USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 421 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 Single : A 9 THR OG1 : rot 31:sc= 0.538 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -169:sc= 0.0933 USER MOD Single : A 18 SER OG : rot -107:sc= -1.4! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 25 SER OG : rot 180:sc= 0.206 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.345 K(o=-0.35,f=-6.4!) USER MOD Single : A 36 ASN : amide:sc= -1.55 K(o=-1.5,f=-3!) USER MOD Single : A 37 ASN : amide:sc= -2.97! C(o=-3!,f=-9.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -6.81! C(o=-9.6!,f=-6.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 90:sc= -0.71 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -51:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 16.081 13.923 -3.485 1.00 0.00 N ATOM 2 CA THR A 9 15.101 13.936 -2.363 1.00 0.00 C ATOM 3 C THR A 9 13.957 12.968 -2.673 1.00 0.00 C ATOM 4 O THR A 9 12.802 13.343 -2.689 1.00 0.00 O ATOM 5 CB THR A 9 14.541 15.350 -2.190 1.00 0.00 C ATOM 6 OG1 THR A 9 15.576 16.298 -2.412 1.00 0.00 O ATOM 7 CG2 THR A 9 13.992 15.513 -0.772 1.00 0.00 C ATOM 0 HA THR A 9 15.598 13.628 -1.443 1.00 0.00 H new ATOM 0 HB THR A 9 13.738 15.514 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.217 15.937 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.593 16.520 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.198 14.786 -0.603 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.793 15.350 -0.051 1.00 0.00 H new ATOM 14 N PHE A 10 14.270 11.725 -2.920 1.00 0.00 N ATOM 15 CA PHE A 10 13.201 10.734 -3.229 1.00 0.00 C ATOM 16 C PHE A 10 12.887 9.919 -1.972 1.00 0.00 C ATOM 17 O PHE A 10 13.457 10.136 -0.921 1.00 0.00 O ATOM 18 CB PHE A 10 13.681 9.793 -4.336 1.00 0.00 C ATOM 19 CG PHE A 10 13.587 10.499 -5.692 1.00 0.00 C ATOM 20 CD1 PHE A 10 14.344 11.627 -5.948 1.00 0.00 C ATOM 21 CD2 PHE A 10 12.751 10.012 -6.681 1.00 0.00 C ATOM 22 CE1 PHE A 10 14.266 12.258 -7.173 1.00 0.00 C ATOM 23 CE2 PHE A 10 12.673 10.643 -7.905 1.00 0.00 C ATOM 24 CZ PHE A 10 13.431 11.766 -8.151 1.00 0.00 C ATOM 0 H PHE A 10 15.220 11.353 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 10 12.304 11.258 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.710 9.487 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.075 8.887 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.001 12.017 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.155 9.131 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.861 13.139 -7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.017 10.256 -8.671 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.371 12.260 -9.109 1.00 0.00 H new ATOM 34 N VAL A 11 11.985 8.982 -2.073 1.00 0.00 N ATOM 35 CA VAL A 11 11.633 8.152 -0.886 1.00 0.00 C ATOM 36 C VAL A 11 11.554 6.683 -1.309 1.00 0.00 C ATOM 37 O VAL A 11 11.153 6.367 -2.411 1.00 0.00 O ATOM 38 CB VAL A 11 10.278 8.596 -0.325 1.00 0.00 C ATOM 39 CG1 VAL A 11 10.240 8.335 1.182 1.00 0.00 C ATOM 40 CG2 VAL A 11 10.078 10.091 -0.587 1.00 0.00 C ATOM 0 H VAL A 11 11.476 8.755 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 11 12.395 8.275 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 11 9.483 8.033 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.276 8.651 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.380 7.271 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.037 8.898 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.114 10.405 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.873 10.655 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.104 10.279 -1.660 1.00 0.00 H new ATOM 50 N ALA A 12 11.933 5.783 -0.444 1.00 0.00 N ATOM 51 CA ALA A 12 11.877 4.338 -0.806 1.00 0.00 C ATOM 52 C ALA A 12 10.435 3.839 -0.716 1.00 0.00 C ATOM 53 O ALA A 12 9.962 3.451 0.334 1.00 0.00 O ATOM 54 CB ALA A 12 12.757 3.534 0.154 1.00 0.00 C ATOM 0 H ALA A 12 12.278 5.984 0.495 1.00 0.00 H new ATOM 0 HA ALA A 12 12.240 4.209 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.715 2.478 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.787 3.885 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.397 3.666 1.174 1.00 0.00 H new ATOM 60 N LEU A 13 9.734 3.851 -1.814 1.00 0.00 N ATOM 61 CA LEU A 13 8.322 3.382 -1.813 1.00 0.00 C ATOM 62 C LEU A 13 8.231 1.994 -1.175 1.00 0.00 C ATOM 63 O LEU A 13 7.470 1.773 -0.254 1.00 0.00 O ATOM 64 CB LEU A 13 7.820 3.299 -3.255 1.00 0.00 C ATOM 65 CG LEU A 13 7.083 4.586 -3.620 1.00 0.00 C ATOM 66 CD1 LEU A 13 6.491 4.444 -5.022 1.00 0.00 C ATOM 67 CD2 LEU A 13 5.959 4.833 -2.612 1.00 0.00 C ATOM 0 H LEU A 13 10.082 4.168 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 13 7.713 4.083 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.659 3.144 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.155 2.443 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 13 7.777 5.426 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.963 5.360 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.292 4.265 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.795 3.606 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.433 5.751 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.261 3.996 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.382 4.928 -1.612 1.00 0.00 H new ATOM 79 N TYR A 14 9.001 1.058 -1.656 1.00 0.00 N ATOM 80 CA TYR A 14 8.954 -0.314 -1.076 1.00 0.00 C ATOM 81 C TYR A 14 10.326 -0.708 -0.532 1.00 0.00 C ATOM 82 O TYR A 14 11.312 -0.033 -0.751 1.00 0.00 O ATOM 83 CB TYR A 14 8.555 -1.303 -2.168 1.00 0.00 C ATOM 84 CG TYR A 14 7.194 -0.907 -2.732 1.00 0.00 C ATOM 85 CD1 TYR A 14 7.099 0.051 -3.717 1.00 0.00 C ATOM 86 CD2 TYR A 14 6.043 -1.503 -2.263 1.00 0.00 C ATOM 87 CE1 TYR A 14 5.869 0.411 -4.228 1.00 0.00 C ATOM 88 CE2 TYR A 14 4.812 -1.145 -2.773 1.00 0.00 C ATOM 89 CZ TYR A 14 4.715 -0.185 -3.760 1.00 0.00 C ATOM 90 OH TYR A 14 3.484 0.174 -4.271 1.00 0.00 O ATOM 0 H TYR A 14 9.660 1.183 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 14 8.228 -0.330 -0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.303 -1.308 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.513 -2.314 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.994 0.524 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.105 -2.256 -1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.809 1.164 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.918 -1.619 -2.397 1.00 0.00 H new ATOM 0 