CG PHE A 54 7.649 0.758 1.533 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.617 0.840 0.611 1.00 0.00 C ATOM 821 CD2 PHE A 54 7.702 -0.333 2.369 1.00 0.00 C ATOM 822 CE1 PHE A 54 5.665 -0.148 0.531 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.749 -1.324 2.296 1.00 0.00 C ATOM 824 CZ PHE A 54 5.731 -1.231 1.377 1.00 0.00 C ATOM 0 H PHE A 54 7.260 4.050 1.174 1.00 0.00 H new ATOM 0 HA PHE A 54 8.178 2.590 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.859 2.238 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.634 1.385 1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.560 1.690 -0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.501 -0.413 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.868 -0.075 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.801 -2.174 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.983 -2.008 1.319 1.00 0.00 H new ATOM 834 N LYS A 55 10.521 3.653 3.317 1.00 0.00 N ATOM 835 CA LYS A 55 11.689 4.503 3.335 1.00 0.00 C ATOM 836 C LYS A 55 12.632 4.148 2.192 1.00 0.00 C ATOM 837 O LYS A 55 13.057 5.012 1.446 1.00 0.00 O ATOM 838 CB LYS A 55 12.425 4.439 4.683 1.00 0.00 C ATOM 839 CG LYS A 55 13.759 5.188 4.672 1.00 0.00 C ATOM 840 CD LYS A 55 14.525 5.106 5.994 1.00 0.00 C ATOM 841 CE LYS A 55 14.728 3.670 6.487 1.00 0.00 C ATOM 842 NZ LYS A 55 15.189 2.738 5.432 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.573 2.837 3.926 1.00 0.00 H new ATOM 0 HA LYS A 55 11.345 5.528 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.786 4.858 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.602 3.396 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.384 4.785 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.575 6.236 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.498 5.582 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.986 5.671 6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.455 3.673 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.789 3.301 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.593 1.887 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.384 2.468 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.915 3.204 4.850 1.00 0.00 H new ATOM 856 N ASP A 56 12.952 2.884 2.050 1.00 0.00 N ATOM 857 CA ASP A 56 13.872 2.492 1.000 1.00 0.00 C ATOM 858 C ASP A 56 13.223 1.700 -0.090 1.00 0.00 C ATOM 859 O ASP A 56 12.232 0.991 0.141 1.00 0.00 O ATOM 860 CB ASP A 56 15.158 1.832 1.521 1.00 0.00 C ATOM 861 CG ASP A 56 16.196 2.864 1.933 1.00 0.00 C ATOM 862 OD1 ASP A 56 16.921 3.367 1.062 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 16.292 3.233 3.134 1.00 0.00 O ATOM 0 H ASP A 56 12.601 2.123 2.631 1.00 0.00 H new ATOM 0 HA ASP A 56 14.187 3.431 0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.920 1.196 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.574 1.187 0.748 1.00 0.00 H new ATOM 868 N GLU A 57 13.801 1.823 -1.280 1.00 0.00 N ATOM 869 CA GLU A 57 13.286 1.229 -2.514 1.00 0.00 C ATOM 870 C GLU A 57 13.103 -0.268 -2.365 1.00 0.00 C ATOM 871 O GLU A 57 12.018 -0.768 -2.605 1.00 0.00 O ATOM 872 CB GLU A 57 14.239 1.574 -3.690 1.00 0.00 C ATOM 873 CG GLU A 57 13.717 1.296 -5.121 1.00 0.00 C ATOM 874 CD GLU A 57 13.548 -0.174 -5.475 1.00 0.00 C ATOM 875 OE1 GLU A 57 14.451 -0.960 -5.172 1.00 0.00 O1- ATOM 876 OE2 GLU A 57 12.487 -0.540 -6.042 1.00 0.00 O ATOM 0 H GLU A 57 14.662 2.351 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 57 12.303 1.647 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.493 2.632 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.164 1.014 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.756 1.795 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.405 1.749 -5.836 1.00 0.00 H new ATOM 883 N LYS A 58 14.144 -0.966 -1.912 1.00 0.00 N ATOM 884 CA LYS A 58 14.079 -2.419 -1.797 1.00 0.00 C ATOM 885 C LYS A 58 12.950 -2.854 -0.873 1.00 0.00 C ATOM 886 O LYS A 58 12.215 -3.744 -1.201 1.00 0.00 O ATOM 887 CB LYS A 58 15.401 -3.037 -1.328 1.00 0.00 C ATOM 888 CG LYS A 58 15.364 -4.565 -1.348 1.00 0.00 C ATOM 889 CD LYS A 58 16.595 -5.195 -0.734 1.00 0.00 C ATOM 890 CE LYS A 58 16.505 -6.723 -0.768 1.00 0.00 C ATOM 891 NZ LYS A 58 15.298 -7.240 -0.069 1.00 0.00 