USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 999 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 34 HIS : no HE2:sc= 0.482 K(o=1.5,f=-8.6!) USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0.979 USER MOD Set 2.1: A 74 SER OG : rot 170:sc= 0.0443 USER MOD Set 2.2: A 88 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Set 3.1: A 71 MET CE :methyl -141:sc= -0.046 (180deg=-0.315) USER MOD Set 3.2: A 87 CYS SG : rot 11:sc= -5.95! USER MOD Set 4.1: A 24 GLN : amide:sc= 0.905 K(o=1.2,f=-8.7!) USER MOD Set 4.2: A 50 ASN : amide:sc= 0.264 K(o=1.2,f=-2!) USER MOD Set 5.1: A 45 GLN : amide:sc= -0.745 K(o=-0.31,f=-5.5!) USER MOD Set 5.2: A 47 GLN : amide:sc= 0.439! K(o=-0.31!,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0267 (180deg=-0.235) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-1.2) USER MOD Single : A 12 HIS : no HE2:sc= -0.621! C(o=-0.62!,f=-6.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.314 USER MOD Single : A 39 HIS : no HE2:sc= -4.14! C(o=-4.1!,f=-9.9!) USER MOD Single : A 54 GLN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 62 TYR OH : rot -150:sc= 1.28 USER MOD Single : A 89 HIS : no HD1:sc= 0.472 K(o=0.47,f=-5!) USER MOD Single : A 94 SER OG : rot -170:sc= -1.95! USER MOD Single : A 96 SER OG : rot 73:sc= 1.25 USER MOD Single : A 97 HIS : no HD1:sc= -0.396 K(o=-0.4,f=-2.7!) USER MOD Single : A 105 ASN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.724 K(o=-0.72,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.952 26.616 -23.970 1.00 0.00 N ATOM 2 CA MET A 1 18.016 26.164 -25.019 1.00 0.00 C ATOM 3 C MET A 1 18.501 24.864 -25.635 1.00 0.00 C ATOM 4 O MET A 1 19.145 24.854 -26.685 1.00 0.00 O ATOM 5 CB MET A 1 17.854 27.237 -26.098 1.00 0.00 C ATOM 6 CG MET A 1 17.246 28.528 -25.579 1.00 0.00 C ATOM 7 SD MET A 1 17.121 29.809 -26.842 1.00 0.00 S ATOM 8 CE MET A 1 16.433 31.151 -25.874 1.00 0.00 C ATOM 0 H1 MET A 1 18.496 27.349 -23.390 1.00 0.00 H new ATOM 0 H2 MET A 1 19.213 25.810 -23.367 1.00 0.00 H new ATOM 0 H3 MET A 1 19.807 27.008 -24.413 1.00 0.00 H new ATOM 0 HA MET A 1 17.043 25.991 -24.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.829 27.453 -26.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.227 26.845 -26.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.253 28.321 -25.181 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.850 28.900 -24.751 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.293 32.025 -26.511 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.472 30.846 -25.460 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.115 31.400 -25.061 1.00 0.00 H new ATOM 18 N SER A 2 18.214 23.770 -24.951 1.00 0.00 N ATOM 19 CA SER A 2 18.597 22.447 -25.412 1.00 0.00 C ATOM 20 C SER A 2 17.482 21.453 -25.096 1.00 0.00 C ATOM 21 O SER A 2 17.708 20.243 -25.029 1.00 0.00 O ATOM 22 CB SER A 2 19.904 22.025 -24.736 1.00 0.00 C ATOM 23 OG SER A 2 20.930 22.985 -24.962 1.00 0.00 O ATOM 0 H SER A 2 17.711 23.773 -24.064 1.00 0.00 H new ATOM 0 HA SER A 2 18.754 22.465 -26.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.741 21.907 -23.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.219 21.054 -25.119 1.00 0.00 H new ATOM 0 HG SER A 2 21.754 22.693 -24.519 1.00 0.00 H new ATOM 29 N ASP A 3 16.273 21.983 -24.929 1.00 0.00 N ATOM 30 CA ASP A 3 15.118 21.185 -24.519 1.00 0.00 C ATOM 31 C ASP A 3 13.846 22.028 -24.559 1.00 0.00 C ATOM 32 O ASP A 3 12.752 21.506 -24.765 1.00 0.00 O ATOM 33 CB ASP A 3 15.309 20.611 -23.104 1.00 0.00 C ATOM 34 CG ASP A 3 15.325 21.683 -22.030 1.00 0.00 C ATOM 35 OD1 ASP A 3 14.327 21.810 -21.294 1.00 0.00 O ATOM 36 OD2 ASP A 3 16.336 22.404 -21.923 1.00 0.00 O ATOM 0 H ASP A 3 16.066 22.971 -25.073 1.00 0.00 H new ATOM 0 HA ASP A 3 15.026 20.356 -25.220 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.507 19.904 -22.893 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.244 20.052 -23.067 1.00 0.00 H new ATOM 41 N GLN A 4 13.997 23.336 -24.352 1.00 0.00 N ATOM 42 CA GLN A 4 12.867 24.258 -24.413 1.00 0.00 C ATOM 43 C GLN A 4 12.311 24.335 -25.829 1.00 0.00 C ATOM 44 O GLN A 4 12.892 24.979 -26.702 1.00 0.00 O ATOM 45 CB GLN A 4 13.276 25.655 -23.939 1.00 0.00 C ATOM 46 CG GLN A 4 13.598 25.729 -22.457 1.00 0.00 C ATOM 47 CD GLN A 4 14.026 27.118 -22.030 1.00 0.00 C ATOM 48 OE1 GLN A 4 15.212 27.447 -22.040 1.00 0.00 O ATOM 49 NE2 GLN A 4 13.065 27.945 -21.655 1.00 0.00 N ATOM 0 H GLN A 4 14.891 23.779 -24.141 1.00 0.00 H new ATOM 0 HA GLN A 4 12.091 23.877 -23.749 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.147 25.981 -24.507 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.470 26.355 -24.162 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.722 25.428 -21.882 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.392 25.019 -22.224 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.094 27.634 -21.661 1.00 0.00 H new ATOM 0 HE22 GLN A 4 13.295 28.894 -21.360 1.00 0.00 H new ATOM 58 N HIS A 5 11.196 23.662 -26.046 1.00 0.00 N ATOM 59 CA HIS A 5 10.562 23.613 -27.349 1.00 0.00 C ATOM 60 C HIS A 5 9.050 23.718 -27.167 1.00 0.00 C ATOM 61 O HIS A 5 8.550 23.483 -26.068 1.00 0.00 O ATOM 62 CB HIS A 5 10.953 22.300 -28.052 1.00 0.00 C ATOM 63 CG HIS A 5 10.415 22.145 -29.444 1.00 0.00 C ATOM 64 ND1 HIS A 5 9.847 20.976 -29.906 1.00 0.00 N ATOM 65 CD2 HIS A 5 10.363 23.019 -30.481 1.00 0.00 C ATOM 66 CE1 HIS A 5 9.466 21.138 -31.160 1.00 0.00 C ATOM 67 NE2 HIS A 5 9.766 22.368 -31.532 1.00 0.00 N ATOM 0 H HIS A 5 10.705 23.135 -25.324 1.00 0.00 H new ATOM 0 HA HIS A 5 10.894 24.444 -27.971 1.00 0.00 H new ATOM 0 HB2 HIS A 5 12.040 22.234 -28.089 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.603 21.463 -27.448 1.00 0.00 H new ATOM 0 HD2 HIS A 5 10.724 24.037 -30.480 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.990 20.390 -31.777 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.584 22.770 -32.452 1.00 0.00 H new ATOM 76 N ASP A 6 8.335 24.107 -28.227 1.00 0.00 N ATOM 77 CA ASP A 6 6.870 24.188 -28.190 1.00 0.00 C ATOM 78 C ASP A 6 6.291 22.886 -27.663 1.00 0.00 C ATOM 79 O ASP A 6 5.381 22.877 -26.832 1.00 0.00 O ATOM 80 CB ASP A 6 6.306 24.464 -29.586 1.00 0.00 C ATOM 81 CG ASP A 6 6.890 25.707 -30.214 1.00 0.00 C ATOM 82 OD1 ASP A 6 6.445 26.820 -29.868 1.00 0.00 O ATOM 83 OD2 ASP A 6 7.798 25.576 -31.062 1.00 0.00 O ATOM 0 H ASP A 6 8.746 24.371 -29.122 1.00 0.00 H new ATOM 0 HA ASP A 6 6.591 25.008 -27.528 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.506 23.608 -30.230 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.223 24.569 -29.522 1.00 0.00 H new ATOM 88 N GLU A 7 6.834 21.788 -28.162 1.00 0.00 N ATOM 89 CA GLU A 7 6.508 20.473 -27.652 1.00 0.00 C ATOM 90 C GLU A 7 7.196 20.269 -26.307 1.00 0.00 C ATOM 91 O GLU A 7 8.419 20.151 -26.241 1.00 0.00 O ATOM 92 CB GLU A 7 6.957 19.404 -28.645 1.00 0.00 C ATOM 93 CG GLU A 7 6.648 17.982 -28.211 1.00 0.00 C ATOM 94 CD GLU A 7 7.201 16.962 -29.179 1.00 0.00 C ATOM 95 OE1 GLU A 7 6.494 16.613 -30.150 1.00 0.00 O ATOM 96 OE2 GLU A 7 8.348 16.517 -28.982 1.00 0.00 O ATOM 0 H GLU A 7 7.509 21.786 -28.927 1.00 0.00 H new ATOM 0 HA GLU A 7 5.429 20.390 -27.518 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.477 19.591 -29.605 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.031 19.499 -28.802 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.067 17.806 -27.220 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.569 17.855 -28.128 1.00 0.00 H new ATOM 103 N ARG A 8 6.410 20.260 -25.243 1.00 0.00 N ATOM 104 CA ARG A 8 6.944 20.094 -23.899 1.00 0.00 C ATOM 105 C ARG A 8 6.619 18.704 -23.372 1.00 0.00 C ATOM 106 O ARG A 8 7.514 17.924 -23.049 1.00 0.00 O ATOM 107 CB ARG A 8 6.365 21.160 -22.967 1.00 0.00 C ATOM 108 CG ARG A 8 6.795 22.576 -23.319 1.00 0.00 C ATOM 109 CD ARG A 8 5.849 23.610 -22.724 1.00 0.00 C ATOM 110 NE ARG A 8 4.526 23.549 -23.347 1.00 0.00 N ATOM 111 CZ ARG A 8 3.493 24.324 -23.012 1.00 0.00 C ATOM 112 NH1 ARG A 8 3.608 25.225 -22.042 1.00 0.00 N ATOM 113 NH2 ARG A 8 2.342 24.187 -23.653 1.00 0.00 N ATOM 0 H ARG A 8 5.396 20.366 -25.283 1.00 0.00 H new ATOM 0 HA ARG A 8 8.027 20.210 -23.935 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.277 21.102 -22.995 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.670 20.940 -21.944 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.806 22.752 -22.952 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.825 22.690 -24.403 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.755 23.443 -21.651 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.269 24.607 -22.856 1.00 0.00 H new ATOM 0 HE ARG A 8 4.384 22.865 -24.090 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.493 25.329 -21.545 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.812 25.812 -21.794 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.251 23.494 -24.396 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.546 24.775 -23.404 1.00 0.00 H new ATOM 127 N ARG A 9 5.330 18.399 -23.288 1.00 0.00 N ATOM 128 CA ARG A 9 4.871 17.092 -22.841 1.00 0.00 C ATOM 129 C ARG A 9 3.745 16.606 -23.746 1.00 0.00 C ATOM 130 O ARG A 9 2.605 17.045 -23.617 1.00 0.00 O ATOM 131 CB ARG A 9 4.380 17.150 -21.387 