HH TYR A 14 2.782 -0.346 -3.828 1.00 0.00 H new ATOM 100 N ASP A 15 10.391 -1.800 0.180 1.00 0.00 N ATOM 101 CA ASP A 15 11.692 -2.250 0.742 1.00 0.00 C ATOM 102 C ASP A 15 12.421 -3.094 -0.306 1.00 0.00 C ATOM 103 O ASP A 15 12.637 -4.274 -0.117 1.00 0.00 O ATOM 104 CB ASP A 15 11.445 -3.092 1.996 1.00 0.00 C ATOM 105 CG ASP A 15 10.477 -2.353 2.921 1.00 0.00 C ATOM 106 OD1 ASP A 15 10.018 -1.289 2.539 1.00 0.00 O ATOM 107 OD2 ASP A 15 10.209 -2.864 3.996 1.00 0.00 O ATOM 0 H ASP A 15 9.595 -2.400 0.396 1.00 0.00 H new ATOM 0 HA ASP A 15 12.299 -1.384 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.033 -4.063 1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.386 -3.281 2.512 1.00 0.00 H new ATOM 112 N TYR A 16 12.776 -2.489 -1.415 1.00 0.00 N ATOM 113 CA TYR A 16 13.495 -3.218 -2.510 1.00 0.00 C ATOM 114 C TYR A 16 14.318 -4.380 -1.945 1.00 0.00 C ATOM 115 O TYR A 16 15.192 -4.196 -1.121 1.00 0.00 O ATOM 116 CB TYR A 16 14.433 -2.242 -3.224 1.00 0.00 C ATOM 117 CG TYR A 16 15.301 -3.004 -4.227 1.00 0.00 C ATOM 118 CD1 TYR A 16 14.825 -4.142 -4.844 1.00 0.00 C ATOM 119 CD2 TYR A 16 16.572 -2.560 -4.530 1.00 0.00 C ATOM 120 CE1 TYR A 16 15.608 -4.826 -5.752 1.00 0.00 C ATOM 121 CE2 TYR A 16 17.355 -3.244 -5.436 1.00 0.00 C ATOM 122 CZ TYR A 16 16.879 -4.382 -6.055 1.00 0.00 C ATOM 123 OH TYR A 16 17.662 -5.067 -6.962 1.00 0.00 O ATOM 0 H TYR A 16 12.595 -1.505 -1.611 1.00 0.00 H new ATOM 0 HA TYR A 16 12.758 -3.620 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.853 -1.475 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.064 -1.731 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.832 -4.501 -4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 16 16.956 -1.670 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.223 -5.715 -6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.348 -2.886 -5.663 1.00 0.00 H new ATOM 0 HH TYR A 16 18.580 -4.725 -6.926 1.00 0.00 H new ATOM 133 N GLU A 17 14.041 -5.579 -2.385 1.00 0.00 N ATOM 134 CA GLU A 17 14.801 -6.757 -1.879 1.00 0.00 C ATOM 135 C GLU A 17 15.816 -7.199 -2.936 1.00 0.00 C ATOM 136 O GLU A 17 15.598 -8.152 -3.658 1.00 0.00 O ATOM 137 CB GLU A 17 13.833 -7.910 -1.597 1.00 0.00 C ATOM 138 CG GLU A 17 12.608 -7.382 -0.847 1.00 0.00 C ATOM 139 CD GLU A 17 11.339 -7.966 -1.471 1.00 0.00 C ATOM 140 OE1 GLU A 17 11.213 -9.180 -1.485 1.00 0.00 O ATOM 141 OE2 GLU A 17 10.514 -7.190 -1.924 1.00 0.00 O ATOM 0 H GLU A 17 13.320 -5.793 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 17 15.321 -6.484 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.525 -8.377 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.330 -8.679 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.667 -7.655 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.581 -6.293 -0.893 1.00 0.00 H new ATOM 148 N SER A 18 16.923 -6.516 -3.035 1.00 0.00 N ATOM 149 CA SER A 18 17.946 -6.903 -4.048 1.00 0.00 C ATOM 150 C SER A 18 18.570 -8.243 -3.654 1.00 0.00 C ATOM 151 O SER A 18 18.598 -8.610 -2.496 1.00 0.00 O ATOM 152 CB SER A 18 19.038 -5.834 -4.110 1.00 0.00 C ATOM 153 OG SER A 18 20.221 -6.398 -4.657 1.00 0.00 O ATOM 0 H SER A 18 17.163 -5.709 -2.460 1.00 0.00 H new ATOM 0 HA SER A 18 17.471 -6.993 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 18 18.706 -4.995 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.236 -5.443 -3.112 1.00 0.00 H new ATOM 0 HG SER A 18 20.885 -6.517 -3.946 1.00 0.00 H new ATOM 159 N ARG A 19 19.072 -8.977 -4.609 1.00 0.00 N ATOM 160 CA ARG A 19 19.693 -10.292 -4.289 1.00 0.00 C ATOM 161 C ARG A 19 21.214 -10.174 -4.397 1.00 0.00 C ATOM 162 O ARG A 19 21.951 -10.850 -3.708 1.00 0.00 O ATOM 163 CB ARG A 19 19.191 -11.348 -5.275 1.00 0.00 C ATOM 164 CG ARG A 19 18.077 -12.167 -4.621 1.00 0.00 C ATOM 165 CD ARG A 19 17.946 -13.512 -5.338 1.00 0.00 C ATOM 166 NE ARG A 19 18.951 -14.467 -4.792 1.00 0.00 N ATOM 167 CZ ARG A 19 19.230 -15.563 -5.441 1.00 0.00 C ATOM 168 NH1 ARG A 19 18.284 -16.421 -5.710 1.00 0.00 N ATOM 169 NH2 ARG A 19 20.455 -15.802 -5.822 1.00 0.00 N ATOM 0 H ARG A 19 19.079 -8.722 -5.597 1.00 0.00 H new ATOM 0 HA ARG A 19 19.421 -10.586 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.820 -10.868 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.011 -12.002 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.299 -12.325 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.134 -11.623 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.940 -13.911 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.098 -13.381 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 19 19.421 -14.263 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.326 -16.234 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.502 -17.278 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 19 21.194 -15.131 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.673 -16.659 -6.330 1.00 0.00 H new ATOM 183 N THR A 20 21.688 -9.318 -5.260 1.00 0.00 N ATOM 184 CA THR A 20 23.161 -9.153 -5.415 1.00 0.00 C ATOM 185 C THR A 20 23.662 -8.104 -4.420 1.00 0.00 C ATOM 186 O THR A 20 22.904 -7.297 -3.921 1.00 0.00 O ATOM 187 CB THR A 20 23.477 -8.695 -6.841 1.00 0.00 C ATOM 188 OG1 THR A 20 22.596 -7.640 -7.203 1.00 0.00 O ATOM 189 CG2 THR A 20 23.297 -9.867 -7.807 1.00 0.00 C ATOM 0 H THR A 20 21.119 -8.726 -5.865 1.00 0.00 H new ATOM 0 HA THR A 20 23.656 -10.105 -5.222 1.00 0.00 H new ATOM 0 HB THR A 20 24.507 -8.342 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 20 22.798 -7.344 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 20 23.522 -9.540 -8.822 1.00 0.00 H new ATOM 0 HG22 THR A 20 23.973 -10.676 -7.528 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.268 -10.222 -7.760 1.00 0.00 H new ATOM 197 N GLU A 21 24.934 -8.108 -4.127 1.00 0.00 N ATOM 198 CA GLU A 21 25.481 -7.115 -3.168 1.00 0.00 C ATOM 199 C GLU A 21 25.575 -5.745 -3.844 1.00 0.00 C ATOM 200 O GLU A 21 25.528 -4.718 -3.196 1.00 0.00 O ATOM 201 CB GLU A 21 26.873 -7.564 -2.728 1.00 0.00 C ATOM 202 CG GLU A 21 27.778 -7.700 -3.955 1.00 0.00 C ATOM 203 CD GLU A 21 28.475 -9.062 -3.926 1.00 0.00 C ATOM 204 OE1 GLU A 21 28.368 -9.740 -2.918 1.00 0.00 O ATOM 205 OE2 GLU A 21 29.105 -9.403 -4.914 1.00 0.00 O ATOM 0 H GLU A 21 25.617 -8.759 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 21 24.825 -7.042 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 21 27.296 -6.842 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 21 26.810 -8.517 