N1+ ATOM 0 H LYS A 58 15.031 -0.554 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 58 13.880 -2.789 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.211 -2.687 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.622 -2.694 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.480 -4.908 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.263 -4.907 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.483 -4.867 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.706 -4.857 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.492 -7.060 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.397 -7.146 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.585 -7.927 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.793 -6.450 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.671 -7.705 -0.756 1.00 0.00 H new ATOM 905 N ALA A 59 12.788 -2.158 0.246 1.00 0.00 N ATOM 906 CA ALA A 59 11.747 -2.493 1.222 1.00 0.00 C ATOM 907 C ALA A 59 10.362 -2.334 0.597 1.00 0.00 C ATOM 908 O ALA A 59 9.432 -3.072 0.909 1.00 0.00 O ATOM 909 CB ALA A 59 11.883 -1.616 2.453 1.00 0.00 C ATOM 0 H ALA A 59 13.363 -1.356 0.504 1.00 0.00 H new ATOM 0 HA ALA A 59 11.869 -3.533 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.105 -1.874 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.862 -1.774 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.781 -0.569 2.167 1.00 0.00 H new ATOM 915 N MET A 60 10.249 -1.368 -0.293 1.00 0.00 N ATOM 916 CA MET A 60 9.030 -1.144 -1.038 1.00 0.00 C ATOM 917 C MET A 60 8.836 -2.294 -2.011 1.00 0.00 C ATOM 918 O MET A 60 7.789 -2.926 -2.058 1.00 0.00 O ATOM 919 CB MET A 60 9.158 0.146 -1.847 1.00 0.00 C ATOM 920 CG MET A 60 7.992 0.420 -2.775 1.00 0.00 C ATOM 921 SD MET A 60 8.433 1.521 -4.131 1.00 0.00 S ATOM 922 CE MET A 60 9.704 0.525 -4.959 1.00 0.00 C ATOM 0 H MET A 60 11.001 -0.717 -0.519 1.00 0.00 H new ATOM 0 HA MET A 60 8.189 -1.073 -0.349 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.263 0.984 -1.158 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.074 0.102 -2.437 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.626 -0.523 -3.181 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.174 0.860 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.854 0.896 -5.973 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.640 0.596 -4.405 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.383 -0.516 -4.997 1.00 0.00 H new ATOM 932 N ARG A 61 9.887 -2.553 -2.748 1.00 0.00 N ATOM 933 CA ARG A 61 9.949 -3.520 -3.798 1.00 0.00 C ATOM 934 C ARG A 61 9.636 -4.934 -3.282 1.00 0.00 C ATOM 935 O ARG A 61 8.807 -5.637 -3.863 1.00 0.00 O ATOM 936 CB ARG A 61 11.342 -3.417 -4.386 1.00 0.00 C ATOM 937 CG ARG A 61 11.578 -4.178 -5.638 1.00 0.00 C ATOM 938 CD ARG A 61 10.628 -3.767 -6.739 1.00 0.00 C ATOM 939 NE ARG A 61 10.756 -2.357 -7.074 1.00 0.00 N ATOM 940 CZ ARG A 61 9.954 -1.705 -7.894 1.00 0.00 C ATOM 941 NH1 ARG A 61 8.864 -2.289 -8.403 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 10.216 -0.453 -8.184 1.00 0.00 N ATOM 0 H ARG A 61 10.771 -2.061 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 61 9.197 -3.324 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.557 -2.366 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.057 -3.758 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.605 -4.022 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.465 -5.244 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.821 -4.369 -7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.604 -3.974 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 61 11.520 -1.835 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.641 -3.254 -8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.255 -1.769 -9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.032 0.005 -7.777 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.604 0.063 -8.817 1.00 0.00 H new ATOM 956 N ASP A 62 10.247 -5.304 -2.151 1.00 0.00 N ATOM 957 CA ASP A 62 10.019 -6.615 -1.498 1.00 0.00 C ATOM 958 C ASP A 62 8.541 -6.800 -1.197 1.00 0.00 C ATOM 959 O ASP A 62 8.000 -7.908 -1.265 1.00 0.00 O ATOM 960 CB ASP A 62 10.799 -6.757 -0.157 1.00 0.00 C ATOM 961 CG ASP A 62 12.319 -6.808 -0.269 