1.00 0.00 C ATOM 132 CG ARG A 9 5.451 17.533 -20.377 1.00 0.00 C ATOM 133 CD ARG A 9 6.530 16.469 -20.262 1.00 0.00 C ATOM 134 NE ARG A 9 7.551 16.831 -19.283 1.00 0.00 N ATOM 135 CZ ARG A 9 8.121 15.972 -18.444 1.00 0.00 C ATOM 136 NH1 ARG A 9 7.812 14.681 -18.489 1.00 0.00 N ATOM 137 NH2 ARG A 9 9.019 16.400 -17.572 1.00 0.00 N ATOM 0 H ARG A 9 4.579 19.046 -23.526 1.00 0.00 H new ATOM 0 HA ARG A 9 5.709 16.397 -22.893 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.562 17.868 -21.321 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.973 16.176 -21.115 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.905 18.480 -20.671 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.990 17.689 -19.402 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.075 15.520 -19.978 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.997 16.320 -21.235 1.00 0.00 H new ATOM 0 HE ARG A 9 7.846 17.806 -19.240 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.133 14.343 -19.171 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.254 14.028 -17.842 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.273 17.388 -17.544 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.458 15.742 -16.927 1.00 0.00 H new ATOM 151 N ARG A 10 4.065 15.706 -24.668 1.00 0.00 N ATOM 152 CA ARG A 10 3.076 15.214 -25.626 1.00 0.00 C ATOM 153 C ARG A 10 2.416 13.931 -25.121 1.00 0.00 C ATOM 154 O ARG A 10 1.681 13.263 -25.848 1.00 0.00 O ATOM 155 CB ARG A 10 3.722 14.992 -26.997 1.00 0.00 C ATOM 156 CG ARG A 10 4.914 14.047 -26.982 1.00 0.00 C ATOM 157 CD ARG A 10 5.575 13.985 -28.349 1.00 0.00 C ATOM 158 NE ARG A 10 6.732 13.092 -28.375 1.00 0.00 N ATOM 159 CZ ARG A 10 7.616 13.053 -29.375 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.549 13.942 -30.360 1.00 0.00 N ATOM 161 NH2 ARG A 10 8.594 12.159 -29.366 1.00 0.00 N ATOM 0 H ARG A 10 4.996 15.302 -24.775 1.00 0.00 H new ATOM 0 HA ARG A 10 2.298 15.970 -25.732 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.970 14.598 -27.681 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.042 15.955 -27.395 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.638 14.380 -26.238 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.589 13.050 -26.685 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.845 13.650 -29.086 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.888 14.987 -28.643 1.00 0.00 H new ATOM 0 HE ARG A 10 6.872 12.463 -27.584 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.821 14.656 -30.353 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.225 13.910 -31.123 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.673 11.498 -28.594 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.267 12.132 -30.132 1.00 0.00 H new ATOM 175 N PHE A 11 2.682 13.604 -23.865 1.00 0.00 N ATOM 176 CA PHE A 11 2.087 12.441 -23.226 1.00 0.00 C ATOM 177 C PHE A 11 1.855 12.742 -21.750 1.00 0.00 C ATOM 178 O PHE A 11 2.801 12.803 -20.967 1.00 0.00 O ATOM 179 CB PHE A 11 2.999 11.221 -23.402 1.00 0.00 C ATOM 180 CG PHE A 11 2.401 9.929 -22.916 1.00 0.00 C ATOM 181 CD1 PHE A 11 2.965 9.246 -21.852 1.00 0.00 C ATOM 182 CD2 PHE A 11 1.277 9.397 -23.528 1.00 0.00 C ATOM 183 CE1 PHE A 11 2.422 8.058 -21.406 1.00 0.00 C ATOM 184 CE2 PHE A 11 0.729 8.208 -23.086 1.00 0.00 C ATOM 185 CZ PHE A 11 1.302 7.537 -22.025 1.00 0.00 C ATOM 0 H PHE A 11 3.313 14.134 -23.264 1.00 0.00 H new ATOM 0 HA PHE A 11 1.128 12.214 -23.692 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.250 11.118 -24.458 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.933 11.399 -22.869 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.841 9.648 -21.365 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.825 9.917 -24.359 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.872 7.536 -20.574 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.147 7.804 -23.571 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.876 6.607 -21.679 1.00 0.00 H new ATOM 195 N HIS A 12 0.600 12.953 -21.379 1.00 0.00 N ATOM 196 CA HIS A 12 0.264 13.372 -20.022 1.00 0.00 C ATOM 197 C HIS A 12 -0.314 12.215 -19.213 1.00 0.00 C ATOM 198 O HIS A 12 -1.412 12.310 -18.656 1.00 0.00 O ATOM 199 CB HIS A 12 -0.722 14.545 -20.049 1.00 0.00 C ATOM 200 CG HIS A 12 -0.110 15.841 -20.485 1.00 0.00 C ATOM 201 ND1 HIS A 12 0.658 16.629 -19.654 1.00 0.00 N ATOM 202 CD2 HIS A 12 -0.166 16.495 -21.669 1.00 0.00 C ATOM 203 CE1 HIS A 12 1.043 17.707 -20.303 1.00 0.00 C ATOM 204 NE2 HIS A 12 0.560 17.653 -21.527 1.00 0.00 N ATOM 0 H HIS A 12 -0.204 12.841 -21.997 1.00 0.00 H new ATOM 0 HA HIS A 12 1.184 13.698 -19.537 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.546 14.299 -20.719 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.148 14.672 -19.054 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.892 16.410 -18.686 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.684 16.168 -22.558 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.652 18.502 -19.900 1.00 0.00 H new ATOM 213 N ARG A 13 0.435 11.125 -19.154 1.00 0.00 N ATOM 214 CA ARG A 13 0.039 9.954 -18.387 1.00 0.00 C ATOM 215 C ARG A 13 1.254 9.284 -17.774 1.00 0.00 C ATOM 216 O ARG A 13 2.285 9.132 -18.428 1.00 0.00 O ATOM 217 CB ARG A 13 -0.715 8.955 -19.262 1.00 0.00 C ATOM 218 CG ARG A 13 -2.210 9.205 -19.311 1.00 0.00 C ATOM 219 CD ARG A 13 -2.914 8.214 -20.215 1.00 0.00 C ATOM 220 NE ARG A 13 -4.354 8.238 -19.996 1.00 0.00 N ATOM 221 CZ ARG A 13 -5.246 8.640 -20.893 1.00 0.00 C ATOM 222 NH1 ARG A 13 -4.860 9.081 -22.083 1.00 0.00 N ATOM 223 NH2 ARG A 13 -6.531 8.614 -20.590 1.00 0.00 N ATOM 0 H ARG A 13 1.330 11.027 -19.634 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.625 10.287 -17.589 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.314 8.995 -20.275 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.535 7.947 -18.888 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.624 9.137 -18.305 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.398 10.218 -19.665 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.697 8.449 -21.257 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.531 7.211 -20.029 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.701 7.924 -19.090 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.868 9.114 -22.317 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.555 9.387 -22.764 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.832 8.287 -19.672 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.223 8.921 -21.274 1.00 0.00 H new ATOM 237 N ILE A 14 1.134 8.887 -16.518 1.00 0.00 N ATOM 238 CA ILE A 14 2.227 8.228 -15.833 1.00 0.00 C ATOM 239 C ILE A 14 2.086 6.713 -15.913 1.00 0.00 C ATOM 240 O ILE A 14 1.469 6.078 -15.060 1.00 0.00 O ATOM 241 CB ILE A 14 2.340 8.678 -14.358 1.00 0.00 C ATOM 242 CG1 ILE A 14 0.959 8.687 -13.682 1.00 0.00 C ATOM 243 CG2 ILE A 14 2.990 10.050 -14.276 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.985 9.143 -12.239 1.00 0.00 C ATOM 0 H ILE A 14 0.292 9.010 -15.956 1.00 0.00 H new ATOM 0 HA ILE A 14 3.145 8.523 -16.341 1.00 0.00 H new ATOM 0 HB ILE A 14 2.969 7.964 -13.826 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.293 9.339 -14.247 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.536 7.683 -13.728 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.064 10.356 -13.232 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.988 10.007 -14.713 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.385 10.773 -14.824 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.026 9.122 -11.832 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.623 8.477 -11.658 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.376 10.159 -12.185 1.00 0.00 H new ATOM 256 N ALA A 15 2.649 6.144 -16.964 1.00 0.00 N ATOM 257 CA ALA A 15 2.681 4.704 -17.122 1.00 0.00 C ATOM 258 C ALA A 15 4.123 4.229 -17.087 1.00 0.00 C ATOM 259 O ALA A 15 4.794 4.138 -18.117 1.00 0.00 O ATOM 260 CB ALA A 15 1.984 4.273 -18.405 1.00 0.00 C ATOM 0 H ALA A 15 3.092 6.662 -17.723 1.00 0.00 H new ATOM 0 HA ALA A 15 2.137 4.243 -16.298 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.025 3.187 -18.494 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.943 4.596 -18.