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 21 27.190 -7.600 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.519 -6.900 -3.964 1.00 0.00 H new ATOM 212 N THR A 22 25.710 -5.720 -5.142 1.00 0.00 N ATOM 213 CA THR A 22 25.806 -4.416 -5.856 1.00 0.00 C ATOM 214 C THR A 22 24.616 -3.536 -5.472 1.00 0.00 C ATOM 215 O THR A 22 24.755 -2.570 -4.748 1.00 0.00 O ATOM 216 CB THR A 22 25.800 -4.658 -7.367 1.00 0.00 C ATOM 217 OG1 THR A 22 26.609 -5.787 -7.667 1.00 0.00 O ATOM 218 CG2 THR A 22 26.353 -3.426 -8.086 1.00 0.00 C ATOM 0 H THR A 22 25.758 -6.546 -5.738 1.00 0.00 H new ATOM 0 HA THR A 22 26.732 -3.915 -5.575 1.00 0.00 H new ATOM 0 HB THR A 22 24.779 -4.842 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.605 -5.945 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.348 -3.600 -9.162 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.732 -2.561 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.374 -3.238 -7.753 1.00 0.00 H new ATOM 226 N ASP A 23 23.444 -3.859 -5.949 1.00 0.00 N ATOM 227 CA ASP A 23 22.252 -3.034 -5.605 1.00 0.00 C ATOM 228 C ASP A 23 22.154 -2.902 -4.084 1.00 0.00 C ATOM 229 O ASP A 23 22.147 -3.882 -3.365 1.00 0.00 O ATOM 230 CB ASP A 23 20.987 -3.709 -6.143 1.00 0.00 C ATOM 231 CG ASP A 23 21.266 -4.283 -7.534 1.00 0.00 C ATOM 232 OD1 ASP A 23 22.224 -3.847 -8.152 1.00 0.00 O ATOM 233 OD2 ASP A 23 20.518 -5.148 -7.958 1.00 0.00 O ATOM 0 H ASP A 23 23.261 -4.655 -6.560 1.00 0.00 H new ATOM 0 HA ASP A 23 22.350 -2.045 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.671 -4.503 -5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.171 -2.988 -6.192 1.00 0.00 H new ATOM 238 N LEU A 24 22.079 -1.699 -3.588 1.00 0.00 N ATOM 239 CA LEU A 24 21.982 -1.504 -2.114 1.00 0.00 C ATOM 240 C LEU A 24 20.523 -1.628 -1.673 1.00 0.00 C ATOM 241 O LEU A 24 19.685 -0.824 -2.031 1.00 0.00 O ATOM 242 CB LEU A 24 22.509 -0.114 -1.750 1.00 0.00 C ATOM 243 CG LEU A 24 24.012 -0.050 -2.030 1.00 0.00 C ATOM 244 CD1 LEU A 24 24.488 1.401 -1.944 1.00 0.00 C ATOM 245 CD2 LEU A 24 24.759 -0.894 -0.996 1.00 0.00 C ATOM 0 H LEU A 24 22.081 -0.841 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 24 22.577 -2.265 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.987 0.648 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.315 0.097 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 24 24.211 -0.438 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.559 1.445 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 24 23.956 2.003 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.289 1.791 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.830 -0.849 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.559 -0.507 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.422 -1.929 -1.058 1.00 0.00 H new ATOM 257 N SER A 25 20.212 -2.631 -0.898 1.00 0.00 N ATOM 258 CA SER A 25 18.807 -2.805 -0.435 1.00 0.00 C ATOM 259 C SER A 25 18.457 -1.689 0.550 1.00 0.00 C ATOM 260 O SER A 25 19.122 -1.498 1.548 1.00 0.00 O ATOM 261 CB SER A 25 18.661 -4.160 0.260 1.00 0.00 C ATOM 262 OG SER A 25 18.218 -5.131 -0.678 1.00 0.00 O ATOM 0 H SER A 25 20.870 -3.336 -0.566 1.00 0.00 H new ATOM 0 HA SER A 25 18.134 -2.763 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.615 -4.464 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.950 -4.083 1.083 1.00 0.00 H new ATOM 0 HG SER A 25 18.126 -5.999 -0.232 1.00 0.00 H new ATOM 268 N PHE A 26 17.416 -0.951 0.278 1.00 0.00 N ATOM 269 CA PHE A 26 17.026 0.151 1.201 1.00 0.00 C ATOM 270 C PHE A 26 15.716 -0.210 1.902 1.00 0.00 C ATOM 271 O PHE A 26 15.165 -1.274 1.699 1.00 0.00 O ATOM 272 CB PHE A 26 16.842 1.445 0.405 1.00 0.00 C ATOM 273 CG PHE A 26 16.023 1.159 -0.855 1.00 0.00 C ATOM 274 CD1 PHE A 26 14.641 1.167 -0.808 1.00 0.00 C ATOM 275 CD2 PHE A 26 16.654 0.894 -2.057 1.00 0.00 C ATOM 276 CE1 PHE A 26 13.901 0.915 -1.946 1.00 0.00 C ATOM 277 CE2 PHE A 26 15.914 0.642 -3.194 1.00 0.00 C ATOM 278 CZ PHE A 26 14.538 0.652 -3.139 1.00 0.00 C ATOM 0 H PHE A 26 16.820 -1.063 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 26 17.808 0.294 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 26 16.337 2.192 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.813 1.858 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.137 1.372 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.733 0.884 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.822 0.924 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.415 0.437 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.959 0.454 -4.029 1.00 0.00 H new ATOM 288 N LYS A 27 15.212 0.668 2.724 1.00 0.00 N ATOM 289 CA LYS A 27 13.937 0.374 3.437 1.00 0.00 C ATOM 290 C LYS A 27 12.952 1.522 3.213 1.00 0.00 C ATOM 291 O LYS A 27 13.338 2.638 2.930 1.00 0.00 O ATOM 292 CB LYS A 27 14.214 0.224 4.935 1.00 0.00 C ATOM 293 CG LYS A 27 13.025 -0.466 5.609 1.00 0.00 C ATOM 294 CD LYS A 27 12.294 0.536 6.506 1.00 0.00 C ATOM 295 CE LYS A 27 12.372 0.070 7.962 1.00 0.00 C ATOM 296 NZ LYS A 27 11.277 0.708 8.747 1.00 0.00 N ATOM 0 H LYS A 27 15.627 1.576 2.933 1.00 0.00 H new ATOM 0 HA LYS A 27 13.510 -0.552 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.122 -0.359 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.382 1.203 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.344 -0.859 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.370 -1.314 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.742 1.525 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.253 0.625 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.286 -1.015 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.340 0.333 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.329 0.392 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.379 1.742 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.357 0.436 8.345 1.00 0.00 H new ATOM 310 N LYS A 28 11.681 1.256 3.334 1.00 0.00 N ATOM 311 CA LYS A 28 10.671 2.330 3.129 1.00 0.00 C ATOM 312 C LYS A 28 10.877 3.425 4.181 1.00 0.00 C ATOM 313 O LYS A 28 10.454 3.300 5.313 1.00 0.00 O ATOM 314 CB LYS A 28 9.264 1.731 3.260 1.00 0.00 C ATOM 315 CG LYS A 28 8.242 2.840 3.530 1.00 0.00 C ATOM 316 CD LYS A 28 7.747 2.734 4.975 1.00 0.00 C ATOM 317 CE LYS A 28 6.631 1.691 5.057 1.00 0.00 C ATOM 318 NZ LYS A 28 7.022 0.622 6.019 1.00 0.00 N ATOM 0 H LYS A 28 11.298 0.340 3.566 1.00 0.00 H new ATOM 0 HA LYS A 28 10.784 2.764 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.001 1.198 