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.874 -7.658 -1.006 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 13.016 -6.012 0.404 1.00 0.00 O ATOM 0 H ASP A 62 10.913 -4.711 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 62 10.378 -7.372 -2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.530 -5.920 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.461 -7.665 0.343 1.00 0.00 H new ATOM 968 N ALA A 63 7.878 -5.699 -0.901 1.00 0.00 N ATOM 969 CA ALA A 63 6.489 -5.730 -0.548 1.00 0.00 C ATOM 970 C ALA A 63 5.615 -5.757 -1.787 1.00 0.00 C ATOM 971 O ALA A 63 4.514 -6.305 -1.766 1.00 0.00 O ATOM 972 CB ALA A 63 6.140 -4.548 0.333 1.00 0.00 C ATOM 0 H ALA A 63 8.292 -4.767 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 63 6.300 -6.645 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.082 -4.587 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.738 -4.584 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.349 -3.621 -0.202 1.00 0.00 H new ATOM 978 N ILE A 64 6.113 -5.190 -2.873 1.00 0.00 N ATOM 979 CA ILE A 64 5.369 -5.142 -4.109 1.00 0.00 C ATOM 980 C ILE A 64 5.260 -6.523 -4.727 1.00 0.00 C ATOM 981 O ILE A 64 4.157 -7.028 -4.886 1.00 0.00 O ATOM 982 CB ILE A 64 5.962 -4.117 -5.116 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.867 -2.705 -4.527 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.229 -4.181 -6.463 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.518 -1.636 -5.360 1.00 0.00 C ATOM 0 H ILE A 64 7.035 -4.756 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 64 4.364 -4.796 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 64 7.008 -4.367 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.816 -2.452 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.325 -2.706 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.664 -3.454 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.328 -5.181 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.174 -3.953 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.402 -0.670 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.578 -1.860 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.046 -1.602 -6.342 1.00 0.00 H new ATOM 997 N GLU A 65 6.383 -7.174 -4.985 1.00 0.00 N ATOM 998 CA GLU A 65 6.352 -8.493 -5.576 1.00 0.00 C ATOM 999 C GLU A 65 5.810 -9.548 -4.609 1.00 0.00 C ATOM 1000 O GLU A 65 5.362 -10.609 -5.030 1.00 0.00 O ATOM 1001 CB GLU A 65 7.716 -8.917 -6.119 1.00 0.00 C ATOM 1002 CG GLU A 65 8.182 -8.196 -7.389 1.00 0.00 C ATOM 1003 CD GLU A 65 8.674 -6.792 -7.150 1.00 0.00 C ATOM 1004 OE1 GLU A 65 9.840 -6.650 -6.793 1.00 0.00 O ATOM 1005 OE2 GLU A 65 7.905 -5.828 -7.341 1.00 0.00 O1- ATOM 0 H GLU A 65 7.317 -6.811 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 65 5.664 -8.426 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.461 -8.759 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.689 -9.988 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.980 -8.776 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.357 -8.165 -8.101 1.00 0.00 H new ATOM 1012 N GLY A 66 5.857 -9.250 -3.324 1.00 0.00 N ATOM 1013 CA GLY A 66 5.352 -10.175 -2.340 1.00 0.00 C ATOM 1014 C GLY A 66 3.837 -10.139 -2.209 1.00 0.00 C ATOM 1015 O GLY A 66 3.219 -11.148 -1.928 1.00 0.00 O ATOM 0 H GLY A 66 6.237 -8.383 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.664 -11.185 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.800 -9.947 -1.373 1.00 0.00 H new ATOM 1019 N MET A 67 3.249 -8.978 -2.431 1.00 0.00 N ATOM 1020 CA MET A 67 1.802 -8.807 -2.249 1.00 0.00 C ATOM 1021 C MET A 67 1.031 -8.715 -3.557 1.00 0.00 C ATOM 1022 O MET A 67 -0.168 -8.999 -3.595 1.00 0.00 O ATOM 1023 CB MET A 67 1.513 -7.568 -1.402 1.00 0.00 C ATOM 1024 CG MET A 67 1.779 -7.731 0.081 1.00 0.00 C ATOM 1025 SD MET A 67 0.572 -8.806 0.879 1.00 0.00 S ATOM 1026 CE MET A 67 1.171 -8.781 2.555 1.00 0.00 C ATOM 0 H MET A 67 3.740 -8.138 -2.736 1.00 0.00 H new ATOM 0 HA MET A 67 1.457 -9.706 -1.737 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.117 -6.742 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.469 -7.287 -1.540 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.779 -8.141 0.226 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.763 -6.752 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.372 -9.086 3.231 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.011 -9.469 2.652 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.497 -7.773 2.810 1.00 0.00 H new ATOM 1036 N ASN A 68 1.690 -8.309 -4.622 1.00 0.00 N ATOM 1037 CA ASN A 68 1.002 -8.103 -5.898 1.00 0.00 C ATOM 1038 C ASN A 68 0.499 -9.416 -6.465 1.00 0.00 C ATOM 1039 O ASN A 68 1.285 -10.299 -6.794 1.00 0.00 O ATOM 1040 CB ASN A 68 1.930 -7.441 -6.924 1.00 0.00 C ATOM 1041 CG ASN A 68 1.223 -7.076 -8.218 1.00 0.00 C ATOM 1042 OD1 ASN A 68 0.035 -6.743 -8.224 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.942 -7.120 -9.314 1.00 0.00 N ATOM 0 H ASN A 68 2.691 -8.114 -4.640 1.00 0.00 H new ATOM 0 HA ASN A 68 0.154 -7.447 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.362 -6.541 -6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.757 -8.116 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.521 -6.874 -10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.922 -7.400 -9.270 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.805 -9.537 -6.576 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.372 -10.712 -7.162 1.00 0.00 C ATOM 1052 C GLY A 69 -2.072 -11.601 -6.165 1.00 0.00 C ATOM 1053 O GLY A 69 -2.913 -12.414 -6.550 1.00 0.00 O ATOM 0 H GLY A 69 -1.481 -8.838 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.081 -10.417 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.583 -11.281 -7.653 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.760 -11.462 -4.888 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.395 -12.322 -3.908 1.00 0.00 C ATOM 1059 C GLN A 70 -3.701 -11.724 -3.417 1.00 0.00 C ATOM 1060 O GLN A 70 -4.043 -10.576 -3.734 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.500 -12.649 -2.703 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.193 -11.476 -1.791 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.704 -11.936 -0.437 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.472 -12.121 -0.213 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -1.627 -12.155 0.473 1.00 0.00 N ATOM 0 H GLN A 70 -1.094 -10.786 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.589 -13.259 -4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.981 -13.430 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.559 -13.060 -3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.438 -10.842 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.088 -10.867 -1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.609 -11.990 0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.361 -12.490 1.399 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.410 -12.500 -2.639 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.661 -12.086 -2.060 1.00 0.00 C ATOM 1076 C ASP A 71 -5.381 -11.648 -0.628 1.00 0.00 C ATOM 1077 O ASP A 71 -4.592 -12.297 0.084 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.666 -13.251 -2.106 1.00 0.00 C ATOM 1079 CG ASP A 71 -8.078 -12.844 -1.730 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -8.358 -12.726 -0.526 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.932 -12.654 -2.669 1.00 0.00 O1- ATOM 0 H ASP A 71 -4.131 -13.448 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.099 -11.257 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.673 -13.675 -3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.330 -14.037 -1.430 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.931 -10.532 -0.239 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.734 -9.979 1.074 1.00 0.00 C ATOM 1088 C LEU A 72 -7.083 -9.475 1.593 1.00 0.00 C ATOM 1089 O LEU A 72 -7.777 -8.718 0.910 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.639 -8.867 1.009 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.143 -8.241 2.339 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -2.784 -7.597 2.137 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -5.099 -7.171 2.829 1.00 0.00 C ATOM 0 H LEU A 72 -6.539 -9.971 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.372 -10.729 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.773 -9.284 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.022 -8.060 0.385 