USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 575 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 28 ASN : amide:sc= 0.0629 K(o=-0.4,f=-6!) USER MOD Set 1.2: A 37 MET CE :methyl -167:sc= -0.464 (180deg=-0.237) USER MOD Set 2.1: A 11 THR OG1 : rot 100:sc= 0.388 USER MOD Set 2.2: A 38 LYS NZ :NH3+ -164:sc= 0.29 (180deg=-0.0376) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.79! C(o=-4!,f=-2.8!) USER MOD Single : A 23 GLN : amide:sc= -0.659 K(o=-0.66,f=-6.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -84:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.104 (180deg=-0.674) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.1) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.835 USER MOD Single : A 79 SER OG : rot -170:sc= -1.2 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.200 -8.497 0.203 1.00 0.00 N ATOM 2 CA GLU A 7 8.126 -8.893 1.604 1.00 0.00 C ATOM 3 C GLU A 7 8.788 -10.250 1.822 1.00 0.00 C ATOM 4 O GLU A 7 9.492 -10.459 2.812 1.00 0.00 O ATOM 5 CB GLU A 7 6.667 -8.945 2.065 1.00 0.00 C ATOM 6 CG GLU A 7 5.812 -9.919 1.272 1.00 0.00 C ATOM 7 CD GLU A 7 4.355 -9.889 1.690 1.00 0.00 C ATOM 8 OE1 GLU A 7 3.909 -8.847 2.213 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.661 -10.908 1.494 1.00 0.00 O ATOM 0 HA GLU A 7 8.661 -8.149 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.637 -9.223 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.234 -7.948 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.887 -9.682 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.203 -10.928 1.401 1.00 0.00 H new ATOM 16 N LEU A 8 8.557 -11.171 0.893 1.00 0.00 N ATOM 17 CA LEU A 8 9.131 -12.509 0.982 1.00 0.00 C ATOM 18 C LEU A 8 10.603 -12.499 0.585 1.00 0.00 C ATOM 19 O LEU A 8 11.133 -11.474 0.156 1.00 0.00 O ATOM 20 CB LEU A 8 8.356 -13.478 0.087 1.00 0.00 C ATOM 21 CG LEU A 8 8.250 -13.091 -1.388 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.521 -13.470 -2.132 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.038 -13.752 -2.027 1.00 0.00 C ATOM 0 H LEU A 8 7.976 -11.016 0.069 1.00 0.00 H new ATOM 0 HA LEU A 8 9.056 -12.841 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.829 -14.458 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.348 -13.584 0.488 1.00 0.00 H new ATOM 0 HG LEU A 8 8.125 -12.010 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.427 -13.187 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.370 -12.949 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.678 -14.546 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.978 -13.465 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.132 -14.835 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.134 -13.430 -1.511 1.00 0.00 H new ATOM 35 N SER A 9 11.258 -13.646 0.728 1.00 0.00 N ATOM 36 CA SER A 9 12.670 -13.769 0.386 1.00 0.00 C ATOM 37 C SER A 9 12.863 -14.724 -0.788 1.00 0.00 C ATOM 38 O SER A 9 11.905 -15.308 -1.291 1.00 0.00 O ATOM 39 CB SER A 9 13.469 -14.260 1.594 1.00 0.00 C ATOM 40 OG SER A 9 13.962 -13.172 2.357 1.00 0.00 O ATOM 0 H SER A 9 10.833 -14.504 1.079 1.00 0.00 H new ATOM 0 HA SER A 9 13.035 -12.784 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.837 -14.890 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.301 -14.878 1.257 1.00 0.00 H new ATOM 0 HG SER A 9 14.468 -13.513 3.124 1.00 0.00 H new ATOM 46 N ASN A 10 14.111 -14.877 -1.220 1.00 0.00 N ATOM 47 CA ASN A 10 14.431 -15.760 -2.335 1.00 0.00 C ATOM 48 C ASN A 10 14.678 -17.185 -1.847 1.00 0.00 C ATOM 49 O ASN A 10 14.110 -18.141 -2.376 1.00 0.00 O ATOM 50 CB ASN A 10 15.663 -15.245 -3.083 1.00 0.00 C ATOM 51 CG ASN A 10 15.688 -15.693 -4.532 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.739 -16.412 -4.910 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.774 -15.396 -5.301 1.00 0.00 N flip ATOM 0 H ASN A 10 14.917 -14.401 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 10 13.579 -15.770 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.681 -14.156 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.564 -15.598 -2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.986 -14.842 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.805 -15.704 -6.273 1.00 0.00 H new ATOM 60 N THR A 11 15.528 -17.319 -0.834 1.00 0.00 N ATOM 61 CA THR A 11 15.851 -18.625 -0.275 1.00 0.00 C ATOM 62 C THR A 11 15.706 -18.625 1.243 1.00 0.00 C ATOM 63 O THR A 11 16.650 -18.306 1.966 1.00 0.00 O ATOM 64 CB THR A 11 17.283 -19.056 -0.642 1.00 0.00 C ATOM 65 OG1 THR A 11 18.199 -17.987 -0.379 1.00 0.00 O ATOM 66 CG2 THR A 11 17.369 -19.455 -2.108 1.00 0.00 C ATOM 0 H THR A 11 16.005 -16.538 -0.384 1.00 0.00 H new ATOM 0 HA THR A 11 15.145 -19.335 -0.705 1.00 0.00 H new ATOM 0 HB THR A 11 17.547 -19.919 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.647 -18.143 0.479 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.390 -19.756 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.692 -20.288 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.087 -18.608 -2.733 1.00 0.00 H new ATOM 74 N ARG A 12 14.519 -18.985 1.719 1.00 0.00 N ATOM 75 CA ARG A 12 14.251 -19.025 3.152 1.00 0.00 C ATOM 76 C ARG A 12 12.819 -19.476 3.425 1.00 0.00 C ATOM 77 O ARG A 12 11.861 -18.845 2.976 1.00 0.00 O ATOM 78 CB ARG A 12 14.491 -17.649 3.776 1.00 0.00 C ATOM 79 CG ARG A 12 15.198 -17.705 5.120 1.00 0.00 C ATOM 80 CD ARG A 12 16.038 -16.460 5.359 1.00 0.00 C ATOM 81 NE ARG A 12 15.239 -15.349 5.870 1.00 0.00 N ATOM 82 CZ ARG A 12 15.756 -14.298 6.495 1.00 0.00 C ATOM 83 NH1 ARG A 12 17.066 -14.214 6.686 1.00 0.00 N ATOM 84 NH2 ARG A 12 14.963 -13.327 6.930 1.00 0.00 N ATOM 0 H ARG A 12 13.728 -19.253 1.134 1.00 0.00 H new ATOM 0 HA ARG A 12 14.933 -19.745 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.084 -17.046 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.533 -17.143 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.461 -17.806 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.835 -18.589 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.833 -16.690 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.518 -16.162 4.427 1.00 0.00 H new ATOM 0 HE ARG A 12 14.228 -15.383 5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.679 -14.958 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.461 -13.405 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.955 -13.388 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.361 -12.520 7.410 1.00 0.00 H new ATOM 98 N LEU A 13 12.681 -20.573 4.162 1.00 0.00 N ATOM 99 CA LEU A 13 11.366 -21.110 4.495 1.00 0.00 C ATOM 100 C LEU A 13 11.206 -21.263 6.004 1.00 0.00 C ATOM 101 O LEU A 13 11.991 -21.954 6.655 1.00 0.00 O ATOM 102 CB LEU A 13 11.157 -22.461 3.809 1.00 0.00 C ATOM 103 CG LEU A 13 11.892 -22.662 2.484 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.538 -24.011 1.876 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.563 -21.536 1.515 1.00 0.00 C ATOM 0 H LEU A 13 13.463 -21.108 4.540 1.00 0.00 H new ATOM 0 HA LEU A 13 10.613 -20.407 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.468 -23.247 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.090 -22.595 3.633 1.00 0.00 H new ATOM 0 HG LEU A 13 12.964 -22.645 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.071 -24.136 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.825 -24.807 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.464 -24.058 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.095 -21.696 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.490 -21.521 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.868 -20.583 1.947 1.00 0.00 H new ATOM 117 N PHE A 14 10.184 -20.616 6.554 1.00 0.00 N ATOM 118 CA PHE A 14 9.920 -20.681 7.987 1.00 0.00 C ATOM 119 C PHE A 14 8.912 -21.780 8.305 1.00 0.00 C ATOM 120 O PHE A 14 7.794 -21.782 7.789 1.00 0.00 O ATOM 121 CB PHE A 14 9.400 -19.333 8.493 1.00 0.00 C ATOM 122 CG PHE A 14 8.578 -19.440 9.745 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.190 -19.560 10.983 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.194 -19.422 9.686 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.437 -19.658 12.138 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.436 -19.519 10.837 1.00 0.00 C ATOM 127 CZ PHE A 14 7.058 -19.639 12.064 1.00 0.00 C ATOM 0 H PHE A 14 9.525 -20.041 6.029 1.00 0.00 H new ATOM 0 HA PHE A 14 10.856 -20.914 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.247 -18.673 8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.799 -18.868 7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.268 -19.577 11.046 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.702 -19.331 8.729 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.926 -19.749 13.097 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.358 -19.501 10.777 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.467 -19.718 12.964 1.00 0.00 H new ATOM 137 N VAL A 15 9.315 -22.716 9.159 1.00 0.00 N ATOM 138 CA VAL A 15 8.447 -23.822 9.547 1.00 0.00 C ATOM 139 C VAL A 15 7.877 -23.608 10.945 