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.484 4.727 -19.261 1.00 0.00 H new ATOM 266 N PHE A 16 4.606 3.985 -15.882 1.00 0.00 N ATOM 267 CA PHE A 16 5.989 3.598 -15.670 1.00 0.00 C ATOM 268 C PHE A 16 6.149 2.088 -15.753 1.00 0.00 C ATOM 269 O PHE A 16 5.203 1.335 -15.514 1.00 0.00 O ATOM 270 CB PHE A 16 6.483 4.120 -14.314 1.00 0.00 C ATOM 271 CG PHE A 16 5.499 3.929 -13.191 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.486 2.760 -12.446 1.00 0.00 C ATOM 273 CD2 PHE A 16 4.586 4.927 -12.880 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.579 2.590 -11.416 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.679 4.762 -11.853 1.00 0.00 C ATOM 276 CZ PHE A 16 3.675 3.593 -11.118 1.00 0.00 C ATOM 0 H PHE A 16 4.054 4.049 -15.027 1.00 0.00 H new ATOM 0 HA PHE A 16 6.596 4.044 -16.458 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.414 3.614 -14.058 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.712 5.182 -14.406 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.191 1.974 -12.672 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.585 5.845 -13.449 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.577 1.674 -10.844 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.973 5.547 -11.624 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.968 3.462 -10.312 1.00 0.00 H new ATOM 286 N ASP A 17 7.350 1.658 -16.101 1.00 0.00 N ATOM 287 CA ASP A 17 7.650 0.244 -16.246 1.00 0.00 C ATOM 288 C ASP A 17 7.863 -0.410 -14.884 1.00 0.00 C ATOM 289 O ASP A 17 8.955 -0.379 -14.315 1.00 0.00 O ATOM 290 CB ASP A 17 8.872 0.038 -17.155 1.00 0.00 C ATOM 291 CG ASP A 17 10.090 0.837 -16.720 1.00 0.00 C ATOM 292 OD1 ASP A 17 11.170 0.234 -16.535 1.00 0.00 O ATOM 293 OD2 ASP A 17 9.976 2.076 -16.566 1.00 0.00 O ATOM 0 H ASP A 17 8.140 2.275 -16.290 1.00 0.00 H new ATOM 0 HA ASP A 17 6.794 -0.239 -16.717 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.129 -1.021 -17.172 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.608 0.318 -18.175 1.00 0.00 H new ATOM 298 N ALA A 18 6.785 -0.961 -14.349 1.00 0.00 N ATOM 299 CA ALA A 18 6.828 -1.679 -13.087 1.00 0.00 C ATOM 300 C ALA A 18 6.035 -2.971 -13.202 1.00 0.00 C ATOM 301 O ALA A 18 5.295 -3.164 -14.167 1.00 0.00 O ATOM 302 CB ALA A 18 6.266 -0.819 -11.966 1.00 0.00 C ATOM 0 H ALA A 18 5.859 -0.923 -14.776 1.00 0.00 H new ATOM 0 HA ALA A 18 7.866 -1.916 -12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.306 -1.373 -11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.857 0.092 -11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.231 -0.559 -12.190 1.00 0.00 H new ATOM 308 N ASP A 19 6.186 -3.845 -12.222 1.00 0.00 N ATOM 309 CA ASP A 19 5.441 -5.098 -12.195 1.00 0.00 C ATOM 310 C ASP A 19 4.274 -4.960 -11.226 1.00 0.00 C ATOM 311 O ASP A 19 4.446 -4.446 -10.120 1.00 0.00 O ATOM 312 CB ASP A 19 6.361 -6.247 -11.771 1.00 0.00 C ATOM 313 CG ASP A 19 5.743 -7.618 -11.976 1.00 0.00 C ATOM 314 OD1 ASP A 19 5.650 -8.064 -13.142 1.00 0.00 O ATOM 315 OD2 ASP A 19 5.401 -8.275 -10.973 1.00 0.00 O ATOM 0 H ASP A 19 6.818 -3.713 -11.432 1.00 0.00 H new ATOM 0 HA ASP A 19 5.057 -5.320 -13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.290 -6.187 -12.337 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.620 -6.127 -10.719 1.00 0.00 H new ATOM 320 N SER A 20 3.087 -5.380 -11.635 1.00 0.00 N ATOM 321 CA SER A 20 1.900 -5.175 -10.818 1.00 0.00 C ATOM 322 C SER A 20 1.089 -6.459 -10.669 1.00 0.00 C ATOM 323 O SER A 20 0.647 -7.049 -11.656 1.00 0.00 O ATOM 324 CB SER A 20 1.033 -4.071 -11.434 1.00 0.00 C ATOM 325 OG SER A 20 -0.062 -3.745 -10.595 1.00 0.00 O ATOM 0 H SER A 20 2.920 -5.860 -12.519 1.00 0.00 H new ATOM 0 HA SER A 20 2.224 -4.873 -9.822 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.640 -3.182 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.664 -4.396 -12.407 1.00 0.00 H new ATOM 0 HG SER A 20 -0.595 -3.037 -11.013 1.00 0.00 H new ATOM 331 N GLU A 21 0.897 -6.885 -9.426 1.00 0.00 N ATOM 332 CA GLU A 21 0.036 -8.022 -9.133 1.00 0.00 C ATOM 333 C GLU A 21 -1.209 -7.564 -8.391 1.00 0.00 C ATOM 334 O GLU A 21 -1.129 -6.725 -7.493 1.00 0.00 O ATOM 335 CB GLU A 21 0.747 -9.062 -8.265 1.00 0.00 C ATOM 336 CG GLU A 21 2.040 -9.599 -8.845 1.00 0.00 C ATOM 337 CD GLU A 21 2.581 -10.763 -8.036 1.00 0.00 C ATOM 338 OE1 GLU A 21 2.176 -11.918 -8.300 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.405 -10.537 -7.129 1.00 0.00 O ATOM 0 H GLU A 21 1.327 -6.459 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.229 -8.473 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.958 -8.619 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.068 -9.897 -8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.872 -9.918 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.783 -8.802 -8.876 1.00 0.00 H new ATOM 346 N ILE A 22 -2.353 -8.108 -8.767 1.00 0.00 N ATOM 347 CA ILE A 22 -3.573 -7.912 -8.009 1.00 0.00 C ATOM 348 C ILE A 22 -3.964 -9.225 -7.349 1.00 0.00 C ATOM 349 O ILE A 22 -4.125 -10.248 -8.017 1.00 0.00 O ATOM 350 CB ILE A 22 -4.739 -7.394 -8.879 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.385 -6.037 -9.490 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.011 -7.278 -8.046 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.469 -5.467 -10.378 1.00 0.00 C ATOM 0 H ILE A 22 -2.461 -8.691 -9.597 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.376 -7.148 -7.257 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.912 -8.107 -9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.177 -5.330 -8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.468 -6.138 -10.071 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.824 -6.912 -8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.274 -8.257 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.845 -6.582 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.146 -4.504 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.662 -6.153 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.382 -5.332 -9.797 1.00 0.00 H new ATOM 365 N LEU A 23 -4.072 -9.194 -6.036 1.00 0.00 N ATOM 366 CA LEU A 23 -4.363 -10.379 -5.255 1.00 0.00 C ATOM 367 C LEU A 23 -5.727 -10.238 -4.598 1.00 0.00 C ATOM 368 O LEU A 23 -6.372 -9.193 -4.715 1.00 0.00 O ATOM 369 CB LEU A 23 -3.309 -10.553 -4.158 1.00 0.00 C ATOM 370 CG LEU A 23 -1.895 -10.067 -4.501 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.023 -10.078 -3.259 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.272 -10.922 -5.589 1.00 0.00 C ATOM 0 H LEU A 23 -3.960 -8.346 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.354 -11.245 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.648 -10.022 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.255 -11.610 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.968 -9.046 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.022 -9.731 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.454 -9.419 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.966 -11.092 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.270 -10.554 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.212 -11.956 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.886 -10.870 -6.488 1.00 0.00 H new ATOM 384 N GLN A 24 -6.162 -11.287 -3.917 1.00 0.00 N ATOM 385 CA GLN A 24 -7.364 -11.223 -3.094 1.00 0.00 C ATOM 386 C GLN A 24 -7.286 -12.250 -1.970 1.00 0.00 C ATOM 387 O GLN A 24 -8.280 -12.877 -1.597 1.00 0.00 O ATOM 388 CB GLN A 24 -8.633 -11.389 -3.950 1.00 0.00 C ATOM 389 CG GLN A 24 -8.643 -12.592 -4.886 1.00 0.00 C ATOM 390 CD GLN A 24 -9.205 -13.845 -4.245 1.00 0.00 C ATOM 391 OE1 GLN A 24 -8.470 -14.668 -3.705 1.00 0.00 O ATOM 392 NE2 GLN A 24 -10.518 -13.985 -4.280 1.00 0.00 N ATOM 0 H GLN A 24 -5.700 -12.196 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.425 -10.236 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.492 -11.463 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.768 -10.486 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.231 -12.350 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.626 -12.790 -5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.094 -13.279 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.956 -14.799 -3.849 1.00 0.00 H new ATOM 401 N GLY A 25 -6.098 -12.375 -1.396 1.00 0.00 N ATOM 402 CA GLY A 25 -5.867 -13.339 -0.339 1.00 0.00 C ATOM 403 C GLY A 25 -5.506 -14.723 -0.856 1.00 0.00 C ATOM 404 O GLY A 25 -4.606 -15.363 -0.321 1.00 0.00 O ATOM 0 H GLY A 25 -5.281 -11.819 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.064 -12.978 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.762 -13.412 0.279 1.00 0.00 H new ATOM 408 N GLU A 26 -6.190 -15.190 -1.892 1.00 0.00 N ATOM 409 CA GLU A 26 -5.924 -16.524 -2.422 1.00 0.00 C ATOM 410 C GLU A 26 -5.446 -16.453 -3.871 1.00 0.00 C ATOM 411 O GLU A 26 -4.443 -17.066 -4.235 1.00 0.00 O ATOM 412 CB GLU A 26 -7.177 -17.396 -2.311 1.00 0.00 C ATOM 413 CG GLU A 26 -6.923 -18.874 -2.566 1.00 0.00 C ATOM 414 CD GLU A 26 -8.139 -19.722 -2.268 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.693 -19.591 -1.158 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.547 -20.522 -3.138 1.00 0.00 O ATOM 0 H GLU A 26 -6.924 -14.674 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.129 -16.975 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.604 -17.277 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.922 -17.037 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.629 -19.016 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.089 -19.209 -1.950 1.00 0.00 H new ATOM 423 N ARG A 27 -6.161 -15.695 -4.691 1.00 0.00 N ATOM 424 CA ARG A 27 -5.789 -15.535 -6.089 1.00 0.00 C ATOM 425 C ARG A 27 -4.718 -14.467 -6.243 1.00 0.00 C ATOM 426 O ARG A 27 -4.664 -13.512 -5.467 1.00 0.00 O ATOM 427 CB ARG A 27 -6.985 -15.133 -6.950 1.00 0.00 C ATOM 428 CG ARG A 27 -8.031 -16.212 -7.168 1.00 0.00 C ATOM 429 CD ARG A 27 -8.947 -15.814 -8.315 1.00 0.00 C ATOM 430 NE ARG A 27 -10.004 -16.785 -8.585 1.00 0.00 N ATOM 431 CZ ARG A 27 -10.033 -17.563 -9.669 1.00 0.00 C ATOM 432 NH1 ARG A 27 -8.975 -17.637 -10.467 1.00 0.00 N ATOM 433 NH2 ARG A 27 -11.109 -18.290 -9.933 1.00 0.00 N ATOM 0 H ARG A 27 -6.999 -15.183 