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.245 1.003 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.695 3.817 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.403 2.753 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.570 2.454 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.381 3.702 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.701 2.161 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.448 1.260 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.264 -0.088 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.899 0.167 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.176 1.040 6.959 1.00 0.00 H new ATOM 332 N GLY A 29 11.527 4.497 3.816 1.00 0.00 N ATOM 333 CA GLY A 29 11.760 5.598 4.795 1.00 0.00 C ATOM 334 C GLY A 29 13.263 5.833 4.957 1.00 0.00 C ATOM 335 O GLY A 29 13.696 6.557 5.832 1.00 0.00 O ATOM 0 H GLY A 29 11.907 4.658 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.274 6.511 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.316 5.342 5.757 1.00 0.00 H new ATOM 339 N GLU A 30 14.063 5.228 4.123 1.00 0.00 N ATOM 340 CA GLU A 30 15.538 5.419 4.232 1.00 0.00 C ATOM 341 C GLU A 30 15.967 6.610 3.371 1.00 0.00 C ATOM 342 O GLU A 30 15.238 7.061 2.510 1.00 0.00 O ATOM 343 CB GLU A 30 16.253 4.155 3.747 1.00 0.00 C ATOM 344 CG GLU A 30 17.441 3.857 4.663 1.00 0.00 C ATOM 345 CD GLU A 30 18.651 3.460 3.815 1.00 0.00 C ATOM 346 OE1 GLU A 30 18.453 3.113 2.662 1.00 0.00 O ATOM 347 OE2 GLU A 30 19.755 3.509 4.332 1.00 0.00 O ATOM 0 H GLU A 30 13.760 4.610 3.371 1.00 0.00 H new ATOM 0 HA GLU A 30 15.802 5.611 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.562 3.312 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.596 4.289 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.678 4.733 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.188 3.053 5.354 1.00 0.00 H new ATOM 354 N ARG A 31 17.146 7.123 3.598 1.00 0.00 N ATOM 355 CA ARG A 31 17.621 8.284 2.793 1.00 0.00 C ATOM 356 C ARG A 31 18.347 7.772 1.547 1.00 0.00 C ATOM 357 O ARG A 31 19.171 6.882 1.620 1.00 0.00 O ATOM 358 CB ARG A 31 18.583 9.128 3.632 1.00 0.00 C ATOM 359 CG ARG A 31 17.949 10.491 3.920 1.00 0.00 C ATOM 360 CD ARG A 31 18.960 11.598 3.615 1.00 0.00 C ATOM 361 NE ARG A 31 19.879 11.767 4.776 1.00 0.00 N ATOM 362 CZ ARG A 31 20.795 10.871 5.019 1.00 0.00 C ATOM 363 NH1 ARG A 31 21.413 10.282 4.031 1.00 0.00 N ATOM 364 NH2 ARG A 31 21.096 10.562 6.252 1.00 0.00 N ATOM 0 H ARG A 31 17.800 6.788 4.306 1.00 0.00 H new ATOM 0 HA ARG A 31 16.769 8.895 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.811 8.617 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 31 19.526 9.259 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 31 17.054 10.624 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.637 10.546 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 31 19.530 11.348 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.440 12.534 3.410 1.00 0.00 H new ATOM 0 HE ARG A 31 19.792 12.584 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.180 10.522 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 31 22.129 9.581 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.615 11.021 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.812 9.861 6.442 1.00 0.00 H new ATOM 378 N LEU A 32 18.051 8.327 0.403 1.00 0.00 N ATOM 379 CA LEU A 32 18.728 7.866 -0.842 1.00 0.00 C ATOM 380 C LEU A 32 18.884 9.042 -1.809 1.00 0.00 C ATOM 381 O LEU A 32 17.915 9.620 -2.259 1.00 0.00 O ATOM 382 CB LEU A 32 17.886 6.773 -1.504 1.00 0.00 C ATOM 383 CG LEU A 32 18.157 5.433 -0.817 1.00 0.00 C ATOM 384 CD1 LEU A 32 16.846 4.867 -0.266 1.00 0.00 C ATOM 385 CD2 LEU A 32 18.749 4.451 -1.830 1.00 0.00 C ATOM 0 H LEU A 32 17.372 9.077 0.277 1.00 0.00 H new ATOM 0 HA LEU A 32 19.712 7.470 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.827 7.022 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.128 6.705 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 32 18.862 5.581 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.039 3.912 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.423 5.566 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.141 4.719 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.942 3.496 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.044 4.304 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.683 4.853 -2.223 1.00 0.00 H new ATOM 397 N GLN A 33 20.096 9.400 -2.132 1.00 0.00 N ATOM 398 CA GLN A 33 20.312 10.538 -3.071 1.00 0.00 C ATOM 399 C GLN A 33 20.184 10.031 -4.509 1.00 0.00 C ATOM 400 O GLN A 33 21.163 9.717 -5.157 1.00 0.00 O ATOM 401 CB GLN A 33 21.709 11.123 -2.855 1.00 0.00 C ATOM 402 CG GLN A 33 21.591 12.608 -2.508 1.00 0.00 C ATOM 403 CD GLN A 33 21.363 13.415 -3.787 1.00 0.00 C ATOM 404 OE1 GLN A 33 20.854 12.899 -4.762 1.00 0.00 O ATOM 405 NE2 GLN A 33 21.719 14.670 -3.824 1.00 0.00 N ATOM 0 H GLN A 33 20.946 8.954 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 33 19.567 11.313 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.218 10.590 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.312 10.995 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.765 12.766 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.497 12.948 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.146 15.103 -3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 33 21.570 15.218 -4.671 1.00 0.00 H new ATOM 414 N ILE A 34 18.983 9.949 -5.011 1.00 0.00 N ATOM 415 CA ILE A 34 18.785 9.463 -6.406 1.00 0.00 C ATOM 416 C ILE A 34 19.822 10.099 -7.335 1.00 0.00 C ATOM 417 O ILE A 34 20.193 11.246 -7.182 1.00 0.00 O ATOM 418 CB ILE A 34 17.379 9.837 -6.881 1.00 0.00 C ATOM 419 CG1 ILE A 34 16.351 8.949 -6.179 1.00 0.00 C ATOM 420 CG2 ILE A 34 17.276 9.630 -8.394 1.00 0.00 C ATOM 421 CD1 ILE A 34 16.621 7.484 -6.527 1.00 0.00 C ATOM 0 H ILE A 34 18.128 10.198 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 34 18.904 8.380 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 34 17.184 10.883 -6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.406 9.094 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.343 9.227 -6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.274 9.897 -8.730 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.008 10.261 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.472 8.585 -8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.889 6.850 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.544 