1.00 0.00 C ATOM 140 O VAL A 15 8.356 -22.761 11.699 1.00 0.00 O ATOM 141 CB VAL A 15 9.200 -25.165 9.512 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.224 -26.320 9.351 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.232 -25.168 8.394 1.00 0.00 C ATOM 0 H VAL A 15 10.237 -22.730 9.595 1.00 0.00 H new ATOM 0 HA VAL A 15 7.631 -23.853 8.825 1.00 0.00 H new ATOM 0 HB VAL A 15 9.724 -25.293 10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.774 -27.261 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.527 -26.327 10.189 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.670 -26.201 8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.755 -26.124 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.732 -25.017 7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.949 -24.364 8.559 1.00 0.00 H new ATOM 153 N ARG A 16 6.851 -24.382 11.284 1.00 0.00 N ATOM 154 CA ARG A 16 6.215 -24.278 12.592 1.00 0.00 C ATOM 155 C ARG A 16 7.070 -24.940 13.668 1.00 0.00 C ATOM 156 O ARG A 16 8.042 -25.640 13.380 1.00 0.00 O ATOM 157 CB ARG A 16 4.827 -24.921 12.560 1.00 0.00 C ATOM 158 CG ARG A 16 3.690 -23.914 12.498 1.00 0.00 C ATOM 159 CD ARG A 16 2.336 -24.595 12.623 1.00 0.00 C ATOM 160 NE ARG A 16 2.015 -24.926 14.008 1.00 0.00 N ATOM 161 CZ ARG A 16 1.069 -25.790 14.357 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.354 -26.408 13.427 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.836 -26.039 15.640 1.00 0.00 N ATOM 0 H ARG A 16 6.443 -25.088 10.671 1.00 0.00 H new ATOM 0 HA ARG A 16 6.113 -23.220 12.835 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.762 -25.583 11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.703 -25.542 13.447 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.806 -23.183 13.298 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.738 -23.367 11.556 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.563 -23.942 12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.331 -25.505 12.023 1.00 0.00 H new ATOM 0 HE ARG A 16 2.547 -24.468 14.748 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.530 -26.220 12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.372 -27.071 13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.384 -25.566 16.359 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.109 -26.703 15.907 1.00 0.00 H new ATOM 177 N PRO A 17 6.702 -24.716 14.938 1.00 0.00 N ATOM 178 CA PRO A 17 7.423 -25.282 16.082 1.00 0.00 C ATOM 179 C PRO A 17 7.239 -26.792 16.193 1.00 0.00 C ATOM 180 O PRO A 17 6.115 -27.286 16.275 1.00 0.00 O ATOM 181 CB PRO A 17 6.789 -24.577 17.284 1.00 0.00 C ATOM 182 CG PRO A 17 5.426 -24.192 16.822 1.00 0.00 C ATOM 183 CD PRO A 17 5.555 -23.892 15.355 1.00 0.00 C ATOM 0 HA PRO A 17 8.500 -25.132 16.001 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.742 -25.237 18.150 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.368 -23.703 17.581 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.713 -24.999 16.994 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.060 -23.322 17.367 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.650 -24.158 14.809 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.735 -22.832 15.176 1.00 0.00 H new ATOM 191 N PHE A 18 8.351 -27.519 16.196 1.00 0.00 N ATOM 192 CA PHE A 18 8.313 -28.974 16.296 1.00 0.00 C ATOM 193 C PHE A 18 8.448 -29.422 17.748 1.00 0.00 C ATOM 194 O PHE A 18 8.956 -28.697 18.604 1.00 0.00 O ATOM 195 CB PHE A 18 9.429 -29.594 15.453 1.00 0.00 C ATOM 196 CG PHE A 18 9.283 -29.334 13.981 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.710 -28.136 13.430 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.718 -30.286 13.148 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.578 -27.894 12.075 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.584 -30.050 11.793 1.00 0.00 C ATOM 201 CZ PHE A 18 9.013 -28.852 11.256 1.00 0.00 C ATOM 0 H PHE A 18 9.290 -27.125 16.130 1.00 0.00 H new ATOM 0 HA PHE A 18 7.350 -29.315 15.917 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.389 -29.202 15.790 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.447 -30.670 15.624 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.151 -27.383 14.066 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.378 -31.224 13.563 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.916 -26.957 11.658 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.144 -30.802 11.154 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.907 -28.665 10.198 1.00 0.00 H new ATOM 211 N PRO A 19 7.983 -30.647 18.034 1.00 0.00 N ATOM 212 CA PRO A 19 8.040 -31.221 19.382 1.00 0.00 C ATOM 213 C PRO A 19 9.465 -31.556 19.810 1.00 0.00 C ATOM 214 O PRO A 19 10.431 -31.056 19.232 1.00 0.00 O ATOM 215 CB PRO A 19 7.204 -32.498 19.260 1.00 0.00 C ATOM 216 CG PRO A 19 7.282 -32.865 17.818 1.00 0.00 C ATOM 217 CD PRO A 19 7.365 -31.567 17.064 1.00 0.00 C ATOM 0 HA PRO A 19 7.673 -30.525 20.137 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.600 -33.292 19.893 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.173 -32.327 19.570 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.155 -33.487 17.620 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.406 -33.438 17.513 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.969 -31.664 16.162 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.380 -31.220 16.752 1.00 0.00 H new ATOM 225 N LEU A 20 9.589 -32.404 20.824 1.00 0.00 N ATOM 226 CA LEU A 20 10.897 -32.807 21.329 1.00 0.00 C ATOM 227 C LEU A 20 11.776 -33.340 20.201 1.00 0.00 C ATOM 228 O LEU A 20 13.000 -33.387 20.324 1.00 0.00 O ATOM 229 CB LEU A 20 10.741 -33.872 22.416 1.00 0.00 C ATOM 230 CG LEU A 20 9.944 -35.117 22.025 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.859 -36.167 21.414 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.213 -35.683 23.234 1.00 0.00 C ATOM 0 H LEU A 20 8.800 -32.826 21.313 1.00 0.00 H new ATOM 0 HA LEU A 20 11.380 -31.928 21.757 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.735 -34.186 22.734 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.260 -33.413 23.280 1.00 0.00 H new ATOM 0 HG LEU A 20 9.204 -34.831 21.278 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.274 -37.046 21.142 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.337 -35.759 20.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.623 -36.450 22.138 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.651 -36.569 22.938 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.937 -35.953 24.003 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.527 -34.933 23.628 1.00 0.00 H new ATOM 244 N ASP A 21 11.143 -33.739 19.104 1.00 0.00 N ATOM 245 CA ASP A 21 11.867 -34.265 17.952 1.00 0.00 C ATOM 246 C ASP A 21 12.254 -33.143 16.994 1.00 0.00 C ATOM 247 O ASP A 21 12.464 -33.374 15.804 1.00 0.00 O ATOM 248 CB ASP A 21 11.017 -35.306 17.221 1.00 0.00 C ATOM 249 CG ASP A 21 11.852 -36.233 16.360 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.423 -37.198 16.908 1.00 0.00 O ATOM 251 OD2 ASP A 21 11.934 -35.993 15.137 1.00 0.00 O ATOM 0 H ASP A 21 10.130 -33.708 18.988 1.00 0.00 H new ATOM 0 HA ASP A 21 12.779 -34.740 18.313 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.461 -35.895 17.951 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.283 -34.798 16.596 1.00 0.00 H new ATOM 256 N VAL A 22 12.345 -31.927 17.522 1.00 0.00 N ATOM 257 CA VAL A 22 12.707 -30.768 16.714 1.00 0.00 C ATOM 258 C VAL A 22 14.200 -30.758 16.405 1.00 0.00 C ATOM 259 O VAL A 22 15.000 -30.237 17.182 1.00 0.00 O ATOM 260 CB VAL A 22 12.331 -29.452 17.420 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.887 -29.427 18.835 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.830 -28.258 16.621 1.00 0.00 C ATOM 0 H VAL A 22 12.173 -31.718 18.506 1.00 0.00 H new ATOM 0 HA VAL A 22 12.147 -30.844 15.782 1.00 0.00 H new ATOM 0 HB VAL A 22 11.244 -29.391 17.482 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.611 -28.490 19.318 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.476 -30.262 19.402 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.973 -29.511 18.801 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.556 -27.336 17.134 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.915 -28.311 16.