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.412 -16.502 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.468 -14.272 -6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.616 -14.808 -7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.546 -17.163 -7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.613 -16.356 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.401 -14.849 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.349 -15.681 -9.217 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.762 -16.873 -7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.136 -17.098 -10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.001 -18.233 -11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.914 -18.255 -9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.132 -18.885 -10.761 1.00 0.00 H new ATOM 447 N ARG A 28 -3.883 -14.635 -7.257 1.00 0.00 N ATOM 448 CA ARG A 28 -2.919 -13.619 -7.643 1.00 0.00 C ATOM 449 C ARG A 28 -2.830 -13.564 -9.162 1.00 0.00 C ATOM 450 O ARG A 28 -2.739 -14.604 -9.819 1.00 0.00 O ATOM 451 CB ARG A 28 -1.532 -13.899 -7.049 1.00 0.00 C ATOM 452 CG ARG A 28 -0.845 -15.135 -7.610 1.00 0.00 C ATOM 453 CD ARG A 28 0.654 -15.095 -7.368 1.00 0.00 C ATOM 454 NE ARG A 28 1.001 -15.258 -5.958 1.00 0.00 N ATOM 455 CZ ARG A 28 1.862 -14.475 -5.309 1.00 0.00 C ATOM 456 NH1 ARG A 28 2.373 -13.394 -5.895 1.00 0.00 N ATOM 457 NH2 ARG A 28 2.201 -14.766 -4.058 1.00 0.00 N ATOM 0 H ARG A 28 -3.855 -15.476 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.258 -12.660 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.894 -13.033 -7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.629 -14.011 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.266 -16.028 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.040 -15.207 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.133 -15.883 -7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.051 -14.146 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 28 0.558 -16.016 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.106 -13.158 -6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.031 -12.802 -5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.803 -15.585 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.860 -14.170 -3.556 1.00 0.00 H new ATOM 471 N TRP A 29 -2.901 -12.370 -9.723 1.00 0.00 N ATOM 472 CA TRP A 29 -2.736 -12.211 -11.161 1.00 0.00 C ATOM 473 C TRP A 29 -1.981 -10.931 -11.488 1.00 0.00 C ATOM 474 O TRP A 29 -2.258 -9.872 -10.928 1.00 0.00 O ATOM 475 CB TRP A 29 -4.092 -12.245 -11.885 1.00 0.00 C ATOM 476 CG TRP A 29 -5.076 -11.205 -11.430 1.00 0.00 C ATOM 477 CD1 TRP A 29 -5.265 -9.967 -11.971 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.024 -11.325 -10.362 1.00 0.00 C ATOM 479 NE1 TRP A 29 -6.265 -9.307 -11.300 1.00 0.00 N ATOM 480 CE2 TRP A 29 -6.746 -10.121 -10.310 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.328 -12.334 -9.442 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -7.757 -9.900 -9.378 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.334 -12.113 -8.519 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.036 -10.903 -8.492 1.00 0.00 C ATOM 0 H TRP A 29 -3.070 -11.503 -9.213 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.144 -13.053 -11.519 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.920 -12.119 -12.954 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.537 -13.231 -11.747 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.709 -9.565 -12.805 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.595 -8.364 -11.506 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.787 -13.269 -9.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.302 -8.968 -9.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.582 -12.887 -7.808 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.814 -10.759 -7.757 1.00 0.00 H new ATOM 495 N GLU A 30 -1.011 -11.044 -12.381 1.00 0.00 N ATOM 496 CA GLU A 30 -0.200 -9.905 -12.789 1.00 0.00 C ATOM 497 C GLU A 30 -0.897 -9.153 -13.922 1.00 0.00 C ATOM 498 O GLU A 30 -1.340 -9.761 -14.901 1.00 0.00 O ATOM 499 CB GLU A 30 1.194 -10.400 -13.196 1.00 0.00 C ATOM 500 CG GLU A 30 2.170 -9.309 -13.604 1.00 0.00 C ATOM 501 CD GLU A 30 2.291 -9.166 -15.105 1.00 0.00 C ATOM 502 OE1 GLU A 30 1.674 -8.247 -15.674 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.012 -9.976 -15.724 1.00 0.00 O ATOM 0 H GLU A 30 -0.764 -11.920 -12.841 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.081 -9.207 -11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.623 -10.957 -12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.087 -11.099 -14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.846 -8.360 -13.178 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.151 -9.529 -13.184 1.00 0.00 H new ATOM 510 N VAL A 31 -1.004 -7.836 -13.775 1.00 0.00 N ATOM 511 CA VAL A 31 -1.770 -7.019 -14.707 1.00 0.00 C ATOM 512 C VAL A 31 -0.982 -5.768 -15.114 1.00 0.00 C ATOM 513 O VAL A 31 -0.109 -5.309 -14.380 1.00 0.00 O ATOM 514 CB VAL A 31 -3.127 -6.612 -14.083 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.928 -5.656 -12.916 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.057 -6.010 -15.125 1.00 0.00 C ATOM 0 H VAL A 31 -0.568 -7.312 -13.017 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.957 -7.614 -15.601 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.598 -7.518 -13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.897 -5.387 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.323 -6.139 -12.149 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.421 -4.756 -13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.001 -5.735 -14.655 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.594 -5.122 -15.556 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.243 -6.741 -15.912 1.00 0.00 H new ATOM 526 N LEU A 32 -1.298 -5.226 -16.286 1.00 0.00 N ATOM 527 CA LEU A 32 -0.584 -4.068 -16.814 1.00 0.00 C ATOM 528 C LEU A 32 -1.257 -2.764 -16.388 1.00 0.00 C ATOM 529 O LEU A 32 -2.487 -2.670 -16.340 1.00 0.00 O ATOM 530 CB LEU A 32 -0.505 -4.120 -18.348 1.00 0.00 C ATOM 531 CG LEU A 32 0.276 -5.297 -18.944 1.00 0.00 C ATOM 532 CD1 LEU A 32 -0.547 -6.573 -18.900 1.00 0.00 C ATOM 533 CD2 LEU A 32 0.696 -4.987 -20.372 1.00 0.00 C ATOM 0 H LEU A 32 -2.045 -5.571 -16.889 1.00 0.00 H new ATOM 0 HA LEU A 32 0.425 -4.098 -16.403 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.521 -4.147 -18.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.051 -3.194 -18.700 1.00 0.00 H new ATOM 0 HG LEU A 32 1.171 -5.449 -18.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.030 -7.393 -19.329 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.799 -6.808 -17.866 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.463 -6.435 -19.474 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.249 -5.833 -20.780 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.190 -4.805 -20.980 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.330 -4.100 -20.380 1.00 0.00 H new ATOM 545 N LEU A 33 -0.433 -1.763 -16.093 1.00 0.00 N ATOM 546 CA LEU A 33 -0.914 -0.437 -15.727 1.00 0.00 C ATOM 547 C LEU A 33 -1.413 0.305 -16.965 1.00 0.00 C ATOM 548 O LEU A 33 -0.886 0.121 -18.061 1.00 0.00 O ATOM 549 CB LEU A 33 0.212 0.358 -15.054 1.00 0.00 C ATOM 550 CG LEU A 33 -0.138 1.792 -14.643 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.223 1.797 -13.578 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.103 2.516 -14.143 1.00 0.00 C ATOM 0 H LEU A 33 0.583 -1.849 -16.101 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.743 -0.543 -15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.535 -0.186 -14.166 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.063 0.392 -15.734 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.518 2.318 -15.519 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.456 2.825 -13.301 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.119 1.315 -13.969 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.873 1.255 -12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.839 3.534 -13.855 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.509 1.988 -13.280 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.851 2.546 -14.935 1.00 0.00 H new ATOM 564 N HIS A 34 -2.443 1.124 -16.793 1.00 0.00 N ATOM 565 CA HIS A 34 -3.001 1.899 -17.897 1.00 0.00 C ATOM 566 C HIS A 34 -3.137 3.367 -17.506 1.00 0.00 C ATOM 567 O HIS A 34 -2.723 4.254 -18.249 1.00 0.00 O ATOM 568 CB HIS A 34 -4.361 1.335 -18.337 1.00 0.00 C ATOM 569 CG HIS A 34 -4.264 0.073 -19.146 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.759 -0.038 -20.427 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.727 -1.136 -18.852 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.531 -1.254 -20.885 1.00 0.00 C ATOM 573 NE2 HIS A 34 -3.906 -1.939 -19.950 1.00 0.00 N ATOM 0 H HIS A 34 -2.911 1.270 -15.898 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.314 1.824 -18.740 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.967 1.142 -17.452 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.884 2.091 -18.922 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.230 0.706 -20.942 