7.346 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.623 7.210 -6.197 1.00 0.00 H new ATOM 433 N VAL A 35 20.290 9.354 -8.300 1.00 0.00 N ATOM 434 CA VAL A 35 21.301 9.896 -9.249 1.00 0.00 C ATOM 435 C VAL A 35 20.618 10.170 -10.589 1.00 0.00 C ATOM 436 O VAL A 35 20.103 11.244 -10.827 1.00 0.00 O ATOM 437 CB VAL A 35 22.420 8.868 -9.441 1.00 0.00 C ATOM 438 CG1 VAL A 35 23.386 9.357 -10.523 1.00 0.00 C ATOM 439 CG2 VAL A 35 23.179 8.692 -8.124 1.00 0.00 C ATOM 0 H VAL A 35 20.013 8.387 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 35 21.727 10.819 -8.856 1.00 0.00 H new ATOM 0 HB VAL A 35 21.988 7.914 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.182 8.624 -10.658 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.847 9.485 -11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.819 10.311 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.976 7.961 -8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.610 9.647 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.493 8.343 -7.352 1.00 0.00 H new ATOM 449 N ASN A 36 20.609 9.205 -11.467 1.00 0.00 N ATOM 450 CA ASN A 36 19.959 9.405 -12.790 1.00 0.00 C ATOM 451 C ASN A 36 18.494 8.979 -12.681 1.00 0.00 C ATOM 452 O ASN A 36 18.035 8.581 -11.628 1.00 0.00 O ATOM 453 CB ASN A 36 20.661 8.549 -13.853 1.00 0.00 C ATOM 454 CG ASN A 36 22.044 8.116 -13.358 1.00 0.00 C ATOM 455 OD1 ASN A 36 22.164 7.174 -12.601 1.00 0.00 O ATOM 456 ND2 ASN A 36 23.100 8.769 -13.758 1.00 0.00 N ATOM 0 H ASN A 36 21.025 8.285 -11.323 1.00 0.00 H new ATOM 0 HA ASN A 36 20.028 10.454 -13.080 1.00 0.00 H new ATOM 0 HB2 ASN A 36 20.057 7.671 -14.079 1.00 0.00 H new ATOM 0 HB3 ASN A 36 20.760 9.115 -14.779 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.026 8.488 -13.435 1.00 0.00 H new ATOM 0 HD22 ASN A 36 23.000 9.560 -14.394 1.00 0.00 H new ATOM 463 N ASN A 37 17.752 9.057 -13.749 1.00 0.00 N ATOM 464 CA ASN A 37 16.321 8.650 -13.677 1.00 0.00 C ATOM 465 C ASN A 37 15.605 9.017 -14.977 1.00 0.00 C ATOM 466 O ASN A 37 14.998 10.064 -15.087 1.00 0.00 O ATOM 467 CB ASN A 37 15.646 9.365 -12.505 1.00 0.00 C ATOM 468 CG ASN A 37 16.050 10.841 -12.506 1.00 0.00 C ATOM 469 OD1 ASN A 37 17.201 11.168 -12.297 1.00 0.00 O ATOM 470 ND2 ASN A 37 15.144 11.752 -12.733 1.00 0.00 N ATOM 0 H ASN A 37 18.070 9.382 -14.662 1.00 0.00 H new ATOM 0 HA ASN A 37 16.265 7.571 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.563 9.274 -12.585 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.937 8.898 -11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.402 12.739 -12.735 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.177 11.477 -12.909 1.00 0.00 H new ATOM 477 N THR A 38 15.672 8.166 -15.963 1.00 0.00 N ATOM 478 CA THR A 38 14.993 8.473 -17.252 1.00 0.00 C ATOM 479 C THR A 38 13.563 7.916 -17.208 1.00 0.00 C ATOM 480 O THR A 38 12.690 8.491 -16.589 1.00 0.00 O ATOM 481 CB THR A 38 15.780 7.854 -18.414 1.00 0.00 C ATOM 482 OG1 THR A 38 14.936 7.742 -19.552 1.00 0.00 O ATOM 483 CG2 THR A 38 16.297 6.470 -18.015 1.00 0.00 C ATOM 0 H THR A 38 16.166 7.274 -15.932 1.00 0.00 H new ATOM 0 HA THR A 38 14.951 9.552 -17.404 1.00 0.00 H new ATOM 0 HB THR A 38 16.629 8.494 -18.654 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.439 7.348 -20.295 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.855 6.037 -18.845 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.950 6.562 -17.147 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.454 5.824 -17.768 1.00 0.00 H new ATOM 491 N GLU A 39 13.308 6.808 -17.852 1.00 0.00 N ATOM 492 CA GLU A 39 11.933 6.240 -17.829 1.00 0.00 C ATOM 493 C GLU A 39 11.814 5.275 -16.648 1.00 0.00 C ATOM 494 O GLU A 39 12.788 4.691 -16.216 1.00 0.00 O ATOM 495 CB GLU A 39 11.669 5.489 -19.136 1.00 0.00 C ATOM 496 CG GLU A 39 11.066 6.450 -20.163 1.00 0.00 C ATOM 497 CD GLU A 39 9.979 5.729 -20.962 1.00 0.00 C ATOM 498 OE1 GLU A 39 10.329 4.988 -21.866 1.00 0.00 O ATOM 499 OE2 GLU A 39 8.815 5.929 -20.656 1.00 0.00 O ATOM 0 H GLU A 39 13.991 6.275 -18.390 1.00 0.00 H new ATOM 0 HA GLU A 39 11.202 7.042 -17.723 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.598 5.066 -19.519 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.989 4.656 -18.958 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.645 7.320 -19.659 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.843 6.816 -20.834 1.00 0.00 H new ATOM 506 N GLY A 40 10.634 5.104 -16.117 1.00 0.00 N ATOM 507 CA GLY A 40 10.467 4.174 -14.964 1.00 0.00 C ATOM 508 C GLY A 40 11.248 2.887 -15.240 1.00 0.00 C ATOM 509 O GLY A 40 10.769 1.989 -15.904 1.00 0.00 O ATOM 0 H GLY A 40 9.781 5.567 -16.431 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.827 4.643 -14.048 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.411 3.948 -14.813 1.00 0.00 H new ATOM 513 N ASP A 41 12.449 2.791 -14.736 1.00 0.00 N ATOM 514 CA ASP A 41 13.259 1.564 -14.971 1.00 0.00 C ATOM 515 C ASP A 41 14.074 1.236 -13.712 1.00 0.00 C ATOM 516 O ASP A 41 13.530 0.851 -12.696 1.00 0.00 O ATOM 517 CB ASP A 41 14.204 1.811 -16.147 1.00 0.00 C ATOM 518 CG ASP A 41 13.390 2.174 -17.391 1.00 0.00 C ATOM 519 OD1 ASP A 41 12.578 1.361 -17.802 1.00 0.00 O ATOM 520 OD2 ASP A 41 13.593 3.259 -17.911 1.00 0.00 O ATOM 0 H ASP A 41 12.903 3.510 -14.172 1.00 0.00 H new ATOM 0 HA ASP A 41 12.601 0.725 -15.198 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.898 2.616 -15.906 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.803 0.921 -16.339 1.00 0.00 H new ATOM 525 N TRP A 42 15.373 1.381 -13.770 1.00 0.00 N ATOM 526 CA TRP A 42 16.215 1.080 -12.585 1.00 0.00 C ATOM 527 C TRP A 42 17.275 2.166 -12.460 1.00 0.00 C ATOM 528 O TRP A 42 18.389 2.021 -12.922 1.00 0.00 O ATOM 529 CB TRP A 42 16.887 -0.280 -12.764 1.00 0.00 C ATOM 530 CG TRP A 42 15.809 -1.358 -12.822 1.00 0.00 C ATOM 531 CD1 TRP A 42 14.912 -1.492 -13.811 1.00 0.00 C ATOM 532 CD2 TRP A 42 15.593 -2.274 -11.882 1.00 0.00 C ATOM 533 NE1 TRP A 42 14.160 -2.517 -13.416 1.00 0.00 N ATOM 534 CE2 TRP A 42 14.513 -3.066 -12.222 1.00 0.00 C ATOM 535 CE3 TRP A 42 16.273 -2.500 -10.703 1.00 0.00 C ATOM 536 CZ2 TRP A 42 14.115 -4.084 -11.378 1.00 0.00 C ATOM 537 CZ3 TRP A 42 15.876 -3.519 -9.861 1.00 0.00 C ATOM 538 CH2 TRP A 42 14.797 -4.310 -10.199 1.00 0.00 C ATOM 0 H TRP A 42 15.885 1.697 -14.594 1.00 0.00 H new ATOM 0 HA TRP A 42 15.601 1.052 -11.685 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.480 -0.290 -13.678 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.571 -0.475 -11.938 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.822 -0.907 -14.714 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.376 -2.865 -13.968 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.116 -1.879 -10.