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.083 -9.043 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.445 -7.161 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.069 -8.351 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.860 -6.816 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.726 -6.750 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.177 -6.382 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.082 -7.611 2.996 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.452 -9.966 2.777 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.750 -9.691 3.468 1.00 0.00 C ATOM 1107 C ASP A 73 -9.938 -10.076 2.615 1.00 0.00 C ATOM 1108 O ASP A 73 -11.059 -9.588 2.829 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.917 -8.219 3.886 1.00 0.00 C ATOM 1110 CG ASP A 73 -7.951 -7.750 4.930 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -7.677 -8.504 5.876 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -7.487 -6.588 4.813 1.00 0.00 O1- ATOM 0 H ASP A 73 -6.848 -10.589 3.314 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.719 -10.308 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.809 -7.590 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.931 -8.074 4.258 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.741 -11.006 1.724 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.809 -11.438 0.897 1.00 0.00 C ATOM 1119 C GLY A 74 -10.821 -10.783 -0.468 1.00 0.00 C ATOM 1120 O GLY A 74 -11.798 -10.954 -1.209 1.00 0.00 O ATOM 0 H GLY A 74 -8.849 -11.473 1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.746 -12.519 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.754 -11.230 1.399 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.809 -9.961 -0.801 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.730 -9.472 -2.160 1.00 0.00 C ATOM 1126 C ARG A 75 -8.298 -9.428 -2.731 1.00 0.00 C ATOM 1127 O ARG A 75 -7.351 -9.132 -2.024 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.497 -8.168 -2.401 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.882 -7.951 -3.880 1.00 0.00 C ATOM 1130 CD ARG A 75 -11.879 -9.036 -4.389 1.00 0.00 C ATOM 1131 NE ARG A 75 -11.320 -10.423 -4.343 1.00 0.00 N ATOM 1132 CZ ARG A 75 -12.003 -11.555 -4.205 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -13.306 -11.598 -4.498 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -11.366 -12.661 -3.791 1.00 0.00 N ATOM 0 H ARG A 75 -9.074 -9.642 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.254 -10.233 -2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.402 -8.169 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.888 -7.329 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.329 -6.964 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.982 -7.968 -4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.786 -8.997 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.167 -8.802 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.307 -10.509 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.782 -10.759 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.825 -12.470 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.367 -12.628 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.880 -13.535 -3.682 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.172 -9.729 -4.026 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.904 -9.738 -4.737 1.00 0.00 C ATOM 1150 C ASN A 76 -6.421 -8.338 -4.985 1.00 0.00 C ATOM 1151 O ASN A 76 -7.082 -7.526 -5.636 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.016 -10.553 -6.047 1.00 0.00 C ATOM 1153 CG ASN A 76 -8.117 -10.060 -6.983 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -9.278 -10.454 -6.850 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -7.770 -9.233 -7.942 1.00 0.00 N ATOM 0 H ASN A 76 -8.967 -9.977 -4.615 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.159 -10.230 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.061 -10.515 -6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.202 -11.598 -5.800 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.470 -8.898 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.801 -8.926 -8.025 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.272 -8.072 -4.476 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.707 -6.767 -4.514 1.00 0.00 C ATOM 1164 C ILE A 77 -3.676 -6.619 -5.622 1.00 0.00 C ATOM 1165 O ILE A 77 -2.929 -7.555 -5.949 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.077 -6.395 -3.157 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.096 -7.487 -2.715 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.169 -6.208 -2.109 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.255 -7.110 -1.527 1.00 0.00 C ATOM 0 H ILE A 77 -4.686 -8.766 -4.013 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.526 -6.080 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.530 -5.458 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.657 -8.391 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.439 -7.730 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.715 -5.945 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.842 -5.410 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.732 -7.135 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.588 -7.935 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.665 -6.225 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.902 -6.896 -0.676 1.00 0.00 H new ATOM 1181 N THR A 78 -3.664 -5.461 -6.199 1.00 0.00 N ATOM 1182 CA THR A 78 -2.728 -5.098 -7.211 1.00 0.00 C ATOM 1183 C THR A 78 -1.777 -4.086 -6.591 1.00 0.00 C ATOM 1184 O THR A 78 -2.205 -3.010 -6.144 1.00 0.00 O ATOM 1185 CB THR A 78 -3.464 -4.466 -8.402 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.532 -5.343 -8.790 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.520 -4.272 -9.585 1.00 0.00 C ATOM 0 H THR A 78 -4.326 -4.719 -5.971 1.00 0.00 H new ATOM 0 HA THR A 78 -2.186 -5.971 -7.574 1.00 0.00 H new ATOM 0 HB THR A 78 -3.850 -3.490 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.015 -4.954 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.065 -3.823 -10.415 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.700 -3.616 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.120 -5.238 -9.893 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.523 -4.438 -6.525 1.00 0.00 N ATOM 1196 CA VAL A 79 0.465 -3.618 -5.864 1.00 0.00 C ATOM 1197 C VAL A 79 1.537 -3.206 -6.854 1.00 0.00 C ATOM 1198 O VAL A 79 2.006 -4.025 -7.640 1.00 0.00 O ATOM 1199 CB VAL A 79 1.128 -4.387 -4.678 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.116 -3.510 -3.932 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.082 -4.926 -3.721 1.00 0.00 C ATOM 0 H VAL A 79 -0.153 -5.300 -6.926 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.037 -2.734 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 79 1.673 -5.229 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.559 -4.076 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.901 -3.185 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.599 -2.638 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.574 -5.457 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.501 -4.099 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.579 -5.610 -4.253 1.00 0.00 H new ATOM 1211 N ASN A 80 1.873 -1.948 -6.842 1.00 0.00 N ATOM 1212 CA ASN A 80 2.926 -1.395 -7.676 1.00 0.00 C ATOM 1213 C ASN A 80 3.456 -0.149 -7.019 1.00 0.00 C ATOM 1214 O ASN A 80 2.924 0.280 -5.976 1.00 0.00 O ATOM 1215 CB ASN A 80 2.447 -1.104 -9.129 1.00 0.00 C ATOM 1216 CG ASN A 80 1.230 -0.176 -9.242 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.984 0.680 -8.415 1.00 0.00 O ATOM 1218 ND2 ASN A 80 0.460 -0.351 -10.289 1.00 0.00 N ATOM 0 H ASN A 80 1.420 -1.257 -6.244 1.00 0.00 H new ATOM 0 HA ASN A 80 3.721 -2.136 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.274 -0.662 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.208 -2.051 -9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.363 0.237 -10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.684 -1.075 -10.972 1.00 0.00 H new ATOM 1225 N GLU A 81 4.501 0.409 -7.543 1.00 0.00 N ATOM 1226 CA GLU A 81 4.994 1.635 -7.024 1.00 0.00 C ATOM 1227 C GLU A 81 4.150 2.769 -7.554 1.00 0.00 C ATOM 1228 O GLU A 81 3.610 2.704 -8.656 1.00 0.00 O ATOM 1229 CB GLU A 81 6.474 1.885 -7.345 1.00 0.00 C ATOM 1230 CG GLU A 81 6.819 1.917 -8.825 1.00 0.00 C ATOM 1231 