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.378 -28.269 15.629 1.00 0.00 H new ATOM 272 N GLN A 23 14.567 -31.337 15.267 1.00 0.00 N ATOM 273 CA GLN A 23 15.965 -31.394 14.856 1.00 0.00 C ATOM 274 C GLN A 23 16.089 -31.336 13.337 1.00 0.00 C ATOM 275 O GLN A 23 15.104 -31.504 12.618 1.00 0.00 O ATOM 276 CB GLN A 23 16.622 -32.671 15.384 1.00 0.00 C ATOM 277 CG GLN A 23 15.940 -33.945 14.914 1.00 0.00 C ATOM 278 CD GLN A 23 16.420 -35.174 15.662 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.812 -36.171 15.055 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.390 -35.109 16.988 1.00 0.00 N ATOM 0 H GLN A 23 13.917 -31.773 14.613 1.00 0.00 H new ATOM 0 HA GLN A 23 16.477 -30.529 15.278 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.665 -32.690 15.069 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.618 -32.648 16.474 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.862 -33.844 15.042 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.123 -34.079 13.848 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.057 -34.262 17.450 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.700 -35.906 17.545 1.00 0.00 H new ATOM 289 N GLU A 24 17.305 -31.097 12.856 1.00 0.00 N ATOM 290 CA GLU A 24 17.556 -31.015 11.422 1.00 0.00 C ATOM 291 C GLU A 24 17.294 -32.359 10.746 1.00 0.00 C ATOM 292 O GLU A 24 17.056 -32.424 9.541 1.00 0.00 O ATOM 293 CB GLU A 24 18.996 -30.571 11.158 1.00 0.00 C ATOM 294 CG GLU A 24 20.037 -31.580 11.612 1.00 0.00 C ATOM 295 CD GLU A 24 21.404 -31.320 11.009 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.837 -30.149 11.002 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.040 -32.289 10.544 1.00 0.00 O ATOM 0 H GLU A 24 18.131 -30.957 13.438 1.00 0.00 H new ATOM 0 HA GLU A 24 16.873 -30.277 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.121 -30.388 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.174 -29.624 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.113 -31.554 12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.709 -32.583 11.339 1.00 0.00 H new ATOM 304 N SER A 25 17.341 -33.429 11.533 1.00 0.00 N ATOM 305 CA SER A 25 17.114 -34.772 11.012 1.00 0.00 C ATOM 306 C SER A 25 15.804 -34.837 10.232 1.00 0.00 C ATOM 307 O SER A 25 15.773 -35.293 9.090 1.00 0.00 O ATOM 308 CB SER A 25 17.092 -35.789 12.155 1.00 0.00 C ATOM 309 OG SER A 25 17.294 -37.105 11.670 1.00 0.00 O ATOM 0 H SER A 25 17.534 -33.392 12.534 1.00 0.00 H new ATOM 0 HA SER A 25 17.933 -35.016 10.335 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.867 -35.542 12.880 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.137 -35.733 12.677 1.00 0.00 H new ATOM 0 HG SER A 25 17.277 -37.736 12.420 1.00 0.00 H new ATOM 315 N GLU A 26 14.726 -34.379 10.860 1.00 0.00 N ATOM 316 CA GLU A 26 13.413 -34.386 10.225 1.00 0.00 C ATOM 317 C GLU A 26 13.356 -33.377 9.082 1.00 0.00 C ATOM 318 O GLU A 26 12.738 -33.630 8.046 1.00 0.00 O ATOM 319 CB GLU A 26 12.324 -34.072 11.253 1.00 0.00 C ATOM 320 CG GLU A 26 12.640 -32.869 12.126 1.00 0.00 C ATOM 321 CD GLU A 26 11.396 -32.230 12.712 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.287 -32.530 12.222 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.531 -31.430 13.661 1.00 0.00 O ATOM 0 H GLU A 26 14.736 -33.999 11.806 1.00 0.00 H new ATOM 0 HA GLU A 26 13.240 -35.381 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.384 -33.895 10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.175 -34.944 11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.302 -33.176 12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.181 -32.129 11.536 1.00 0.00 H new ATOM 330 N LEU A 27 14.003 -32.234 9.277 1.00 0.00 N ATOM 331 CA LEU A 27 14.026 -31.185 8.263 1.00 0.00 C ATOM 332 C LEU A 27 14.661 -31.690 6.971 1.00 0.00 C ATOM 333 O LEU A 27 14.190 -31.387 5.876 1.00 0.00 O ATOM 334 CB LEU A 27 14.792 -29.966 8.779 1.00 0.00 C ATOM 335 CG LEU A 27 14.248 -29.322 10.055 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.560 -27.833 10.075 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.750 -29.556 10.173 1.00 0.00 C ATOM 0 H LEU A 27 14.519 -32.009 10.128 1.00 0.00 H new ATOM 0 HA LEU A 27 12.997 -30.896 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.826 -30.260 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.806 -29.211 7.993 1.00 0.00 H new ATOM 0 HG LEU A 27 14.737 -29.787 10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.166 -27.391 10.990 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.640 -27.687 10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.099 -27.353 9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.380 -29.091 11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.244 -29.118 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.550 -30.627 10.205 1.00 0.00 H new ATOM 349 N ASN A 28 15.732 -32.465 7.109 1.00 0.00 N ATOM 350 CA ASN A 28 16.431 -33.014 5.952 1.00 0.00 C ATOM 351 C ASN A 28 15.649 -34.174 5.344 1.00 0.00 C ATOM 352 O ASN A 28 15.595 -34.327 4.125 1.00 0.00 O ATOM 353 CB ASN A 28 17.832 -33.483 6.352 1.00 0.00 C ATOM 354 CG ASN A 28 18.854 -32.364 6.295 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.538 -32.184 5.287 1.00 0.00 O ATOM 356 ND2 ASN A 28 18.963 -31.605 7.379 1.00 0.00 N ATOM 0 H ASN A 28 16.134 -32.727 8.009 1.00 0.00 H new ATOM 0 HA ASN A 28 16.518 -32.226 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.801 -33.892 7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.144 -34.291 5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.634 -30.837 7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.376 -31.790 8.192 1.00 0.00 H new ATOM 363 N GLU A 29 15.044 -34.988 6.204 1.00 0.00 N ATOM 364 CA GLU A 29 14.265 -36.134 5.751 1.00 0.00 C ATOM 365 C GLU A 29 12.949 -35.684 5.123 1.00 0.00 C ATOM 366 O GLU A 29 12.318 -36.432 4.375 1.00 0.00 O ATOM 367 CB GLU A 29 13.988 -37.084 6.918 1.00 0.00 C ATOM 368 CG GLU A 29 15.183 -37.940 7.304 1.00 0.00 C ATOM 369 CD GLU A 29 14.778 -39.298 7.844 1.00 0.00 C ATOM 370 OE1 GLU A 29 14.189 -40.089 7.079 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.051 -39.568 9.032 1.00 0.00 O ATOM 0 H GLU A 29 15.079 -34.875 7.217 1.00 0.00 H new ATOM 0 HA GLU A 29 14.847 -36.660 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.675 -36.501 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.155 -37.736 6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.824 -38.076 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.773 -37.416 8.056 1.00 0.00 H new ATOM 378 N ILE A 30 12.542 -34.458 5.434 1.00 0.00 N ATOM 379 CA ILE A 30 11.302 -33.908 4.900 1.00 0.00 C ATOM 380 C ILE A 30 11.573 -32.995 3.709 1.00 0.00 C ATOM 381 O ILE A 30 11.014 -33.185 2.629 1.00 0.00 O ATOM 382 CB ILE A 30 10.529 -33.117 5.973 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.071 -34.052 7.095 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.338 -32.405 5.350 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.800 -33.339 8.402 1.00 0.00 C ATOM 0 H ILE A 30 13.052 -33.827 6.052 1.00 0.00 H new ATOM 0 HA ILE A 30 10.696 -34.754 4.576 1.00 0.00 H new ATOM 0 HB ILE A 30 11.194 -32.366 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.166 -34.570 6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.834 -34.813 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.802 -31.851 6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.688 -31.714 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.670 -33.139 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.480 -34.063 9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.710 -32.843 8.742 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.015 -32.597 8.256 1.00 0.00 H new ATOM 397 N PHE A 31 12.436 -32.005 3.914 1.00 0.00 N ATOM 398 CA PHE A 31 12.782 -31.063 2.856 1.00 0.00 C ATOM 399 C PHE A 31 13.854 -31.645 1.939 1.00 0.00 C ATOM 400 O PHE A 31 14.257 -31.017 0.961 1.00 0.00 O ATOM 401 CB PHE A 31 13.272 -29.745 3.459 1.00 0.00 C ATOM 402 CG PHE A 31 12.208 -28.998 4.211 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.736 -29.472 5.425 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.679 -27.821 3.706 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.757 -28.787 6.119 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.700 -27.132 4.395 1.00 0.00 C ATOM 407 CZ PHE A 31 10.239 -27.615 5.604 1.00 0.00 C ATOM 0 H PHE A 31 12.908 -31.835 4.802 1.00 0.00 H new ATOM 0 HA PHE A 31 11.886 -30.874 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.105 -29.950 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.655 -29.110 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.138 -30.387 5.833 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.037 -27.438 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.397 -29.168 7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.296 -26.217 3.989 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.475 -27.077 6.146 1.00 0.00 H new ATOM 417 N GLY A 32 14.312 -32.850 2.264 1.00 0.00 N ATOM 418 CA GLY A 32 15.334 -33.497 1.461 1.00 0.00 C ATOM 419 C GLY A 32 14.953 -33.580 -0.003 1.00 0.00 C ATOM 420 O GLY A 32 15.642 -33.053 -0.877 1.00 0.00 O ATOM 0 H GLY A 32 13.994 -33.390 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.271 -32.948 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.512 -34.502 1.845 1.00 0.00 H new ATOM 424 N PRO A 33 13.831 -34.257 -0.290 1.00 0.00 N ATOM 425 CA PRO A 33 13.335 -34.425 -1.659 1.00 0.00 C ATOM 426 C PRO A 33 12.815 -33.120 -2.251 1.00 0.00 C ATOM 427 O PRO A 33 11.644 -33.016 -2.618 1.00 0.00 O ATOM 428 CB PRO A 33 12.194 -35.433 -1.502 1.00 0.00 C ATOM 429 CG PRO A 33 11.736 -35.270 -0.094 1.00 0.00 C ATOM 430 CD PRO A 33 12.960 -34.911 0.701 1.00 0.00 C ATOM 0 HA PRO A 33 14.121 -34.753 -2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.387 -35.231 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.536 -36.450 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.979 -34.490 -0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.285 -36.190 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.720 -34.243 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.433 -35.794 1.131 1.00 0.00 H new ATOM 438 N PHE A 34 13.692 -32.125 -2.341 1.00 0.00 N ATOM 439 CA PHE A 34 13.320 -30.826 -2.889 1.00 0.00 C ATOM 440 C PHE A 34 14.525 -30.139 -3.526 1.00 0.00 C ATOM 441 O PHE A 34 14.416 -29.532 -4.590 1.00 0.00 O ATOM 442 CB PHE A 34 12.733 -29.936 -1.791 1.00 0.00 C ATOM 443 CG PHE A 34 11.300 -30.249 -1.468 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.383 -30.486 -2.480 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.869 -30.307 -0.152 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.064 -30.775 -2.186 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.552 -30.596 0.148 1.00 0.00 C ATOM 448 CZ PHE A 34 8.648 -30.829 -0.870 1.00 0.00 C ATOM 0 H PHE A 34 14.665 -32.194 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 34 12.566 -30.986 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.333 -30.044 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.808 -28.894 -2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.703 -30.444 -3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.571 -30.124 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.360 -30.958 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.229 -30.640 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.617 -31.053 -0.637 1.00 0.00 H new ATOM 458 N GLY A 35 15.674 -30.241 -2.865 1.00 0.00 N ATOM 459 CA GLY A 35 16.883 -29.625 -3.380 1.00 0.00 C ATOM 460 C GLY A 35 17.968 -29.509 -2.329 1.00 0.00 C ATOM 461 O GLY A 35 17.774 -29.857 -1.164 1.00 0.00 O ATOM 0 H GLY A 35 15.789 -30.739 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.256 -30.211 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.646 -28.633 -3.764 1.00 0.00 H new ATOM 465 N PRO A 36 19.145 -29.012 -2.739 1.00 0.00 N ATOM 466 CA PRO A 36 20.289 -28.841 -1.839 1.00 0.00 C ATOM 467 C PRO A 36 20.064 -27.730 -0.819 1.00 0.00 C ATOM 468 O PRO A 36 20.323 -26.559 -1.095 1.00 0.00 O ATOM 469 CB PRO A 36 21.433 -28.473 -2.787 1.00 0.00 C ATOM 470 CG PRO A 36 20.764 -27.865 -3.971 1.00 0.00 C ATOM 471 CD PRO A 36 19.448 -28.577 -4.113 1.00 0.00 C ATOM 0 HA PRO A 36 20.479 -29.736 -1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.124 -27.772 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.013 -29.352 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.615 -26.795 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.372 -27.986 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.674 -27.917 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.521 -29.424 -4.796 1.00 0.00 H new ATOM 479 N MET A 37 19.580 -28.106 0.361 1.00 0.00 N ATOM 480 CA MET A 37 19.322 -27.140 1.423 1.00 0.00 C ATOM 481 C MET A 37 20.610 -26.442 1.848 1.00 0.00 C ATOM 482 O MET A 37 21.482 -27.051 2.469 1.00 0.00 O ATOM 483 CB MET A 37 18.682 -27.834 2.627 1.00 0.00 C ATOM 484 CG MET A 37 17.453 -28.654 2.273 1.00 0.00 C ATOM 485 SD MET A 37 17.107 -29.945 3.484 1.00 0.00 S ATOM 486 CE MET A 37 18.176 -31.256 2.896 1.00 0.00 C ATOM 0 H MET A 37 19.359 -29.071 0.605 1.00 0.00 H new ATOM 0 HA MET A 37 18.633 -26.388 1.038 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.420 -28.485 3.096 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.406 -27.081 3.366 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.590 -27.993 2.196 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.595 -29.109 1.293 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.911 -32.191 3.391 1.00 0.00 H new ATOM 0 HE2 MET A 37 18.055 -31.369 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.213 -31.008 3.120 1.00 0.00 H new ATOM 496 N LYS A 38 20.724 -25.163 1.510 1.00 0.00 N ATOM 497 CA LYS A 38 21.905 -24.381 1.857 1.00 0.00 C ATOM 498 C LYS A 38 22.146 -24.399 3.363 1.00 0.00 C ATOM 499 O LYS A 38 23.290 -24.408 3.817 1.00 0.00 O ATOM 500 CB LYS A 38 21.747 -22.938 1.373 1.00 0.00 C ATOM 501 CG LYS A 38 23.052 -22.163 1.335 1.00 0.00 C ATOM 502 CD LYS A 38 23.035 -21.093 0.256 1.00 0.00 C ATOM 503 CE LYS A 38 22.013 -20.009 0.562 1.00 0.00 C ATOM 504 NZ LYS A 38 20.928 -19.966 -0.457 1.00 0.00 N ATOM 0 H LYS A 38 20.012 -24.645 0.995 1.00 0.00 H new ATOM 0 HA LYS A 38 22.766 -24.831 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.309 -22.944 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 38 21.045 -22.419 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.229 -21.699 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.879 -22.850 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.026 -20.647 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 38 22.806 -21.549 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 38 21.580 -20.186 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 38 22.512 -19.041 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.412 -19.067 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 21.342 -20.045 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 20.271 -20.757 -0.299 1.00 0.00 H new ATOM 518 N GLU A 39 21.061 -24.407 4.131 1.00 0.00 N ATOM 519 CA GLU A 39 21.157 -24.425 5.586 1.00 0.00 C ATOM 520 C GLU A 39 19.795 -24.700 6.218 1.00 0.00 C ATOM 521 O GLU A 39 18.760 -24.584 5.562 1.00 0.00 O ATOM 522 CB GLU A 39 21.710 -23.094 6.100 1.00 0.00 C ATOM 523 CG GLU A 39 22.615 -23.239 7.312 1.00 0.00 C ATOM 524 CD GLU A 39 23.779 -24.178 7.063 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.790 -23.730 6.482 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.679 -25.361 7.450 1.00 0.00 O ATOM 0 H GLU A 39 20.107 -24.401 3.771 1.00 0.00 H new ATOM 0 HA GLU A 39 21.839 -25.227 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.265 -22.607 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.877 -22.438 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.998 -22.258 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.030 -23.607 8.155 1.00 0.00 H new ATOM 533 N VAL A 40 19.804 -25.064 7.496 1.00 0.00 N ATOM 534 CA VAL A 40 18.571 -25.355 8.217 1.00 0.00 C ATOM 535 C VAL A 40 18.708 -25.019 9.698 1.00 0.00 C ATOM 536 O VAL A 40 19.676 -25.414 10.349 1.00 0.00 O ATOM 537 CB VAL A 40 18.172 -26.835 8.073 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.520 -27.083 6.721 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.385 -27.734 8.262 1.00 0.00 C ATOM 0 H VAL A 40 20.652 -25.164 8.054 1.00 0.00 H new ATOM 0 HA VAL A 40 17.793 -24.732 7.776 1.00 0.00 H new ATOM 0 HB VAL A 40 17.446 -27.075 8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.245 -28.134 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.626 -26.466 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.221 -26.827 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.085 -28.777 8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.136 -27.495 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 19.804 -27.575 9.256 1.00 0.00 H new ATOM 549 N LYS A 41 17.733 -24.287 10.226 1.00 0.00 N ATOM 550 CA LYS A 41 17.742 -23.898 11.631 1.00 0.00 C ATOM 551 C LYS A 41 16.564 -24.520 12.375 1.00 0.00 C ATOM 552 O LYS A 41 15.441 -24.543 11.869 1.00 0.00 O ATOM 553 CB LYS A 41 17.694 -22.374 11.760 1.00 0.00 C ATOM 554 CG LYS A 41 18.457 -21.647 10.667 1.00 0.00 C ATOM 555 CD LYS A 41 19.928 -22.029 10.665 1.00 0.00 C ATOM 556 CE LYS A 41 20.646 -21.488 11.892 1.00 0.00 C ATOM 557 NZ LYS A 41 21.610 -22.475 12.450 1.00 0.00 N ATOM 0 H LYS A 41 16.926 -23.951 9.701 1.00 0.00 H new ATOM 0 HA LYS A 41 18.666 -24.265 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.654 -22.049 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.102 -22.087 12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.018 -21.882 9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.360 -20.571 10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.023 -23.114 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.404 -21.643 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.175 -20.572 11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.913 -21.225 12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.079 -22.069 13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.102 -23.340 12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.324 -22.707 11.731 1.00 0.00 H new ATOM 571 N ILE A 42 16.827 -25.020 13.578 1.00 0.00 N ATOM 572 CA ILE A 42 15.788 -25.638 14.391 1.00 0.00 C ATOM 573 C ILE A 42 15.843 -25.135 15.830 1.00 0.00 C ATOM 574 O ILE A 42 16.760 -25.470 16.581 1.00 0.00 O ATOM 575 CB ILE A 42 15.912 -27.173 14.391 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.363 -27.589 14.144 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.995 -27.779 13.339 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.706 -27.745 12.679 1.00 0.00 C ATOM 0 H ILE A 42 17.751 -25.009 14.011 1.00 0.00 H new ATOM 0 HA ILE A 42 14.832 -25.358 13.947 1.00 0.00 H new ATOM 0 HB ILE A 42 15.608 -27.547 15.369 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.026 -26.846 14.587 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.554 -28.532 14.656 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.094 -28.864 13.352 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.962 -27.506 13.556 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.271 -27.401 12.355 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.750 -28.041 12.579 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.068 -28.509 12.235 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.547 -26.797 12.165 1.00 0.00 H new ATOM 590 N LEU A 43 14.856 -24.330 16.207 1.00 0.00 N ATOM 591 CA LEU A 43 14.791 -23.781 17.557 1.00 0.00 C ATOM 592 C LEU A 43 13.458 -24.117 18.217 1.00 0.00 C ATOM 593 O LEU A 43 12.429 -24.209 17.549 1.00 0.00 O ATOM 594 CB LEU A 43 14.988 -22.264 17.522 1.00 0.00 C ATOM 595 CG LEU A 43 16.182 -21.761 16.711 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.908 -20.368 16.165 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.444 -21.763 17.562 1.00 0.00 C ATOM 0 H LEU A 43 14.090 -24.043 15.597 1.00 0.00 H new ATOM 0 HA LEU A 43 15.591 -24.231 18.145 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.083 -21.809 17.119 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.094 -21.908 18.547 1.00 0.00 H new ATOM 0 HG LEU A 43 16.334 -22.436 15.869 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.769 -20.027 15.590 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.030 -20.396 15.520 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.729 -19.682 16.993 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.284 -21.402 16.968 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.302 -21.111 18.424 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.651 -22.777 17.904 1.00 0.00 H new ATOM 609 N ASN A 44 13.484 -24.297 19.534 1.00 0.00 N ATOM 610 CA ASN A 44 12.277 -24.621 20.286 1.00 0.00 C ATOM 611 C ASN A 44 11.261 -23.486 20.198 1.00 0.00 C ATOM 612 O ASN A 44 11.262 -22.572 21.022 1.00 0.00 O ATOM 613 CB ASN A 44 12.622 -24.900 21.750 1.00 0.00 C ATOM 614 CG ASN A 44 11.756 -25.990 22.350 1.00 0.00 C ATOM 615 OD1 ASN A 44 10.852 -25.717 23.140 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.030 -27.235 21.977 1.00 0.00 N ATOM 0 H ASN A 44 14.328 -24.224 20.102 1.00 0.00 H new ATOM 0 HA ASN A 44 11.835 -25.516 19.848 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.670 -25.190 21.825 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.503 -23.985 22.329 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.482 -28.011 22.348 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.789 -27.415 21.320 1.00 0.00 H new ATOM 623 N GLY A 45 10.392 -23.552 19.193 1.00 0.00 N ATOM 624 CA GLY A 45 9.382 -22.525 19.016 1.00 0.00 C ATOM 625 C GLY A 45 9.201 -22.135 17.563 1.00 0.00 C ATOM 626 O GLY A 45 8.161 -21.595 17.183 1.00 0.00 O ATOM 0 H GLY A 45 10.370 -24.299 18.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.432 -22.881 19.414 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.659 -21.643 19.594 1.00 0.00 H new ATOM 630 N PHE A 46 10.215 -22.406 16.748 1.00 0.00 N ATOM 631 CA PHE A 46 10.163 -22.077 15.328 1.00 0.00 C ATOM 632 C PHE A 46 11.298 -22.759 14.570 1.00 0.00 C ATOM 633 O PHE A 46 12.351 -23.050 15.138 1.00 0.00 O ATOM 634 CB PHE A 46 10.242 -20.561 15.131 1.00 0.00 C ATOM 635 CG PHE A 46 10.906 -19.842 16.271 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.228 -20.100 16.594 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.207 -18.909 17.019 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.841 -19.440 17.643 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.814 -18.246 18.069 1.00 0.00 C ATOM 640 CZ PHE A 46 12.133 -18.511 18.381 1.00 0.00 C ATOM 0 H PHE A 46 11.082 -22.852 17.046 1.00 0.00 H new ATOM 0 HA PHE A 46 9.215 -22.440 14.931 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.788 -20.350 14.212 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.234 -20.167 15.001 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.786 -20.825 16.020 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.176 -18.697 16.779 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.872 -19.650 17.885 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.257 -17.521 18.645 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.610 -17.993 19.200 1.00 0.00 H new ATOM 650 N ALA A 47 11.075 -23.012 13.285 1.00 0.00 N ATOM 651 CA ALA A 47 12.078 -23.659 12.448 1.00 0.00 C ATOM 652 C ALA A 47 12.329 -22.859 11.175 1.00 0.00 C ATOM 653 O ALA A 47 11.467 -22.105 10.723 1.00 0.00 O ATOM 654 CB ALA A 47 11.646 -25.077 12.106 1.00 0.00 C ATOM 0 H ALA A 47 10.208 -22.779 12.800 1.00 0.00 H new ATOM 0 HA ALA A 47 13.011 -23.701 13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.405 -25.548 11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.525 -25.652 13.024 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.699 -25.049 11.568 1.00 0.00 H new ATOM 660 N PHE A 48 13.516 -23.027 10.600 1.00 0.00 N ATOM 661 CA PHE A 48 13.881 -22.319 9.379 1.00 0.00 C ATOM 662 C PHE A 48 14.641 -23.236 8.425 1.00 0.00 C ATOM 663 O PHE A 48 15.335 -24.158 8.853 1.00 0.00 O ATOM 664 CB PHE A 48 14.732 -21.091 9.711 1.00 0.00 C ATOM 665 CG PHE A 48 14.090 -20.168 10.706 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.146 -19.239 10.299 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.430 -20.229 12.048 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.554 -18.387 11.213 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.841 -19.380 12.966 1.00 0.00 C ATOM 670 CZ PHE A 48 12.901 -18.459 12.548 1.00 0.00 C ATOM 0 H PHE A 48 14.241 -23.647 10.960 1.00 0.00 H new ATOM 0 HA PHE A 48 12.963 -21.994 8.889 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.695 -21.421 10.102 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.933 -20.539 8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.870 -19.180 9.257 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.164 -20.948 12.380 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.821 -17.666 10.883 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.116 -19.437 14.009 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.438 -17.796 13.264 1.00 0.00 H new ATOM 680 N VAL A 49 14.504 -22.976 7.128 1.00 0.00 N ATOM 681 CA VAL A 49 15.177 -23.776 6.113 1.00 0.00 C ATOM 682 C VAL A 49 15.507 -22.939 4.882 1.00 0.00 C ATOM 683 O VAL A 49 14.611 -22.468 4.182 1.00 0.00 O ATOM 684 CB VAL A 49 14.316 -24.980 5.685 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.024 -25.787 4.608 1.00 0.00 C ATOM 686 CG2 VAL A 49 13.987 -25.853 6.887 1.00 0.00 C ATOM 0 H VAL A 49 13.933 -22.217 6.756 1.00 0.00 H new ATOM 0 HA VAL A 49 16.102 -24.140 6.560 1.00 0.00 H new ATOM 0 HB VAL A 49 13.381 -24.606 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.401 -26.633 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.204 -25.155 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.976 -26.153 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.378 -26.699 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.911 -26.220 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.436 -25.267 7.622 1.00 0.00 H new ATOM 696 N GLU A 50 16.798 -22.758 4.625 1.00 0.00 N ATOM 697 CA GLU A 50 17.246 -21.976 3.479 1.00 0.00 C ATOM 698 C GLU A 50 17.779 -22.885 2.375 1.00 0.00 C ATOM 699 O GLU A 50 18.797 -23.556 2.545 1.00 0.00 O ATOM 700 CB GLU A 50 18.329 -20.982 3.902 1.00 0.00 C ATOM 701 CG GLU A 50 18.998 -20.276 2.735 1.00 0.00 C ATOM 702 CD GLU A 50 19.559 -18.920 3.117 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.799 -18.696 4.322 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.757 -18.083 2.212 1.00 0.00 O ATOM 0 H GLU A 50 17.552 -23.142 5.195 1.00 0.00 H new ATOM 0 HA GLU A 50 16.389 -21.425 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.887 -20.236 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.088 -21.509 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.803 -20.902 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.276 -20.152 1.928 1.00 0.00 H new ATOM 711 N PHE A 51 17.082 -22.903 1.243 1.00 0.00 N ATOM 712 CA PHE A 51 17.483 -23.731 0.112 1.00 0.00 C ATOM 713 C PHE A 51 18.526 -23.016 -0.742 1.00 0.00 C ATOM 714 O PHE A 51 18.519 -21.790 -0.851 1.00 0.00 O ATOM 715 CB PHE A 51 16.266 -24.088 -0.743 1.00 0.00 C ATOM 716 CG PHE A 51 15.584 -25.356 -0.316 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.180 -26.587 -0.539 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.349 -25.318 0.309 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.555 -27.756 -0.148 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.719 -26.484 0.703 1.00 0.00 C ATOM 721 CZ PHE A 51 14.324 -27.704 0.475 1.00 0.00 C ATOM 0 H