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.247 -1.415 -17.926 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.809 -1.625 -21.860 1.00 0.00 H new ATOM 582 N ASP A 35 -3.721 3.609 -16.337 1.00 0.00 N ATOM 583 CA ASP A 35 -3.835 4.956 -15.783 1.00 0.00 C ATOM 584 C ASP A 35 -4.039 4.841 -14.275 1.00 0.00 C ATOM 585 O ASP A 35 -4.355 3.756 -13.777 1.00 0.00 O ATOM 586 CB ASP A 35 -5.007 5.715 -16.424 1.00 0.00 C ATOM 587 CG ASP A 35 -4.775 7.217 -16.480 1.00 0.00 C ATOM 588 OD1 ASP A 35 -5.116 7.833 -17.516 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.237 7.782 -15.505 1.00 0.00 O ATOM 0 H ASP A 35 -4.127 2.882 -15.748 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.924 5.516 -15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.169 5.339 -17.434 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.917 5.513 -15.859 1.00 0.00 H new ATOM 594 N VAL A 36 -3.873 5.933 -13.545 1.00 0.00 N ATOM 595 CA VAL A 36 -3.952 5.881 -12.089 1.00 0.00 C ATOM 596 C VAL A 36 -4.149 7.270 -11.483 1.00 0.00 C ATOM 597 O VAL A 36 -3.556 8.250 -11.927 1.00 0.00 O ATOM 598 CB VAL A 36 -2.690 5.209 -11.483 1.00 0.00 C ATOM 599 CG1 VAL A 36 -1.427 5.986 -11.831 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.824 5.049 -9.977 1.00 0.00 C ATOM 0 H VAL A 36 -3.684 6.859 -13.930 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.824 5.276 -11.840 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.605 4.216 -11.924 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.562 5.489 -11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.311 6.026 -12.914 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.503 6.999 -11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.926 4.576 -9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.951 6.029 -9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.691 4.427 -9.753 1.00 0.00 H new ATOM 610 N SER A 37 -5.005 7.344 -10.473 1.00 0.00 N ATOM 611 CA SER A 37 -5.248 8.585 -9.758 1.00 0.00 C ATOM 612 C SER A 37 -4.891 8.416 -8.287 1.00 0.00 C ATOM 613 O SER A 37 -4.354 7.388 -7.881 1.00 0.00 O ATOM 614 CB SER A 37 -6.720 8.994 -9.879 1.00 0.00 C ATOM 615 OG SER A 37 -7.574 7.919 -9.518 1.00 0.00 O ATOM 0 H SER A 37 -5.546 6.550 -10.130 1.00 0.00 H new ATOM 0 HA SER A 37 -4.625 9.364 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.917 9.852 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.933 9.305 -10.902 1.00 0.00 H new ATOM 0 HG SER A 37 -8.509 8.202 -9.601 1.00 0.00 H new ATOM 621 N LEU A 38 -5.202 9.427 -7.491 1.00 0.00 N ATOM 622 CA LEU A 38 -5.042 9.341 -6.046 1.00 0.00 C ATOM 623 C LEU A 38 -6.292 8.702 -5.443 1.00 0.00 C ATOM 624 O LEU A 38 -6.401 8.509 -4.234 1.00 0.00 O ATOM 625 CB LEU A 38 -4.793 10.746 -5.468 1.00 0.00 C ATOM 626 CG LEU A 38 -4.494 10.815 -3.966 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.299 11.718 -3.704 1.00 0.00 C ATOM 628 CD2 LEU A 38 -5.708 11.326 -3.199 1.00 0.00 C ATOM 0 H LEU A 38 -5.568 10.320 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.182 8.720 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.957 11.195 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.670 11.361 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.260 9.808 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.100 11.756 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.425 11.324 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.515 12.722 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.475 11.368 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.968 12.324 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.550 10.653 -3.360 1.00 0.00 H new ATOM 640 N HIS A 39 -7.222 8.341 -6.319 1.00 0.00 N ATOM 641 CA HIS A 39 -8.507 7.803 -5.903 1.00 0.00 C ATOM 642 C HIS A 39 -8.472 6.298 -6.068 1.00 0.00 C ATOM 643 O HIS A 39 -8.852 5.545 -5.173 1.00 0.00 O ATOM 644 CB HIS A 39 -9.666 8.363 -6.750 1.00 0.00 C ATOM 645 CG HIS A 39 -9.566 9.817 -7.117 1.00 0.00 C ATOM 646 ND1 HIS A 39 -10.366 10.393 -8.070 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.731 10.796 -6.700 1.00 0.00 C ATOM 648 CE1 HIS A 39 -10.018 11.657 -8.230 1.00 0.00 C ATOM 649 NE2 HIS A 39 -9.034 11.926 -7.404 1.00 0.00 N ATOM 0 H HIS A 39 -7.106 8.413 -7.330 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.677 8.089 -4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.734 7.780 -7.668 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.597 8.209 -6.205 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.114 9.919 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.963 10.701 -5.946 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.467 12.352 -8.924 1.00 0.00 H new ATOM 658 N GLY A 40 -7.997 5.879 -7.230 1.00 0.00 N ATOM 659 CA GLY A 40 -7.902 4.477 -7.543 1.00 0.00 C ATOM 660 C GLY A 40 -7.027 4.238 -8.753 1.00 0.00 C ATOM 661 O GLY A 40 -6.358 5.157 -9.230 1.00 0.00 O ATOM 0 H GLY A 40 -7.672 6.500 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.496 3.939 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.898 4.076 -7.728 1.00 0.00 H new ATOM 665 N ILE A 41 -7.052 3.021 -9.271 1.00 0.00 N ATOM 666 CA ILE A 41 -6.175 2.641 -10.373 1.00 0.00 C ATOM 667 C ILE A 41 -6.979 2.024 -11.521 1.00 0.00 C ATOM 668 O ILE A 41 -7.995 1.365 -11.290 1.00 0.00 O ATOM 669 CB ILE A 41 -5.085 1.651 -9.886 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.115 1.292 -11.017 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.723 0.393 -9.313 1.00 0.00 C ATOM 672 CD1 ILE A 41 -2.967 0.411 -10.574 1.00 0.00 C ATOM 0 H ILE A 41 -7.670 2.277 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.686 3.543 -10.742 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.515 2.143 -9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.666 0.786 -11.810 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.713 2.210 -11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.943 -0.290 -8.977 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.360 0.660 -8.470 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.324 -0.093 -10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.322 0.198 -11.426 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.392 0.923 -9.803 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.359 -0.524 -10.173 1.00 0.00 H new ATOM 684 N LEU A 42 -6.533 2.262 -12.752 1.00 0.00 N ATOM 685 CA LEU A 42 -7.198 1.729 -13.938 1.00 0.00 C ATOM 686 C LEU A 42 -6.272 0.762 -14.675 1.00 0.00 C ATOM 687 O LEU A 42 -5.170 1.135 -15.093 1.00 0.00 O ATOM 688 CB LEU A 42 -7.609 2.873 -14.872 1.00 0.00 C ATOM 689 CG LEU A 42 -8.342 2.452 -16.151 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.711 1.877 -15.830 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.472 3.632 -17.098 1.00 0.00 C ATOM 0 H LEU A 42 -5.707 2.825 -12.955 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.092 1.190 -13.623 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.249 3.559 -14.317 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.714 3.428 -15.153 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.754 1.674 -16.639 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.210 1.586 -16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.597 1.003 -15.189 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.310 2.629 -15.316 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.994 3.318 -18.001 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.035 4.428 -16.612 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.480 3.998 -17.362 1.00 0.00 H new ATOM 703 N VAL A 43 -6.718 -0.475 -14.833 1.00 0.00 N ATOM 704 CA VAL A 43 -5.907 -1.504 -15.468 1.00 0.00 C ATOM 705 C VAL A 43 -6.683 -2.217 -16.571 1.00 0.00 C ATOM 706 O VAL A 43 -7.893 -2.033 -16.713 1.00 0.00 O ATOM 707 CB VAL A 43 -5.411 -2.558 -14.451 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.500 -1.927 -13.406 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.584 -3.262 -13.784 1.00 0.00 C ATOM 0 H VAL A 43 -7.639 -0.792 -14.530 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.045 -0.992 -15.897 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.832 -3.301 -14.