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.270 -4.703 -11.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.409 -3.697 -8.939 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.486 -5.107 -9.540 1.00 0.00 H new ATOM 549 N TRP A 43 16.935 3.254 -11.838 1.00 0.00 N ATOM 550 CA TRP A 43 17.916 4.353 -11.680 1.00 0.00 C ATOM 551 C TRP A 43 18.875 4.009 -10.540 1.00 0.00 C ATOM 552 O TRP A 43 18.555 3.234 -9.659 1.00 0.00 O ATOM 553 CB TRP A 43 17.169 5.646 -11.361 1.00 0.00 C ATOM 554 CG TRP A 43 15.874 5.717 -12.183 1.00 0.00 C ATOM 555 CD1 TRP A 43 15.710 5.229 -13.433 1.00 0.00 C ATOM 556 CD2 TRP A 43 14.761 6.336 -11.791 1.00 0.00 C ATOM 557 NE1 TRP A 43 14.467 5.600 -13.751 1.00 0.00 N ATOM 558 CE2 TRP A 43 13.806 6.290 -12.789 1.00 0.00 C ATOM 559 CE3 TRP A 43 14.475 6.963 -10.593 1.00 0.00 C ATOM 560 CZ2 TRP A 43 12.570 6.872 -12.591 1.00 0.00 C ATOM 561 CZ3 TRP A 43 13.238 7.544 -10.396 1.00 0.00 C ATOM 562 CH2 TRP A 43 12.286 7.498 -11.395 1.00 0.00 C ATOM 0 H TRP A 43 16.016 3.430 -11.431 1.00 0.00 H new ATOM 0 HA TRP A 43 18.485 4.483 -12.601 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.937 5.690 -10.297 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.800 6.506 -11.585 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.416 4.672 -14.032 1.00 0.00 H new ATOM 0 HE1 TRP A 43 14.045 5.380 -14.653 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.219 6.999 -9.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.825 6.837 -13.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.015 8.035 -9.460 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.319 7.952 -11.240 1.00 0.00 H new ATOM 573 N LEU A 44 20.050 4.576 -10.546 1.00 0.00 N ATOM 574 CA LEU A 44 21.025 4.276 -9.462 1.00 0.00 C ATOM 575 C LEU A 44 20.898 5.321 -8.356 1.00 0.00 C ATOM 576 O LEU A 44 20.509 6.444 -8.595 1.00 0.00 O ATOM 577 CB LEU A 44 22.442 4.309 -10.034 1.00 0.00 C ATOM 578 CG LEU A 44 23.444 3.909 -8.950 1.00 0.00 C ATOM 579 CD1 LEU A 44 23.507 2.385 -8.849 1.00 0.00 C ATOM 580 CD2 LEU A 44 24.824 4.450 -9.316 1.00 0.00 C ATOM 0 H LEU A 44 20.376 5.233 -11.254 1.00 0.00 H new ATOM 0 HA LEU A 44 20.819 3.288 -9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.518 3.629 -10.882 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.672 5.308 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 44 23.129 4.323 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.221 2.101 -8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 44 22.521 1.996 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 44 23.823 1.970 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.542 4.167 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.136 4.033 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.781 5.537 -9.390 1.00 0.00 H new ATOM 592 N ALA A 45 21.224 4.960 -7.147 1.00 0.00 N ATOM 593 CA ALA A 45 21.121 5.935 -6.029 1.00 0.00 C ATOM 594 C ALA A 45 22.436 5.949 -5.247 1.00 0.00 C ATOM 595 O ALA A 45 23.165 4.976 -5.218 1.00 0.00 O ATOM 596 CB ALA A 45 19.977 5.527 -5.099 1.00 0.00 C ATOM 0 H ALA A 45 21.557 4.032 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 45 20.924 6.930 -6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.902 6.242 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 45 19.041 5.515 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 45 20.172 4.533 -4.697 1.00 0.00 H new ATOM 602 N HIS A 46 22.745 7.046 -4.613 1.00 0.00 N ATOM 603 CA HIS A 46 24.011 7.130 -3.832 1.00 0.00 C ATOM 604 C HIS A 46 23.699 7.686 -2.439 1.00 0.00 C ATOM 605 O HIS A 46 23.055 8.706 -2.297 1.00 0.00 O ATOM 606 CB HIS A 46 24.994 8.049 -4.575 1.00 0.00 C ATOM 607 CG HIS A 46 25.988 8.686 -3.596 1.00 0.00 C ATOM 608 ND1 HIS A 46 25.768 9.579 -2.563 1.00 0.00 N flip ATOM 609 CD2 HIS A 46 27.240 8.488 -3.596 1.00 0.00 C flip ATOM 610 CE1 HIS A 46 26.935 9.884 -1.975 1.00 0.00 C flip ATOM 611 NE2 HIS A 46 27.804 9.168 -2.670 1.00 0.00 N flip ATOM 0 H HIS A 46 22.173 7.891 -4.602 1.00 0.00 H new ATOM 0 HA HIS A 46 24.462 6.144 -3.725 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.535 7.477 -5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.443 8.829 -5.101 1.00 0.00 H new ATOM 0 HD1 HIS A 46 24.858 9.949 -2.290 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.759 7.836 -4.283 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.119 10.548 -1.143 1.00 0.00 H new ATOM 619 N SER A 47 24.150 7.021 -1.410 1.00 0.00 N ATOM 620 CA SER A 47 23.880 7.512 -0.029 1.00 0.00 C ATOM 621 C SER A 47 24.840 8.654 0.307 1.00 0.00 C ATOM 622 O SER A 47 25.983 8.658 -0.105 1.00 0.00 O ATOM 623 CB SER A 47 24.082 6.367 0.966 1.00 0.00 C ATOM 624 OG SER A 47 22.921 5.550 0.990 1.00 0.00 O ATOM 0 H SER A 47 24.693 6.160 -1.466 1.00 0.00 H new ATOM 0 HA SER A 47 22.853 7.873 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.951 5.774 0.682 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.279 6.766 1.961 1.00 0.00 H new ATOM 0 HG SER A 47 23.051 4.816 1.626 1.00 0.00 H new ATOM 630 N LEU A 48 24.385 9.621 1.055 1.00 0.00 N ATOM 631 CA LEU A 48 25.271 10.763 1.417 1.00 0.00 C ATOM 632 C LEU A 48 26.055 10.418 2.685 1.00 0.00 C ATOM 633 O LEU A 48 26.053 11.160 3.647 1.00 0.00 O ATOM 634 CB LEU A 48 24.421 12.009 1.668 1.00 0.00 C ATOM 635 CG LEU A 48 23.830 12.499 0.345 1.00 0.00 C ATOM 636 CD1 LEU A 48 22.912 13.694 0.609 1.00 0.00 C ATOM 637 CD2 LEU A 48 24.962 12.922 -0.594 1.00 0.00 C ATOM 0 H LEU A 48 23.438 9.670 1.431 1.00 0.00 H new ATOM 0 HA LEU A 48 25.966 10.956 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.622 11.781 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.030 12.793 2.119 1.00 0.00 H new ATOM 0 HG LEU A 48 23.257 11.695 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 48 22.490 14.044 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 48 22.106 13.393 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.485 14.498 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.541 13.271 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.536 13.726 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.616 12.071 -0.782 1.00 0.00 H new ATOM 649 N THR A 49 26.724 9.298 2.696 1.00 0.00 N ATOM 650 CA THR A 49 