CD GLU A 81 7.062 0.543 -9.414 1.00 0.00 C ATOM 1232 OE1 GLU A 81 6.110 -0.243 -9.546 1.00 0.00 O ATOM 1233 OE2 GLU A 81 8.223 0.238 -9.725 1.00 0.00 O1- ATOM 0 H GLU A 81 5.027 0.031 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 81 4.926 1.576 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.771 2.834 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.069 1.108 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.008 2.400 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.709 2.529 -8.970 1.00 0.00 H new ATOM 1240 N ALA A 82 4.049 3.800 -6.787 1.00 0.00 N ATOM 1241 CA ALA A 82 3.242 4.929 -7.162 1.00 0.00 C ATOM 1242 C ALA A 82 4.126 5.993 -7.766 1.00 0.00 C ATOM 1243 O ALA A 82 3.646 7.011 -8.264 1.00 0.00 O ATOM 1244 CB ALA A 82 2.505 5.456 -5.947 1.00 0.00 C ATOM 0 H ALA A 82 4.517 3.892 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 82 2.502 4.630 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.894 6.312 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.864 4.673 -5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.226 5.763 -5.189 1.00 0.00 H new ATOM 1250 N GLN A 83 5.439 5.717 -7.727 1.00 0.00 N ATOM 1251 CA GLN A 83 6.480 6.611 -8.217 1.00 0.00 C ATOM 1252 C GLN A 83 6.513 7.901 -7.404 1.00 0.00 C ATOM 1253 O GLN A 83 5.873 7.977 -6.340 1.00 0.00 O ATOM 1254 CB GLN A 83 6.323 6.882 -9.719 1.00 0.00 C ATOM 1255 CG GLN A 83 6.513 5.646 -10.581 1.00 0.00 C ATOM 1256 CD GLN A 83 6.268 5.924 -12.041 1.00 0.00 C ATOM 1257 OE1 GLN A 83 7.170 6.296 -12.773 1.00 0.00 O ATOM 1258 NE2 GLN A 83 5.051 5.740 -12.475 1.00 0.00 N ATOM 0 H GLN A 83 5.806 4.846 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 83 7.442 6.116 -8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.331 7.295 -9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.046 7.640 -10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.527 5.267 -10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.834 4.863 -10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.322 5.428 -11.833 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.829 5.908 -13.456 1.00 0.00 H new ATOM 1267 N SER A 84 7.288 8.889 -7.878 1.00 0.00 N ATOM 1268 CA SER A 84 7.450 10.157 -7.187 1.00 0.00 C ATOM 1269 C SER A 84 8.079 9.861 -5.809 1.00 0.00 C ATOM 1270 O SER A 84 8.847 8.898 -5.672 1.00 0.00 O ATOM 1271 CB SER A 84 6.063 10.871 -7.077 1.00 0.00 C ATOM 1272 OG SER A 84 6.166 12.189 -6.536 1.00 0.00 O ATOM 0 H SER A 84 7.814 8.822 -8.749 1.00 0.00 H new ATOM 0 HA SER A 84 8.109 10.834 -7.731 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.605 10.922 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.400 10.275 -6.449 1.00 0.00 H new ATOM 0 HG SER A 84 5.275 12.594 -6.489 1.00 0.00 H new ATOM 1278 N ARG A 85 7.803 10.673 -4.837 1.00 0.00 N ATOM 1279 CA ARG A 85 8.292 10.435 -3.501 1.00 0.00 C ATOM 1280 C ARG A 85 7.234 10.779 -2.475 1.00 0.00 C ATOM 1281 O ARG A 85 6.038 10.892 -2.823 1.00 0.00 O ATOM 1282 CB ARG A 85 9.590 11.186 -3.229 1.00 0.00 C ATOM 1283 CG ARG A 85 9.515 12.691 -3.345 1.00 0.00 C ATOM 1284 CD ARG A 85 10.820 13.307 -2.886 1.00 0.00 C ATOM 1285 NE ARG A 85 11.077 13.003 -1.477 1.00 0.00 N ATOM 1286 CZ ARG A 85 12.115 13.416 -0.742 1.00 0.00 C ATOM 1287 NH1 ARG A 85 13.100 14.134 -1.267 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 12.185 13.081 0.521 1.00 0.00 N ATOM 0 H ARG A 85 7.237 11.516 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 85 8.516 9.372 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.930 10.934 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.349 10.824 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.311 12.976 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.691 13.071 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.639 12.930 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.786 14.387 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 85 10.391 12.413 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.078 14.385 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.879 14.435 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.451 12.509 0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.974 13.392 1.088 1.00 0.00 H new TER 1302 ARG A 85