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.167 -2.692 -12.704 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.634 -1.484 -13.898 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.046 -1.153 -12.867 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.210 -3.999 -13.073 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.197 -2.530 -13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.187 -3.763 -14.542 1.00 0.00 H new ATOM 719 N GLY A 44 -5.978 -3.027 -17.346 1.00 0.00 N ATOM 720 CA GLY A 44 -6.617 -3.819 -18.379 1.00 0.00 C ATOM 721 C GLY A 44 -6.506 -5.293 -18.070 1.00 0.00 C ATOM 722 O GLY A 44 -5.411 -5.859 -18.110 1.00 0.00 O ATOM 0 H GLY A 44 -4.968 -3.151 -17.278 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.667 -3.538 -18.462 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.154 -3.609 -19.343 1.00 0.00 H new ATOM 726 N GLN A 45 -7.627 -5.917 -17.756 1.00 0.00 N ATOM 727 CA GLN A 45 -7.619 -7.286 -17.266 1.00 0.00 C ATOM 728 C GLN A 45 -8.496 -8.188 -18.130 1.00 0.00 C ATOM 729 O GLN A 45 -9.715 -8.034 -18.163 1.00 0.00 O ATOM 730 CB GLN A 45 -8.106 -7.317 -15.814 1.00 0.00 C ATOM 731 CG GLN A 45 -8.010 -8.684 -15.161 1.00 0.00 C ATOM 732 CD GLN A 45 -8.605 -8.704 -13.767 1.00 0.00 C ATOM 733 OE1 GLN A 45 -9.108 -9.729 -13.314 1.00 0.00 O ATOM 734 NE2 GLN A 45 -8.553 -7.571 -13.076 1.00 0.00 N ATOM 0 H GLN A 45 -8.554 -5.499 -17.831 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.597 -7.662 -17.317 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.523 -6.605 -15.230 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.143 -6.982 -15.782 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.524 -9.417 -15.783 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.964 -8.986 -15.111 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.126 -6.741 -13.488 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.940 -7.531 -12.133 1.00 0.00 H new ATOM 743 N PRO A 46 -7.878 -9.147 -18.838 1.00 0.00 N ATOM 744 CA PRO A 46 -8.596 -10.116 -19.667 1.00 0.00 C ATOM 745 C PRO A 46 -9.013 -11.359 -18.877 1.00 0.00 C ATOM 746 O PRO A 46 -9.129 -12.457 -19.429 1.00 0.00 O ATOM 747 CB PRO A 46 -7.552 -10.474 -20.720 1.00 0.00 C ATOM 748 CG PRO A 46 -6.245 -10.384 -20.000 1.00 0.00 C ATOM 749 CD PRO A 46 -6.416 -9.356 -18.906 1.00 0.00 C ATOM 0 HA PRO A 46 -9.527 -9.719 -20.072 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.717 -11.475 -21.118 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.588 -9.785 -21.564 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.968 -11.351 -19.581 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.447 -10.092 -20.683 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.019 -9.714 -17.956 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.891 -8.430 -19.142 1.00 0.00 H new ATOM 757 N GLN A 47 -9.253 -11.172 -17.586 1.00 0.00 N ATOM 758 CA GLN A 47 -9.586 -12.273 -16.691 1.00 0.00 C ATOM 759 C GLN A 47 -11.056 -12.173 -16.271 1.00 0.00 C ATOM 760 O GLN A 47 -11.834 -11.449 -16.893 1.00 0.00 O ATOM 761 CB GLN A 47 -8.670 -12.227 -15.461 1.00 0.00 C ATOM 762 CG GLN A 47 -8.539 -13.551 -14.720 1.00 0.00 C ATOM 763 CD GLN A 47 -7.770 -13.412 -13.421 1.00 0.00 C ATOM 764 OE1 GLN A 47 -7.076 -14.334 -12.996 1.00 0.00 O ATOM 765 NE2 GLN A 47 -7.901 -12.266 -12.773 1.00 0.00 N ATOM 0 H GLN A 47 -9.223 -10.259 -17.132 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.437 -13.222 -17.206 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.678 -11.901 -15.775 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.049 -11.474 -14.770 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.533 -13.947 -14.510 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.036 -14.275 -15.361 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.486 -11.526 -13.160 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.417 -12.123 -11.887 1.00 0.00 H new ATOM 774 N ASP A 48 -11.428 -12.896 -15.222 1.00 0.00 N ATOM 775 CA ASP A 48 -12.795 -12.879 -14.714 1.00 0.00 C ATOM 776 C ASP A 48 -12.765 -12.763 -13.190 1.00 0.00 C ATOM 777 O ASP A 48 -11.685 -12.715 -12.597 1.00 0.00 O ATOM 778 CB ASP A 48 -13.535 -14.145 -15.152 1.00 0.00 C ATOM 779 CG ASP A 48 -15.040 -14.028 -15.003 1.00 0.00 C ATOM 780 OD1 ASP A 48 -15.605 -14.654 -14.084 1.00 0.00 O ATOM 781 OD2 ASP A 48 -15.663 -13.309 -15.805 1.00 0.00 O ATOM 0 H ASP A 48 -10.797 -13.506 -14.703 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.328 -12.020 -15.122 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.293 -14.360 -16.193 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.181 -14.990 -14.562 1.00 0.00 H new ATOM 786 N TRP A 49 -13.929 -12.727 -12.555 1.00 0.00 N ATOM 787 CA TRP A 49 -13.998 -12.499 -11.117 1.00 0.00 C ATOM 788 C TRP A 49 -14.518 -13.720 -10.372 1.00 0.00 C ATOM 789 O TRP A 49 -14.942 -14.704 -10.978 1.00 0.00 O ATOM 790 CB TRP A 49 -14.877 -11.288 -10.808 1.00 0.00 C ATOM 791 CG TRP A 49 -14.301 -10.007 -11.314 1.00 0.00 C ATOM 792 CD1 TRP A 49 -14.827 -9.188 -12.267 1.00 0.00 C ATOM 793 CD2 TRP A 49 -13.069 -9.405 -10.900 1.00 0.00 C ATOM 794 NE1 TRP A 49 -14.002 -8.110 -12.470 1.00 0.00 N ATOM 795 CE2 TRP A 49 -12.914 -8.222 -11.640 1.00 0.00 C ATOM 796 CE3 TRP A 49 -12.084 -9.754 -9.970 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -11.813 -7.385 -11.481 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -10.994 -8.922 -9.815 1.00 0.00 C ATOM 799 CH2 TRP A 49 -10.867 -7.750 -10.563 1.00 0.00 C ATOM 0 H TRP A 49 -14.834 -12.852 -13.009 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.982 -12.305 -10.773 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.862 -11.438 -11.251 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -15.020 -11.215 -9.730 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.758 -9.362 -12.787 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.170 -7.350 -13.129 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -12.175 -10.657 -9.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -11.710 -6.480 -12.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.225 -9.182 -9.102 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.004 -7.118 -10.414 1.00 0.00 H new ATOM 810 N ASN A 50 -14.478 -13.642 -9.045 1.00 0.00 N ATOM 811 CA ASN A 50 -14.939 -14.732 -8.196 1.00 0.00 C ATOM 812 C ASN A 50 -16.452 -14.663 -8.027 1.00 0.00 C ATOM 813 O ASN A 50 -17.187 -15.470 -8.596 1.00 0.00 O ATOM 814 CB ASN A 50 -14.259 -14.681 -6.818 1.00 0.00 C ATOM 815 CG ASN A 50 -12.744 -14.738 -6.902 1.00 0.00 C ATOM 816 OD1 ASN A 50 -12.149 -15.814 -6.953 1.00 0.00 O ATOM 817 ND2 ASN A 50 -12.104 -13.578 -6.877 1.00 0.00 N ATOM 0 H ASN A 50 -14.129 -12.831 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.673 -15.672 -8.679 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.555 -13.765 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.615 -15.514 -6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.084 -13.557 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.631 -12.706 -6.835 1.00 0.00 H new ATOM 824 N GLY A 51 -16.913 -13.689 -7.254 1.00 0.00 N ATOM 825 CA GLY A 51 -18.336 -13.522 -7.047 1.00 0.00 C ATOM 826 C GLY A 51 -18.731 -12.065 -6.968 1.00 0.00 C ATOM 827 O GLY A 51 -19.529 -11.586 -7.771 1.00 0.00 O ATOM 0 H GLY A 51 -16.326 -13.012 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.879 -14.001 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.630 -14.027 -6.127 1.00 0.00 H new ATOM 831 N ASP A 52 -18.160 -11.354 -6.006 1.00 0.00 N ATOM 832 CA ASP A 52 -18.484 -9.947 -5.798 1.00 0.00 C ATOM 833 C ASP A 52 -17.230 -9.119 -5.579 1.00 0.00 C ATOM 834 O ASP A 52 -16.230 -9.618 -5.061 1.00 0.00 O ATOM 835 CB ASP A 52 -19.414 -9.774 -4.594 1.00 0.00 C ATOM 836 CG ASP A 52 -20.873 -9.912 -4.961 1.00 0.00 C ATOM 837 OD1 ASP A 52 -21.446 -8.937 -5.496 1.00 0.00 O ATOM 838 OD2 ASP A 52 -21.461 -10.980 -4.700 1.00 0.00 O ATOM 0 H ASP A 52 -17.469 -11.728 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 52 -18.988 -9.597 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.162 -10.516 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.247 -8.793 -4.148 1.00 0.00 H new ATOM 843 N PRO A 53 -17.272 -7.835 -5.965 1.00 0.00 N ATOM 844 CA PRO A 53 -16.186 -6.888 -5.709 1.00 0.00 C ATOM 845 C PRO A 53 -16.215 -6.371 -4.272 1.00 0.00 C ATOM 846 O PRO A 53 -15.595 -5.357 -3.949 1.00 0.00 O ATOM 847 CB PRO A 53 -16.473 -5.757 -6.692 1.00 0.00 C ATOM 848 CG PRO A 53 -17.952 -5.767 -6.853 1.00 0.00 C ATOM 849 CD PRO A 53 -18.384 -7.203 -6.708 1.00 0.00 C ATOM 0 HA PRO A 53 -15.201 -7.337 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.122 -4.799 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -15.969 -5.922 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.429 -5.140 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.240 -5.371 -7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.325 -7.284 -6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.535 -7.675 -7.679 1.00 0.00 H new ATOM 857 N GLN A 54 -16.934 -7.089 -3.414 1.00 0.00 N ATOM 858 CA GLN A 54 -17.042 -6.740 -2.008 1.00 0.00 C ATOM 859 C GLN A 54 -15.940 -7.449 -1.242 1.00 0.00 C ATOM 860 O GLN A 54 -15.837 -7.362 -0.019 1.00 0.00 O ATOM 861 CB GLN A 54 -18.419 -7.136 -1.468 1.00 0.00 C ATOM 862 CG GLN A 54 -19.568 -6.401 -2.146 1.00 0.00 C ATOM 863 CD GLN A 54 -20.931 -6.871 -1.675 1.00 0.00 C ATOM 864 OE1 GLN A 54 -21.474 -6.360 -0.699 1.00 0.00 O ATOM 865 NE2 GLN A 54 -21.502 -7.837 -2.376 1.00 0.00 N ATOM 0 H GLN A 54 -17.455 -7.926 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 54 -16.932 -5.663 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.557 -8.209 -1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.452 -6.937 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -19.472 -5.332 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.495 -6.539 -3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.019 -8.237 -3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.425 -8.182 -2.112 1.00 0.00 H new ATOM 874 N ARG A 55 -15.121 -8.166 -1.994 1.00 0.00 N ATOM 875 CA ARG A 55 -13.972 -8.851 -1.455 1.00 0.00 C ATOM 876 C ARG A 55 -12.703 -8.097 -1.834 1.00 0.00 C ATOM 877 O ARG A 55 -12.458 -7.844 -3.013 1.00 0.00 O ATOM 878 CB ARG A 55 -13.939 -10.296 -1.957 