PHE A 51 16.237 -22.354 1.085 1.00 0.00 H new ATOM 0 HA PHE A 51 17.925 -24.647 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.549 -23.268 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.578 -24.185 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.144 -26.633 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.872 -24.366 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.029 -28.709 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.755 -26.441 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.835 -28.616 0.784 1.00 0.00 H new ATOM 731 N GLU A 52 19.422 -23.792 -1.345 1.00 0.00 N ATOM 732 CA GLU A 52 20.472 -23.232 -2.188 1.00 0.00 C ATOM 733 C GLU A 52 19.892 -22.689 -3.491 1.00 0.00 C ATOM 734 O GLU A 52 20.591 -22.043 -4.271 1.00 0.00 O ATOM 735 CB GLU A 52 21.532 -24.293 -2.492 1.00 0.00 C ATOM 736 CG GLU A 52 22.506 -24.526 -1.349 1.00 0.00 C ATOM 737 CD GLU A 52 23.773 -25.227 -1.796 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.682 -26.130 -2.654 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.858 -24.872 -1.288 1.00 0.00 O ATOM 0 H GLU A 52 19.442 -24.809 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 52 20.937 -22.408 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.035 -25.233 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 52 22.091 -23.993 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.765 -23.569 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.019 -25.122 -0.577 1.00 0.00 H new ATOM 746 N GLU A 53 18.610 -22.957 -3.719 1.00 0.00 N ATOM 747 CA GLU A 53 17.937 -22.496 -4.927 1.00 0.00 C ATOM 748 C GLU A 53 16.547 -21.957 -4.604 1.00 0.00 C ATOM 749 O GLU A 53 15.744 -22.629 -3.957 1.00 0.00 O ATOM 750 CB GLU A 53 17.831 -23.634 -5.944 1.00 0.00 C ATOM 751 CG GLU A 53 19.074 -23.801 -6.803 1.00 0.00 C ATOM 752 CD GLU A 53 19.027 -25.052 -7.659 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.367 -26.028 -7.248 1.00 0.00 O ATOM 754 OE2 GLU A 53 19.653 -25.053 -8.740 1.00 0.00 O ATOM 0 H GLU A 53 18.017 -23.491 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 53 18.530 -21.688 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.638 -24.567 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.974 -23.452 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.186 -22.929 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.953 -23.838 -6.160 1.00 0.00 H new ATOM 761 N ALA A 54 16.270 -20.739 -5.058 1.00 0.00 N ATOM 762 CA ALA A 54 14.977 -20.110 -4.819 1.00 0.00 C ATOM 763 C ALA A 54 13.834 -21.023 -5.247 1.00 0.00 C ATOM 764 O ALA A 54 12.837 -21.158 -4.539 1.00 0.00 O ATOM 765 CB ALA A 54 14.895 -18.779 -5.551 1.00 0.00 C ATOM 0 H ALA A 54 16.924 -20.168 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 54 14.881 -19.930 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.924 -18.320 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.684 -18.118 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.018 -18.944 -6.621 1.00 0.00 H new ATOM 771 N GLU A 55 13.987 -21.649 -6.410 1.00 0.00 N ATOM 772 CA GLU A 55 12.965 -22.549 -6.933 1.00 0.00 C ATOM 773 C GLU A 55 12.643 -23.649 -5.926 1.00 0.00 C ATOM 774 O GLU A 55 11.481 -23.879 -5.592 1.00 0.00 O ATOM 775 CB GLU A 55 13.428 -23.170 -8.252 1.00 0.00 C ATOM 776 CG GLU A 55 12.286 -23.657 -9.129 1.00 0.00 C ATOM 777 CD GLU A 55 12.735 -23.997 -10.537 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.877 -24.478 -10.696 1.00 0.00 O ATOM 779 OE2 GLU A 55 11.945 -23.781 -11.479 1.00 0.00 O ATOM 0 H GLU A 55 14.808 -21.550 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 55 12.061 -21.967 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.012 -22.434 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.092 -24.007 -8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.833 -24.538 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.514 -22.889 -9.173 1.00 0.00 H new ATOM 786 N SER A 56 13.681 -24.326 -5.446 1.00 0.00 N ATOM 787 CA SER A 56 13.510 -25.406 -4.480 1.00 0.00 C ATOM 788 C SER A 56 12.759 -24.916 -3.246 1.00 0.00 C ATOM 789 O SER A 56 11.910 -25.621 -2.701 1.00 0.00 O ATOM 790 CB SER A 56 14.870 -25.974 -4.072 1.00 0.00 C ATOM 791 OG SER A 56 15.307 -26.961 -4.991 1.00 0.00 O ATOM 0 H SER A 56 14.650 -24.146 -5.710 1.00 0.00 H new ATOM 0 HA SER A 56 12.923 -26.194 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.603 -25.169 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.802 -26.407 -3.074 1.00 0.00 H new ATOM 0 HG SER A 56 14.914 -27.827 -4.753 1.00 0.00 H new ATOM 797 N ALA A 57 13.079 -23.702 -2.809 1.00 0.00 N ATOM 798 CA ALA A 57 12.435 -23.116 -1.641 1.00 0.00 C ATOM 799 C ALA A 57 10.968 -22.806 -1.920 1.00 0.00 C ATOM 800 O ALA A 57 10.082 -23.229 -1.177 1.00 0.00 O ATOM 801 CB ALA A 57 13.169 -21.855 -1.210 1.00 0.00 C ATOM 0 H ALA A 57 13.781 -23.106 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 57 12.478 -23.844 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.677 -21.428 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.201 -22.102 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.156 -21.130 -2.024 1.00 0.00 H new ATOM 807 N ALA A 58 10.718 -22.066 -2.995 1.00 0.00 N ATOM 808 CA ALA A 58 9.359 -21.701 -3.373 1.00 0.00 C ATOM 809 C ALA A 58 8.462 -22.932 -3.453 1.00 0.00 C ATOM 810 O ALA A 58 7.290 -22.885 -3.077 1.00 0.00 O ATOM 811 CB ALA A 58 9.361 -20.960 -4.702 1.00 0.00 C ATOM 0 H ALA A 58 11.440 -21.707 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 58 8.959 -21.041 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.339 -20.694 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.960 -20.054 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.785 -21.601 -5.475 1.00 0.00 H new ATOM 817 N LYS A 59 9.020 -24.033 -3.944 1.00 0.00 N ATOM 818 CA LYS A 59 8.271 -25.278 -4.073 1.00 0.00 C ATOM 819 C LYS A 59 8.011 -25.901 -2.705 1.00 0.00 C ATOM 820 O LYS A 59 6.869 -26.199 -2.356 1.00 0.00 O ATOM 821 CB LYS A 59 9.035 -26.267 -4.958 1.00 0.00 C ATOM 822 CG LYS A 59 8.700 -26.144 -6.435 1.00 0.00 C ATOM 823 CD LYS A 59 7.378 -26.816 -6.765 1.00 0.00 C ATOM 824 CE LYS A 59 7.549 -28.314 -6.969 1.00 0.00 C ATOM 825 NZ LYS A 59 8.428 -28.618 -8.131 1.00 0.00 N ATOM 0 H LYS A 59 9.988 -24.089 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 59 7.312 -25.049 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.105 -26.112 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.816 -27.282 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.653 -25.091 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.496 -26.594 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.666 -26.636 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.957 -26.371 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.972 -28.757 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.573 -28.774 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.211 -29.569 -8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.265 -27.918 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.424 -28.580 -7.833 1.00 0.00 H new ATOM 839 N ALA A 60 9.077 -26.093 -1.935 1.00 0.00 N ATOM 840 CA ALA A 60 8.962 -26.676 -0.604 1.00 0.00 C ATOM 841 C ALA A 60 7.919 -25.940 0.230 1.00 0.00 C ATOM 842 O ALA A 60 7.247 -26.539 1.070 1.00 0.00 O ATOM 843 CB ALA A 60 10.312 -26.658 0.098 1.00 0.00 C ATOM 0 H ALA A 60 10.030 -25.853 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 60 8.636 -27.710 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.212 -27.096 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.032 -27.235 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.661 -25.629 0.189 1.00 0.00 H new ATOM 849 N ILE A 61 7.791 -24.639 -0.006 1.00 0.00 N ATOM 850 CA ILE A 61 6.829 -23.822 0.724 1.00 0.00 C ATOM 851 C ILE A 61 5.398 -24.237 0.401 1.00 0.00 C ATOM 852 O ILE A 61 4.545 -24.296 1.285 1.00 0.00 O ATOM 853 CB ILE A 61 7.003 -22.326 0.402 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.377 -21.838 0.867 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.897 -21.511 1.056 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.913 -20.679 0.056 1.00 0.00 C ATOM 0 H ILE A 61 8.341 -24.128 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 61 7.020 -23.982 1.785 1.00 0.00 H new ATOM 0 HB ILE A 61 6.937 -22.192 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.313 -21.540 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.084 -22.666 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.034 -20.456 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.929 -21.844 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.934 -21.648 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.889 -20.386 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.010 -20.979 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.226 -19.836 0.129 1.00 0.00 H new ATOM 868 N GLU A 62 5.144 -24.525 -0.872 1.00 0.00 N ATOM 869 CA GLU A 62 3.815 -24.935 -1.311 1.00 0.00 C ATOM 870 C GLU A 62 3.626 -26.440 -1.138 1.00 0.00 C