27.505 8.910 3.903 1.00 0.00 C ATOM 651 C THR A 49 28.953 8.615 3.502 1.00 0.00 C ATOM 652 O THR A 49 29.798 9.488 3.506 1.00 0.00 O ATOM 653 CB THR A 49 26.885 7.660 4.532 1.00 0.00 C ATOM 654 OG1 THR A 49 25.604 7.984 5.057 1.00 0.00 O ATOM 655 CG2 THR A 49 27.787 7.153 5.658 1.00 0.00 C ATOM 0 H THR A 49 26.763 8.635 1.922 1.00 0.00 H new ATOM 0 HA THR A 49 27.487 9.727 4.625 1.00 0.00 H new ATOM 0 HB THR A 49 26.783 6.883 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 49 25.204 7.185 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 49 27.345 6.263 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 49 28.769 6.907 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 49 27.891 7.928 6.418 1.00 0.00 H new ATOM 663 N THR A 50 29.246 7.391 3.155 1.00 0.00 N ATOM 664 CA THR A 50 30.639 7.044 2.755 1.00 0.00 C ATOM 665 C THR A 50 30.804 7.265 1.250 1.00 0.00 C ATOM 666 O THR A 50 31.780 7.830 0.799 1.00 0.00 O ATOM 667 CB THR A 50 30.918 5.577 3.089 1.00 0.00 C ATOM 668 OG1 THR A 50 29.945 4.756 2.458 1.00 0.00 O ATOM 669 CG2 THR A 50 30.855 5.376 4.603 1.00 0.00 C ATOM 0 H THR A 50 28.582 6.617 3.131 1.00 0.00 H new ATOM 0 HA THR A 50 31.341 7.678 3.297 1.00 0.00 H new ATOM 0 HB THR A 50 31.911 5.304 2.730 1.00 0.00 H new ATOM 0 HG1 THR A 50 30.123 3.816 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 50 31.054 4.331 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 50 31.603 6.006 5.085 1.00 0.00 H new ATOM 0 HG23 THR A 50 29.864 5.648 4.965 1.00 0.00 H new ATOM 677 N GLY A 51 29.856 6.823 0.470 1.00 0.00 N ATOM 678 CA GLY A 51 29.959 7.008 -1.004 1.00 0.00 C ATOM 679 C GLY A 51 29.673 5.678 -1.704 1.00 0.00 C ATOM 680 O GLY A 51 30.319 5.322 -2.669 1.00 0.00 O ATOM 0 H GLY A 51 29.015 6.342 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 51 29.251 7.767 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 51 30.955 7.364 -1.268 1.00 0.00 H new ATOM 684 N GLN A 52 28.709 4.942 -1.224 1.00 0.00 N ATOM 685 CA GLN A 52 28.381 3.636 -1.861 1.00 0.00 C ATOM 686 C GLN A 52 27.335 3.847 -2.957 1.00 0.00 C ATOM 687 O GLN A 52 26.685 4.872 -3.022 1.00 0.00 O ATOM 688 CB GLN A 52 27.820 2.681 -0.805 1.00 0.00 C ATOM 689 CG GLN A 52 28.919 2.317 0.195 1.00 0.00 C ATOM 690 CD GLN A 52 28.283 1.705 1.445 1.00 0.00 C ATOM 691 OE1 GLN A 52 27.610 2.385 2.194 1.00 0.00 O ATOM 692 NE2 GLN A 52 28.468 0.439 1.703 1.00 0.00 N ATOM 0 H GLN A 52 28.134 5.189 -0.418 1.00 0.00 H new ATOM 0 HA GLN A 52 29.285 3.211 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.983 3.148 -0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 52 27.436 1.780 -1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 52 29.617 1.611 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 52 29.492 3.205 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.033 -0.132 1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 52 28.048 0.021 2.533 1.00 0.00 H new ATOM 701 N THR A 53 27.168 2.882 -3.819 1.00 0.00 N ATOM 702 CA THR A 53 26.165 3.018 -4.913 1.00 0.00 C ATOM 703 C THR A 53 25.177 1.851 -4.829 1.00 0.00 C ATOM 704 O THR A 53 25.470 0.822 -4.254 1.00 0.00 O ATOM 705 CB THR A 53 26.884 2.993 -6.268 1.00 0.00 C ATOM 706 OG1 THR A 53 27.486 4.258 -6.505 1.00 0.00 O ATOM 707 CG2 THR A 53 25.883 2.688 -7.386 1.00 0.00 C ATOM 0 H THR A 53 27.685 2.002 -3.813 1.00 0.00 H new ATOM 0 HA THR A 53 25.627 3.960 -4.811 1.00 0.00 H new ATOM 0 HB THR A 53 27.650 2.218 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.947 4.244 -7.369 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.402 2.672 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.422 1.717 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.112 3.458 -7.404 1.00 0.00 H new ATOM 715 N GLY A 54 24.010 1.997 -5.396 1.00 0.00 N ATOM 716 CA GLY A 54 23.018 0.886 -5.338 1.00 0.00 C ATOM 717 C GLY A 54 21.935 1.093 -6.401 1.00 0.00 C ATOM 718 O GLY A 54 21.205 2.064 -6.376 1.00 0.00 O ATOM 0 H GLY A 54 23.702 2.832 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.519 -0.068 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.564 0.845 -4.348 1.00 0.00 H new ATOM 722 N TYR A 55 21.824 0.185 -7.333 1.00 0.00 N ATOM 723 CA TYR A 55 20.794 0.323 -8.395 1.00 0.00 C ATOM 724 C TYR A 55 19.401 0.212 -7.770 1.00 0.00 C ATOM 725 O TYR A 55 18.931 -0.867 -7.468 1.00 0.00 O ATOM 726 CB TYR A 55 20.981 -0.797 -9.419 1.00 0.00 C ATOM 727 CG TYR A 55 22.318 -0.620 -10.144 1.00 0.00 C ATOM 728 CD1 TYR A 55 22.526 0.455 -10.985 1.00 0.00 C ATOM 729 CD2 TYR A 55 23.330 -1.544 -9.979 1.00 0.00 C ATOM 730 CE1 TYR A 55 23.726 0.602 -11.651 1.00 0.00 C ATOM 731 CE2 TYR A 55 24.529 -1.397 -10.644 1.00 0.00 C ATOM 732 CZ TYR A 55 24.737 -0.323 -11.485 1.00 0.00 C ATOM 733 OH TYR A 55 25.936 -0.177 -12.153 1.00 0.00 O ATOM 0 H TYR A 55 22.407 -0.649 -7.402 1.00 0.00 H new ATOM 0 HA TYR A 55 20.896 1.292 -8.884 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.953 -1.766 -8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.162 -0.785 -10.139 1.00 0.00 H new ATOM 0 HD1 TYR A 55 21.744 1.187 -11.123 1.00 0.00 H new ATOM 0 HD2 TYR A 55 23.181 -2.389 -9.323 1.00 0.00 H new ATOM 0 HE1 TYR A 55 23.875 1.447 -12.307 1.00 0.00 H new ATOM 0 HE2 TYR A 55 25.312 -2.128 -10.505 1.00 0.00 H new ATOM 0 HH TYR A 55 26.533 -0.918 -11.918 1.00 0.00 H new ATOM 743 N ILE A 56 18.738 1.318 -7.574 1.00 0.00 N ATOM 744 CA ILE A 56 17.378 1.271 -6.969 1.00 0.00 C ATOM 745 C ILE A 56 16.324 1.390 -8.080 1.00 0.00 C ATOM 746 O ILE A 56 16.339 2.341 -8.837 1.00 0.00 O ATOM 747 CB ILE A 56 17.218 2.435 -5.988 1.00 0.00 C ATOM 748 CG1 ILE A 56 17.306 3.761 -6.745 1.00 0.00 C ATOM 749 CG2 ILE A 56 18.331 2.374 -4.939 1.00 0.00 C ATOM 750 CD1 ILE A 56 15.899 4.220 -7.133 1.00 0.00 C ATOM 0 H ILE A 56 19.079 2.251 -7.806 1.00 0.00 H new ATOM 0 HA ILE A 56 17.245 0.328 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 56 16.248 2.362 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.788 4.516 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.921 3.643 -7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.218 3.203 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.269 1.431 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 56 19.300 2.445 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.960 5.165 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.434 3.468 -7.770 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.299 4.354 -6.233 1.00 0.00 H new ATOM 762 N PRO A 57 15.438 0.424 -8.150 1.00 0.00 N ATOM 763 CA PRO A 57 14.373 0.414 -9.169 1.00 0.00 C ATOM 764 C PRO A 57 13.467 1.638 -8.997 1.00 0.00 C ATOM 765 O PRO A 57 13.075 1.984 -7.900 1.00 0.00 O ATOM 766 CB PRO A 57 13.593 -0.884 -8.913 1.00 0.00 C ATOM 767 CG PRO A 57 14.233 -1.582 -7.685 1.00 0.00 C ATOM 768 CD PRO A 57 15.425 -0.727 -7.229 1.00 0.00 C ATOM 0 HA PRO A 57 14.767 0.456 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.541 -0.668 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.634 -1.534 -9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.505 -1.683 -6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.562 -2.588 -7.945 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.307 -0.404 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.358 -1.288 -7.284 1.00 0.00 H new ATOM 776 N SER A 58 13.134 2.298 -10.074 1.00 0.00 N ATOM 777 CA SER A 58 12.258 3.496 -9.979 1.00 0.00 C ATOM 778 C SER A 58 10.864 3.085 -9.503 1.00 0.00 C ATOM 779 O SER A 58 10.135 3.872 -8.934 1.00 0.00 O ATOM 780 CB SER A 58 12.151 4.145 -11.357 1.00 0.00 C ATOM 781 OG SER A 58 11.265 3.388 -12.170 1.00 0.00 O ATOM 0 H SER A 58 13.434 2.056 -11.018 1.00 0.00 H new ATOM 0 HA SER A 58 12.685 4.202 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.789 5.169 -11.261 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.135 4.197 -11.824 1.00 0.00 H new ATOM 0 HG SER A 58 10.351 3.725 -12.060 1.00 0.00 H new ATOM 787 N ASN A 59 10.487 1.859 -9.734 1.00 0.00 N ATOM 788 CA ASN A 59 9.139 1.400 -9.295 1.00 0.00 C ATOM 789 C ASN A 59 9.106 1.277 -7.771 1.00 0.00 C ATOM 790 O ASN A 59 8.054 1.159 -7.173 1.00 0.00 O ATOM 791 CB ASN A 59 8.838 0.037 -9.921 1.00 0.00 C ATOM 792 CG ASN A 59 7.334 -0.087 -10.172 1.00 0.00 C ATOM 793 OD1 ASN A 59 6.623 -0.686 -9.389 1.00 0.00 O ATOM 794 ND2 ASN A 59 6.817 0.456 -11.239 1.00 0.00 N ATOM 0 H ASN A 59 11.053 1.155 -10.207 1.00 0.00 H new ATOM 0 HA ASN A 59 8.390 2.124 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.384 -0.074 -10.858 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.174 -0.761 -9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.816 0.378 -11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.414 0.959 -11.896 1.00 0.00 H new ATOM 801 N TYR A 60 10.245 1.301 -7.134 1.00 0.00 N ATOM 802 CA TYR A 60 10.264 1.183 -5.649 1.00 0.00 C ATOM 803 C TYR A 60 10.623 2.529 -5.016 1.00 0.00 C ATOM 804 O TYR A 60 10.848 2.621 -3.826 1.00 0.00 O ATOM 805 CB TYR A 60 11.289 0.126 -5.233 1.00 0.00 C ATOM 806 CG TYR A 60 10.684 -1.274 -5.390 1.00 0.00 C ATOM 807 CD1 TYR A 60 9.462 -1.450 -6.010 1.00 0.00 C ATOM 808 CD2 TYR A 60 11.352 -2.382 -4.910 1.00 0.00 C ATOM 809 CE1 TYR A 60 8.919 -2.709 -6.146 1.00 0.00 C ATOM 810 CE2 TYR A 60 10.808 -3.643 -5.047 1.00 0.00 C ATOM 811 CZ TYR A 60 9.587 -3.817 -5.667 1.00 0.00 C ATOM 812 OH TYR A 60 9.044 -5.078 -5.805 1.00 0.00 O ATOM 0 H TYR A 60 11.159 1.397 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 60 9.274 0.885 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.186 0.215 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.592 0.287 -4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.927 -0.593 -6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.308 -2.261 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.962 -2.830 -6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.342 -4.501 -4.666 1.00 0.00 H new ATOM 0 HH TYR A 60 9.650 -5.740 -5.412 1.00 0.00 H new ATOM 822 N VAL A 61 10.680 3.573 -5.799 1.00 0.00 N ATOM 823 CA VAL A 61 11.024 4.911 -5.236 1.00 0.00 C ATOM 824 C VAL A 61 10.047 5.948 -5.783 1.00 0.00 C ATOM 825 O VAL A 61 9.318 5.696 -6.721 1.00 0.00 O ATOM 826 CB VAL A 61 12.450 5.301 -5.632 1.00 0.00 C ATOM 827 CG1 VAL A 61 12.637 5.122 -7.140 1.00 0.00 C ATOM 828 CG2 VAL A 61 12.706 6.762 -5.266 1.00 0.00 C ATOM 0 H VAL A 61 10.503 3.557 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 61 10.957 4.870 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 61 13.153 4.661 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.654 5.401 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.461 4.080 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.929 5.757 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.722 7.035 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.998 7.399 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.581 6.895 -4.191 1.00 0.00 H new ATOM 838 N ALA A 62 10.027 7.113 -5.205 1.00 0.00 N ATOM 839 CA ALA A 62 9.093 8.168 -5.695 1.00 0.00 C ATOM 840 C ALA A 62 9.468 9.521 -5.080 1.00 0.00 C ATOM 841 O ALA A 62 9.867 9.588 -3.935 1.00 0.00 O ATOM 842 CB ALA A 62 7.662 7.806 -5.295 1.00 0.00 C ATOM 0 H ALA A 62 10.614 7.383 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 62 9.164 8.235 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.978 8.576 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.392 6.847 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.594 7.736 -4.209 1.00 0.00 H new ATOM 848 N PRO A 63 9.322 10.564 -5.862 1.00 0.00 N ATOM 849 CA PRO A 63 9.641 11.931 -5.413 1.00 0.00 C ATOM 850 C PRO A 63 8.726 12.334 -4.252 1.00 0.00 C ATOM 851 O PRO A 63 7.618 12.790 -4.453 1.00 0.00 O ATOM 852 CB PRO A 63 9.378 12.820 -6.637 1.00 0.00 C ATOM 853 CG PRO A 63 8.872 11.905 -7.783 1.00 0.00 C ATOM 854 CD PRO A 63 8.837 10.464 -7.251 1.00 0.00 C ATOM 0 HA PRO A 63 10.667 12.020 -5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.637 13.585 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.289 13.339 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.880 12.216 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.530 11.977 -8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.828 10.053 -7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.472 9.807 -7.846 1.00 0.00 H new ATOM 862 N SER A 64 9.181 12.170 -3.040 1.00 0.00 N ATOM 863 CA SER A 64 8.337 12.544 -1.871 1.00 0.00 C ATOM 864 C SER A 64 6.944 11.932 -2.030 1.00 0.00 C ATOM 865 O SER A 64 6.826 10.956 -2.753 1.00 0.00 O ATOM 866 CB SER A 64 8.220 14.067 -1.795 1.00 0.00 C ATOM 867 OG SER A 64 7.172 14.504 -2.647 1.00 0.00 O ATOM 868 OXT SER A 64 6.018 12.450 -1.427 1.00 0.00 O ATOM 0 H SER A 64 10.100 11.793 -2.809 1.00 0.00 H new ATOM 0 HA SER A 64 8.795 12.168 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.022 14.376 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.161 14.530 -2.091 1.00 0.00 H new ATOM 0 HG SER A 64 7.290 14.113 -3.538 1.00 0.00 H new TER 874 SER A 64