1.00 0.00 C ATOM 879 CG ARG A 55 -15.066 -11.136 -1.379 1.00 0.00 C ATOM 880 CD ARG A 55 -15.045 -11.070 0.139 1.00 0.00 C ATOM 881 NE ARG A 55 -16.173 -11.759 0.767 1.00 0.00 N ATOM 882 CZ ARG A 55 -16.248 -13.078 0.946 1.00 0.00 C ATOM 883 NH1 ARG A 55 -15.342 -13.889 0.409 1.00 0.00 N ATOM 884 NH2 ARG A 55 -17.245 -13.588 1.660 1.00 0.00 N ATOM 0 H ARG A 55 -15.241 -8.286 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.038 -8.880 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.007 -10.301 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.982 -10.747 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.025 -10.777 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.963 -12.170 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.115 -11.507 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.048 -10.025 0.450 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.956 -11.191 1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.579 -13.504 -0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.410 -14.896 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.948 -12.971 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.308 -14.596 1.801 1.00 0.00 H new ATOM 898 N PRO A 56 -11.917 -7.707 -0.817 1.00 0.00 N ATOM 899 CA PRO A 56 -10.717 -6.870 -0.977 1.00 0.00 C ATOM 900 C PRO A 56 -9.799 -7.304 -2.116 1.00 0.00 C ATOM 901 O PRO A 56 -9.413 -8.470 -2.214 1.00 0.00 O ATOM 902 CB PRO A 56 -9.998 -7.040 0.361 1.00 0.00 C ATOM 903 CG PRO A 56 -11.086 -7.302 1.343 1.00 0.00 C ATOM 904 CD PRO A 56 -12.155 -8.054 0.596 1.00 0.00 C ATOM 0 HA PRO A 56 -10.990 -5.845 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.288 -7.866 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.434 -6.145 0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.717 -7.886 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.478 -6.369 1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.076 -9.128 0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.152 -7.754 0.918 1.00 0.00 H new ATOM 912 N PHE A 57 -9.465 -6.351 -2.974 1.00 0.00 N ATOM 913 CA PHE A 57 -8.490 -6.568 -4.026 1.00 0.00 C ATOM 914 C PHE A 57 -7.202 -5.843 -3.642 1.00 0.00 C ATOM 915 O PHE A 57 -7.245 -4.723 -3.135 1.00 0.00 O ATOM 916 CB PHE A 57 -9.037 -6.071 -5.382 1.00 0.00 C ATOM 917 CG PHE A 57 -10.260 -6.826 -5.852 1.00 0.00 C ATOM 918 CD1 PHE A 57 -10.350 -8.195 -5.642 1.00 0.00 C ATOM 919 CD2 PHE A 57 -11.318 -6.183 -6.504 1.00 0.00 C ATOM 920 CE1 PHE A 57 -11.457 -8.907 -6.059 1.00 0.00 C ATOM 921 CE2 PHE A 57 -12.424 -6.899 -6.921 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.493 -8.260 -6.698 1.00 0.00 C ATOM 0 H PHE A 57 -9.861 -5.411 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.284 -7.633 -4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.283 -5.012 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.254 -6.159 -6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.542 -8.711 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.270 -5.119 -6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.511 -9.971 -5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.236 -6.393 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.359 -8.818 -7.024 1.00 0.00 H new ATOM 932 N GLU A 58 -6.062 -6.481 -3.832 1.00 0.00 N ATOM 933 CA GLU A 58 -4.800 -5.901 -3.389 1.00 0.00 C ATOM 934 C GLU A 58 -3.844 -5.695 -4.550 1.00 0.00 C ATOM 935 O GLU A 58 -3.357 -6.653 -5.139 1.00 0.00 O ATOM 936 CB GLU A 58 -4.143 -6.791 -2.331 1.00 0.00 C ATOM 937 CG GLU A 58 -4.984 -6.974 -1.080 1.00 0.00 C ATOM 938 CD GLU A 58 -4.238 -7.698 0.020 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.647 -7.020 0.886 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.235 -8.947 0.028 1.00 0.00 O ATOM 0 H GLU A 58 -5.980 -7.391 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.023 -4.927 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.939 -7.769 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.182 -6.360 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.304 -5.998 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.886 -7.532 -1.331 1.00 0.00 H new ATOM 947 N ALA A 59 -3.567 -4.443 -4.876 1.00 0.00 N ATOM 948 CA ALA A 59 -2.651 -4.131 -5.959 1.00 0.00 C ATOM 949 C ALA A 59 -1.260 -3.840 -5.417 1.00 0.00 C ATOM 950 O ALA A 59 -1.080 -2.943 -4.590 1.00 0.00 O ATOM 951 CB ALA A 59 -3.163 -2.954 -6.774 1.00 0.00 C ATOM 0 H ALA A 59 -3.963 -3.628 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.590 -5.000 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.462 -2.737 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.137 -3.200 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.258 -2.079 -6.130 1.00 0.00 H new ATOM 957 N ARG A 60 -0.282 -4.615 -5.861 1.00 0.00 N ATOM 958 CA ARG A 60 1.096 -4.396 -5.463 1.00 0.00 C ATOM 959 C ARG A 60 1.915 -3.915 -6.652 1.00 0.00 C ATOM 960 O ARG A 60 2.007 -4.602 -7.671 1.00 0.00 O ATOM 961 CB ARG A 60 1.715 -5.676 -4.881 1.00 0.00 C ATOM 962 CG ARG A 60 1.030 -6.184 -3.619 1.00 0.00 C ATOM 963 CD ARG A 60 1.782 -7.360 -3.013 1.00 0.00 C ATOM 964 NE ARG A 60 1.107 -7.908 -1.833 1.00 0.00 N ATOM 965 CZ ARG A 60 1.732 -8.557 -0.846 1.00 0.00 C ATOM 966 NH1 ARG A 60 3.055 -8.706 -0.873 1.00 0.00 N ATOM 967 NH2 ARG A 60 1.033 -9.062 0.165 1.00 0.00 N ATOM 0 H ARG A 60 -0.419 -5.401 -6.497 1.00 0.00 H new ATOM 0 HA ARG A 60 1.106 -3.630 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.682 -6.459 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.766 -5.490 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.965 -5.377 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.009 -6.485 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.890 -8.144 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.787 -7.042 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 60 0.097 -7.786 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.595 -8.324 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.528 -9.202 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.019 -8.954 0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.510 -9.557 0.918 1.00 0.00 H new ATOM 981 N LEU A 61 2.485 -2.731 -6.522 1.00 0.00 N ATOM 982 CA LEU A 61 3.348 -2.167 -7.548 1.00 0.00 C ATOM 983 C LEU A 61 4.801 -2.375 -7.164 1.00 0.00 C ATOM 984 O LEU A 61 5.288 -1.796 -6.185 1.00 0.00 O ATOM 985 CB LEU A 61 3.066 -0.671 -7.730 1.00 0.00 C ATOM 986 CG LEU A 61 1.658 -0.315 -8.211 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.470 1.196 -8.222 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.404 -0.886 -9.595 1.00 0.00 C ATOM 0 H LEU A 61 2.364 -2.133 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 61 3.145 -2.674 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.243 -0.168 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.786 -0.268 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 61 0.938 -0.754 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.464 1.435 -8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.611 1.588 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.200 1.649 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.397 -0.622 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.130 -0.476 -10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.502 -1.971 -9.564 1.00 0.00 H new ATOM 1000 N TYR A 62 5.486 -3.220 -7.912 1.00 0.00 N ATOM 1001 CA TYR A 62 6.873 -3.537 -7.633 1.00 0.00 C ATOM 1002 C TYR A 62 7.801 -2.557 -8.336 1.00 0.00 C ATOM 1003 O TYR A 62 8.006 -2.643 -9.548 1.00 0.00 O ATOM 1004 CB TYR A 62 7.199 -4.968 -8.075 1.00 0.00 C ATOM 1005 CG TYR A 62 6.434 -6.034 -7.323 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.026 -6.737 -6.281 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.119 -6.339 -7.656 1.00 0.00 C ATOM 1008 CE1 TYR A 62 6.329 -7.711 -5.591 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.418 -7.310 -6.971 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.026 -7.992 -5.940 1.00 0.00 C ATOM 1011 OH TYR A 62 4.326 -8.959 -5.255 1.00 0.00 O ATOM 0 H TYR A 62 5.100 -3.702 -8.724 1.00 0.00 H new ATOM 0 HA TYR A 62 7.026 -3.456 -6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.986 -5.066 -9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.267 -5.143 -7.946 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.047 -6.519 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.639 -5.807 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.803 -8.249 -4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.397 -7.534 -7.242 1.00 0.00 H new ATOM 0 HH TYR A 62 3.669 -9.373 -5.853 1.00 0.00 H new ATOM 1021 N LEU A 63 8.336 -1.614 -7.572 1.00 0.00 N ATOM 1022 CA LEU A 63 9.327 -0.679 -8.093 1.00 0.00 C ATOM 1023 C LEU A 63 10.722 -1.174 -7.729 1.00 0.00 C ATOM 1024 O LEU A 63 11.733 -0.629 -8.170 1.00 0.00 O ATOM 1025 CB LEU A 63 9.096 0.723 -7.518 1.00 0.00 C ATOM 1026 CG LEU A 63 8.854 1.830 -8.551 1.00 0.00 C ATOM 1027 CD1 LEU A 63 10.045 1.965 -9.488 1.00 0.00 C ATOM 1028 CD2 LEU A 63 7.582 1.558 -9.340 1.00 0.00 C ATOM 0 H LEU A 63 8.101 -1.475 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 63 9.232 -0.622 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.239 