ATOM 871 O GLU A 62 2.504 -26.943 -1.182 1.00 0.00 O ATOM 872 CB GLU A 62 3.595 -24.547 -2.774 1.00 0.00 C ATOM 873 CG GLU A 62 3.029 -23.148 -2.954 1.00 0.00 C ATOM 874 CD GLU A 62 1.593 -23.034 -2.481 1.00 0.00 C ATOM 875 OE1 GLU A 62 0.687 -23.463 -3.224 1.00 0.00 O ATOM 876 OE2 GLU A 62 1.377 -22.515 -1.365 1.00 0.00 O ATOM 0 H GLU A 62 5.840 -24.482 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 62 3.080 -24.420 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.544 -24.617 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.917 -25.266 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.646 -22.437 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.084 -22.871 -4.007 1.00 0.00 H new ATOM 883 N GLU A 63 4.733 -27.151 -0.944 1.00 0.00 N ATOM 884 CA GLU A 63 4.689 -28.598 -0.766 1.00 0.00 C ATOM 885 C GLU A 63 4.577 -28.961 0.711 1.00 0.00 C ATOM 886 O GLU A 63 3.556 -29.483 1.159 1.00 0.00 O ATOM 887 CB GLU A 63 5.937 -29.246 -1.370 1.00 0.00 C ATOM 888 CG GLU A 63 6.121 -28.951 -2.849 1.00 0.00 C ATOM 889 CD GLU A 63 5.597 -30.064 -3.736 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.365 -30.141 -3.924 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.419 -30.857 -4.241 1.00 0.00 O ATOM 0 H GLU A 63 5.670 -26.749 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 63 3.807 -28.976 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.816 -28.898 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.881 -30.325 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.608 -28.022 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.180 -28.795 -3.055 1.00 0.00 H new ATOM 898 N VAL A 64 5.637 -28.683 1.465 1.00 0.00 N ATOM 899 CA VAL A 64 5.659 -28.980 2.892 1.00 0.00 C ATOM 900 C VAL A 64 4.420 -28.428 3.588 1.00 0.00 C ATOM 901 O VAL A 64 3.902 -29.031 4.528 1.00 0.00 O ATOM 902 CB VAL A 64 6.915 -28.398 3.567 1.00 0.00 C ATOM 903 CG1 VAL A 64 7.012 -28.867 5.011 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.164 -28.783 2.788 1.00 0.00 C ATOM 0 H VAL A 64 6.491 -28.253 1.111 1.00 0.00 H new ATOM 0 HA VAL A 64 5.673 -30.066 2.989 1.00 0.00 H new ATOM 0 HB VAL A 64 6.835 -27.311 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.906 -28.446 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.131 -28.537 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.069 -29.955 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.042 -28.364 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.251 -29.869 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.094 -28.393 1.773 1.00 0.00 H new ATOM 914 N HIS A 65 3.948 -27.277 3.119 1.00 0.00 N ATOM 915 CA HIS A 65 2.768 -26.643 3.696 1.00 0.00 C ATOM 916 C HIS A 65 1.577 -27.596 3.679 1.00 0.00 C ATOM 917 O HIS A 65 1.160 -28.066 2.621 1.00 0.00 O ATOM 918 CB HIS A 65 2.424 -25.365 2.930 1.00 0.00 C ATOM 919 CG HIS A 65 1.112 -24.763 3.327 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.689 -24.678 4.637 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.127 -24.213 2.579 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.500 -24.103 4.677 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.863 -23.811 3.441 1.00 0.00 N ATOM 0 H HIS A 65 4.364 -26.765 2.341 1.00 0.00 H new ATOM 0 HA HIS A 65 2.992 -26.388 4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.214 -24.631 3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.405 -25.585 1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.121 -24.110 1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.077 -23.905 5.568 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.737 -23.360 3.171 1.00 0.00 H new ATOM 931 N GLY A 66 1.033 -27.877 4.860 1.00 0.00 N ATOM 932 CA GLY A 66 -0.104 -28.773 4.958 1.00 0.00 C ATOM 933 C GLY A 66 0.311 -30.215 5.177 1.00 0.00 C ATOM 934 O GLY A 66 -0.525 -31.118 5.166 1.00 0.00 O ATOM 0 H GLY A 66 1.360 -27.500 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.744 -28.454 5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.697 -28.703 4.046 1.00 0.00 H new ATOM 938 N LYS A 67 1.607 -30.432 5.375 1.00 0.00 N ATOM 939 CA LYS A 67 2.133 -31.774 5.596 1.00 0.00 C ATOM 940 C LYS A 67 1.690 -32.315 6.952 1.00 0.00 C ATOM 941 O LYS A 67 0.951 -31.656 7.682 1.00 0.00 O ATOM 942 CB LYS A 67 3.661 -31.765 5.514 1.00 0.00 C ATOM 943 CG LYS A 67 4.194 -31.867 4.095 1.00 0.00 C ATOM 944 CD LYS A 67 3.990 -33.259 3.521 1.00 0.00 C ATOM 945 CE LYS A 67 2.767 -33.316 2.619 1.00 0.00 C ATOM 946 NZ LYS A 67 2.932 -34.309 1.522 1.00 0.00 N ATOM 0 H LYS A 67 2.313 -29.695 5.387 1.00 0.00 H new ATOM 0 HA LYS A 67 1.737 -32.425 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.036 -30.848 5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.053 -32.595 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.691 -31.135 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.256 -31.621 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.874 -33.554 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.877 -33.976 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.890 -33.573 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.585 -32.330 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.077 -34.317 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.754 -34.050 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.080 -35.254 1.929 1.00 0.00 H new ATOM 960 N SER A 68 2.148 -33.518 7.282 1.00 0.00 N ATOM 961 CA SER A 68 1.796 -34.149 8.549 1.00 0.00 C ATOM 962 C SER A 68 3.049 -34.547 9.324 1.00 0.00 C ATOM 963 O SER A 68 4.017 -35.044 8.748 1.00 0.00 O ATOM 964 CB SER A 68 0.922 -35.380 8.305 1.00 0.00 C ATOM 965 OG SER A 68 1.512 -36.244 7.350 1.00 0.00 O ATOM 0 H SER A 68 2.764 -34.075 6.690 1.00 0.00 H new ATOM 0 HA SER A 68 1.236 -33.427 9.143 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.774 -35.916 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.063 -35.067 7.958 1.00 0.00 H new ATOM 0 HG SER A 68 0.934 -37.024 7.213 1.00 0.00 H new ATOM 971 N PHE A 69 3.023 -34.323 10.634 1.00 0.00 N ATOM 972 CA PHE A 69 4.156 -34.656 11.489 1.00 0.00 C ATOM 973 C PHE A 69 3.797 -34.479 12.961 1.00 0.00 C ATOM 974 O PHE A 69 3.161 -33.496 13.342 1.00 0.00 O ATOM 975 CB PHE A 69 5.362 -33.783 11.137 1.00 0.00 C ATOM 976 CG PHE A 69 6.617 -34.172 11.865 1.00 0.00 C ATOM 977 CD1 PHE A 69 7.412 -35.206 11.398 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.002 -33.504 13.016 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.566 -35.567 12.066 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.156 -33.860 13.689 1.00 0.00 C ATOM 981 CZ PHE A 69 8.939 -34.893 13.212 1.00 0.00 C ATOM 0 H PHE A 69 2.230 -33.912 11.126 1.00 0.00 H new ATOM 0 HA PHE A 69 4.412 -35.702 11.319 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.541 -33.841 10.063 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.127 -32.743 11.365 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.126 -35.736 10.501 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.393 -32.695 13.392 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.176 -36.376 11.692 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.445 -33.332 14.586 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.842 -35.173 13.735 1.00 0.00 H new ATOM 991 N ALA A 70 4.208 -35.438 13.784 1.00 0.00 N ATOM 992 CA ALA A 70 3.931 -35.388 15.214 1.00 0.00 C ATOM 993 C ALA A 70 2.431 -35.358 15.483 1.00 0.00 C ATOM 994 O ALA A 70 1.973 -34.730 16.436 1.00 0.00 O ATOM 995 CB ALA A 70 4.605 -34.176 15.840 1.00 0.00 C ATOM 0 H ALA A 70 4.734 -36.259 13.485 1.00 0.00 H new ATOM 0 HA ALA A 70 4.337 -36.292 15.669 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.390 -34.151 16.908 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.683 -34.240 15.688 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.226 -33.267 15.372 1.00 0.00 H new ATOM 1001 N ASN A 71 1.669 -36.041 14.634 1.00 0.00 N ATOM 1002 CA ASN A 71 0.218 -36.091 14.779 1.00 0.00 C ATOM 1003 C ASN A 71 -0.385 -34.692 14.700 1.00 0.00 C ATOM 1004 O ASN A 71 -1.336 -34.375 15.414 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.159 -36.747 16.109 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.139 -38.262 16.033 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.188 -38.906 15.993 1.00 0.00 O ATOM 1008 ND2 ASN A 71 1.057 -38.837 16.014 1.00 0.00 N ATOM 0 H ASN A 71 2.032 -36.567 13.839 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.184 -36.687 13.960 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.533 -36.416 16.883 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.153 -36.414 16.406 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.134 -39.853 15.964 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.899 -38.263 16.049 1.00 0.00 H new ATOM 1015 N GLN A 72 0.174 -33.861 13.827 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.309 -32.496 13.654 1.00 0.00 C ATOM 1017 C GLN A 72 0.063 -31.957 12.277 1.00 0.00 C ATOM 1018 O GLN A 72 1.093 -32.310 11.703 1.00 0.00 O ATOM 1019 CB GLN A 72 0.266 -31.588 14.743 1.00 0.00 C ATOM 1020 CG GLN A 72 1.573 -30.919 14.349 1.00 0.00 C ATOM 1021 CD GLN A 72 2.495 -30.699 15.532 1.00 0.00 C ATOM 1022 OE1 GLN A 72 2.739 -31.611 16.322 1.00 0.00 O ATOM 1023 NE2 GLN A 72 3.013 -29.483 15.660 1.00 0.00 N ATOM 0 H GLN A 72 0.962 -34.109 13.228 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.396 -32.508 13.737 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.467 -30.819 14.988 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.426 -32.175 15.647 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.082 -31.533 13.606 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.358 -29.960 13.877 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.783 -28.757 14.981 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.641 -29.275 16.437 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.795 -31.082 11.732 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.578 -30.475 10.416 1.00 0.00 C ATOM 1034 C PRO A 73 0.583 -29.486 10.417 1.00 0.00 C ATOM 1035 O PRO A 73 0.602 -28.538 11.203 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.897 -29.751 10.137 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.468 -29.470 11.484 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.043 -30.616 12.360 1.00 0.00 C ATOM 0 HA PRO A 73 -0.317 -31.218 9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.732 -28.830 9.577 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.570 -30.369 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.098 -28.522 11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.554 -29.395 11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.880 -30.296 13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.797 -31.402 12.387 1.00 0.00 H new ATOM 1046 N LEU A 74 1.548 -29.713 9.533 1.00 0.00 N ATOM 1047 CA LEU A 74 2.713 -28.841 9.432 1.00 0.00 C ATOM 1048 C LEU A 74 2.365 -27.551 8.696 1.00 0.00 C ATOM 1049 O LEU A 74 1.324 -27.457 8.047 1.00 0.00 O ATOM 1050 CB LEU A 74 3.853 -29.562 8.711 1.00 0.00 C ATOM 1051 CG LEU A 74 4.701 -30.502 9.568 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.788 -31.155 8.729 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.311 -29.750 10.742 1.00 0.00 C ATOM 0 H LEU A 74 1.547 -30.493 8.876 1.00 0.00 H new ATOM 0 HA LEU A 74 3.034 -28.586 10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.429 -30.137 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.510 -28.812 8.271 1.00 0.00 H new ATOM 0 HG LEU A 74 4.054 -31.286 9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.381 -31.820 9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.330 -31.728 7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.433 -30.385 8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.911 -30.435 11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.944 -28.945 10.369 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.516 -29.331 11.358 1.00 0.00 H new ATOM 1065 N GLU A 75 3.246 -26.560 8.801 1.00 0.00 N ATOM 1066 CA GLU A 75 3.031 -25.276 8.144 1.00 0.00 C ATOM 1067 C GLU A 75 4.362 -24.618 7.789 1.00 0.00 C ATOM 1068 O GLU A 75 5.251 -24.497 8.631 1.00 0.00 O ATOM 1069 CB GLU A 75 2.214 -24.347 9.044 1.00 0.00 C ATOM 1070 CG GLU A 75 2.061 -22.941 8.488 1.00 0.00 C ATOM 1071 CD GLU A 75 0.944 -22.167 9.160 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.514 -22.579 10.258 1.00 0.00 O ATOM 1073 OE2 GLU A 75 0.498 -21.150 8.588 1.00 0.00 O ATOM 0 H GLU A 75 4.114 -26.622 9.334 1.00 0.00 H new ATOM 0 HA GLU A 75 2.477 -25.456 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.225 -24.779 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.690 -24.292 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.999 -22.401 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.866 -22.997 7.417 1.00 0.00 H new ATOM 1080 N VAL A 76 4.490 -24.195 6.535 1.00 0.00 N ATOM 1081 CA VAL A 76 5.711 -23.548 6.068 1.00 0.00 C ATOM 1082 C VAL A 76 5.393 -22.356 5.172 1.00 0.00 C ATOM 1083 O VAL A 76 4.468 -22.405 4.361 1.00 0.00 O ATOM 1084 CB VAL A 76 6.607 -24.533 5.295 1.00 0.00 C ATOM 1085 CG1 VAL A 76 8.000 -23.953 5.106 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.671 -25.872 6.014 1.00 0.00 C ATOM 0 H VAL A 76 3.764 -24.289 5.825 1.00 0.00 H new ATOM 0 HA VAL A 76 6.244 -23.201 6.953 1.00 0.00 H new ATOM 0 HB VAL A 76 6.171 -24.696 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.619 -24.663 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.933 -23.021 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.448 -23.758 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.309 -26.556 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.082 -25.729 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.668 -26.292 6.091 1.00 0.00 H new ATOM 1096 N VAL A 77 6.167 -21.286 5.323 1.00 0.00 N ATOM 1097 CA VAL A 77 5.969 -20.081 4.526 1.00 0.00 C ATOM 1098 C VAL A 77 7.300 -19.413 4.202 1.00 0.00 C ATOM 1099 O VAL A 77 8.345 -19.799 4.727 1.00 0.00 O ATOM 1100 CB VAL A 77 5.063 -19.070 5.254 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.742 -19.717 5.640 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.769 -18.507 6.478 1.00 0.00 C ATOM 0 H VAL A 77 6.937 -21.229 5.990 1.00 0.00 H new ATOM 0 HA VAL A 77 5.485 -20.389 3.599 1.00 0.00 H new ATOM 0 HB VAL A 77 4.850 -18.245 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.116 -18.987 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.232 -20.066 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.931 -20.562 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.114 -17.795 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.014 -19.319 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.685 -18.003 6.170 1.00 0.00 H new ATOM 1112 N TYR A 78 7.255 -18.408 3.334 1.00 0.00 N ATOM 1113 CA TYR A 78 8.458 -17.687 2.937 1.00 0.00 C ATOM 1114 C TYR A 78 8.957 -16.795 4.070 1.00 0.00 C ATOM 1115 O TYR A 78 8.391 -15.735 4.336 1.00 0.00 O ATOM 1116 CB TYR A 78 8.184 -16.842 1.691 1.00 0.00 C ATOM 1117 CG TYR A 78 8.881 -17.351 0.449 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.260 -17.520 0.424 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.161 -17.660 -0.698 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.901 -17.984 -0.709 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.794 -18.125 -1.834 1.00 0.00 C ATOM 1122 CZ TYR A 78 10.164 -18.285 -1.835 1.00 0.00 C ATOM 1123 OH TYR A 78 10.798 -18.747 -2.965 1.00 0.00 O ATOM 0 H TYR A 78 6.398 -18.075 2.892 1.00 0.00 H new ATOM 0 HA TYR A 78 9.231 -18.420 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.110 -16.815 1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.501 -15.816 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.840 -17.285 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.088 -17.535 -0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.974 -18.110 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.219 -18.362 -2.717 1.00 0.00 H new ATOM 0 HH TYR A 78 11.603 -19.243 -2.709 1.00 0.00 H new ATOM 1133 N SER A 79 10.023 -17.233 4.733 1.00 0.00 N ATOM 1134 CA SER A 79 10.598 -16.478 5.840 1.00 0.00 C ATOM 1135 C SER A 79 10.823 -15.022 5.444 1.00 0.00 C ATOM 1136 O SER A 79 11.531 -14.729 4.480 1.00 0.00 O ATOM 1137 CB SER A 79 11.920 -17.108 6.283 1.00 0.00 C ATOM 1138 OG SER A 79 11.888 -18.517 6.135 1.00 0.00 O ATOM 0 H SER A 79 10.506 -18.107 4.523 1.00 0.00 H new ATOM 0 HA SER A 79 9.894 -16.506 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.739 -16.696 5.693 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.117 -16.853 7.324 1.00 0.00 H new ATOM 0 HG SER A 79 12.675 -18.909 6.568 1.00 0.00 H new ATOM 1144 N LYS A 80 10.215 -14.110 6.197 1.00 0.00 N ATOM 1145 CA LYS A 80 10.349 -12.683 5.928 1.00 0.00 C ATOM 1146 C LYS A 80 11.739 -12.186 6.309 1.00 0.00 C ATOM 1147 O LYS A 80 12.313 -11.336 5.627 1.00 0.00 O ATOM 1148 CB LYS A 80 9.285 -11.897 6.698 1.00 0.00 C ATOM 1149 CG LYS A 80 9.250 -12.215 8.183 1.00 0.00 C ATOM 1150 CD LYS A 80 8.311 -11.283 8.930 1.00 0.00 C ATOM 1151 CE LYS A 80 8.613 -11.265 10.421 1.00 0.00 C ATOM 1152 NZ LYS A 80 9.688 -10.290 10.757 1.00 0.00 N ATOM 0 H LYS A 80 9.625 -14.334 6.998 1.00 0.00 H new ATOM 0 HA LYS A 80 10.207 -12.524 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.468 -10.830 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.306 -12.108 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.931 -13.247 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.254 -12.131 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.401 -10.274 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.280 -11.599 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.707 -11.011 10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.913 -12.262 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.865 -10.307 11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.560 -10.546 10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.391 -9.335 10.473 1.00 0.00 H new TER 1166 LYS A 80