0.684 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.962 0.996 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 63 8.733 2.772 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.850 2.756 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.936 2.212 -8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.203 1.023 -10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.428 2.355 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.673 0.604 -9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.732 1.520 -8.658 1.00 0.00 H new ATOM 1040 N GLY A 64 10.752 -2.211 -6.910 1.00 0.00 N ATOM 1041 CA GLY A 64 11.998 -2.814 -6.500 1.00 0.00 C ATOM 1042 C GLY A 64 11.755 -3.926 -5.510 1.00 0.00 C ATOM 1043 O GLY A 64 10.603 -4.235 -5.204 1.00 0.00 O ATOM 0 H GLY A 64 9.920 -2.651 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.522 -3.205 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.643 -2.058 -6.053 1.00 0.00 H new ATOM 1047 N LEU A 65 12.820 -4.526 -5.001 1.00 0.00 N ATOM 1048 CA LEU A 65 12.682 -5.582 -4.009 1.00 0.00 C ATOM 1049 C LEU A 65 12.406 -4.982 -2.636 1.00 0.00 C ATOM 1050 O LEU A 65 11.905 -5.654 -1.737 1.00 0.00 O ATOM 1051 CB LEU A 65 13.943 -6.448 -3.970 1.00 0.00 C ATOM 1052 CG LEU A 65 14.249 -7.202 -5.267 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.536 -7.999 -5.132 1.00 0.00 C ATOM 1054 CD2 LEU A 65 13.095 -8.119 -5.640 1.00 0.00 C ATOM 0 H LEU A 65 13.782 -4.303 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 65 11.839 -6.214 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.795 -5.813 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.844 -7.172 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 65 14.378 -6.469 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.736 -8.528 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.362 -7.322 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.434 -8.720 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.333 -8.645 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.933 -8.843 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.191 -7.527 -5.782 1.00 0.00 H new ATOM 1066 N ASP A 66 12.743 -3.709 -2.486 1.00 0.00 N ATOM 1067 CA ASP A 66 12.498 -2.987 -1.243 1.00 0.00 C ATOM 1068 C ASP A 66 11.272 -2.096 -1.371 1.00 0.00 C ATOM 1069 O ASP A 66 10.485 -1.964 -0.434 1.00 0.00 O ATOM 1070 CB ASP A 66 13.712 -2.133 -0.865 1.00 0.00 C ATOM 1071 CG ASP A 66 14.872 -2.956 -0.346 1.00 0.00 C ATOM 1072 OD1 ASP A 66 15.288 -3.910 -1.035 1.00 0.00 O ATOM 1073 OD2 ASP A 66 15.389 -2.635 0.744 1.00 0.00 O ATOM 0 H ASP A 66 13.190 -3.151 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 66 12.322 -3.724 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.037 -1.566 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.418 -1.409 -0.105 1.00 0.00 H new ATOM 1078 N VAL A 67 11.110 -1.497 -2.545 1.00 0.00 N ATOM 1079 CA VAL A 67 10.019 -0.565 -2.783 1.00 0.00 C ATOM 1080 C VAL A 67 8.747 -1.304 -3.185 1.00 0.00 C ATOM 1081 O VAL A 67 8.525 -1.596 -4.363 1.00 0.00 O ATOM 1082 CB VAL A 67 10.375 0.469 -3.875 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.274 1.511 -4.005 1.00 0.00 C ATOM 1084 CG2 VAL A 67 11.712 1.131 -3.573 1.00 0.00 C ATOM 0 H VAL A 67 11.723 -1.642 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 67 9.849 -0.035 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 67 10.463 -0.055 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.543 2.230 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.339 1.020 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.150 2.030 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.944 1.855 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.657 1.640 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.494 0.372 -3.538 1.00 0.00 H new ATOM 1094 N LEU A 68 7.932 -1.629 -2.194 1.00 0.00 N ATOM 1095 CA LEU A 68 6.649 -2.268 -2.430 1.00 0.00 C ATOM 1096 C LEU A 68 5.523 -1.266 -2.248 1.00 0.00 C ATOM 1097 O LEU A 68 5.228 -0.852 -1.127 1.00 0.00 O ATOM 1098 CB LEU A 68 6.440 -3.453 -1.480 1.00 0.00 C ATOM 1099 CG LEU A 68 6.827 -4.828 -2.037 1.00 0.00 C ATOM 1100 CD1 LEU A 68 6.009 -5.140 -3.280 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.316 -4.895 -2.343 1.00 0.00 C ATOM 0 H LEU A 68 8.140 -1.458 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 68 6.643 -2.639 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.017 -3.274 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.390 -3.481 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 68 6.609 -5.579 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.293 -6.119 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.949 -5.143 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.198 -4.382 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.563 -5.881 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.570 -4.135 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.884 -4.717 -1.430 1.00 0.00 H new ATOM 1113 N ILE A 69 4.909 -0.862 -3.349 1.00 0.00 N ATOM 1114 CA ILE A 69 3.784 0.056 -3.292 1.00 0.00 C ATOM 1115 C ILE A 69 2.480 -0.729 -3.276 1.00 0.00 C ATOM 1116 O ILE A 69 1.955 -1.099 -4.322 1.00 0.00 O ATOM 1117 CB ILE A 69 3.786 1.033 -4.489 1.00 0.00 C ATOM 1118 CG1 ILE A 69 5.136 1.749 -4.586 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.652 2.045 -4.348 1.00 0.00 C ATOM 1120 CD1 ILE A 69 5.267 2.643 -5.800 1.00 0.00 C ATOM 0 H ILE A 69 5.170 -1.155 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 69 3.876 0.642 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 69 3.629 0.465 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.285 2.348 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.931 1.004 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.665 2.727 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.697 1.520 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.783 2.612 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.249 3.115 -5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.151 2.047 -6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.495 3.412 -5.771 1.00 0.00 H new ATOM 1132 N ARG A 70 1.977 -1.021 -2.090 1.00 0.00 N ATOM 1133 CA ARG A 70 0.755 -1.798 -1.966 1.00 0.00 C ATOM 1134 C ARG A 70 -0.426 -0.895 -1.646 1.00 0.00 C ATOM 1135 O ARG A 70 -0.377 -0.087 -0.721 1.00 0.00 O ATOM 1136 CB ARG A 70 0.918 -2.921 -0.924 1.00 0.00 C ATOM 1137 CG ARG A 70 1.577 -2.498 0.386 1.00 0.00 C ATOM 1138 CD ARG A 70 0.572 -1.965 1.397 1.00 0.00 C ATOM 1139 NE ARG A 70 -0.345 -3.003 1.872 1.00 0.00 N ATOM 1140 CZ ARG A 70 -1.397 -2.763 2.653 1.00 0.00 C ATOM 1141 NH1 ARG A 70 -1.660 -1.531 3.068 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -2.181 -3.760 3.036 1.00 0.00 N ATOM 0 H ARG A 70 2.392 -0.734 -1.203 1.00 0.00 H new ATOM 0 HA ARG A 70 0.552 -2.276 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.066 -3.334 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.508 -3.724 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.103 -3.350 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.324 -1.731 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.106 -1.539 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.002 -1.157 0.944 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.168 -3.967 1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.055 -0.759 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.468 -1.356 3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.979 -4.713 2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.986 -3.575 3.634 1.00 0.00 H new ATOM 1156 N MET A 71 -1.472 -1.016 -2.443 1.00 0.00 N ATOM 1157 CA MET A 71 -2.680 -0.237 -2.245 1.00 0.00 C ATOM 1158 C MET A 71 -3.889 -1.160 -2.150 1.00 0.00 C ATOM 1159 O MET A 71 -4.121 -1.999 -3.026 1.00 0.00 O ATOM 1160 CB MET A 71 -2.853 0.788 -3.377 1.00 0.00 C ATOM 1161 CG MET A 71 -2.905 0.177 -4.771 1.00 0.00 C ATOM 1162 SD MET A 71 -2.844 1.416 -6.086 1.00 0.00 S ATOM 1163 CE MET A 71 -4.304 2.393 -5.728 1.00 0.00 C ATOM 0 H MET A 71 -1.508 -1.652 -3.240 1.00 0.00 H new ATOM 0 HA MET A 71 -2.595 0.313 -1.308 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.770 1.351 -3.205 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.029 1.501 -3.336 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.070 -0.514 -4.891 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.819 -0.408 -4.872 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.792 2.674 -6.661 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.994 1.807 -5.120 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.016 3.293 -5.184 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.636 -1.019 -1.069 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.814 -1.840 -0.842 1.00 0.00 C ATOM 1175 C GLU A 72 -7.004 -1.240 -1.570 1.00 0.00 C ATOM 1176 O GLU A 72 -7.397 -0.107 -1.300 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.093 -1.960 0.656 1.00 0.00 C ATOM 1178 CG GLU A 72 -4.959 -2.628 1.412 1.00 0.00 C ATOM 1179 CD GLU A 72 -5.207 -2.709 2.900 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -6.108 -3.466 3.313 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -4.483 -2.035 3.665 1.00 0.00 O ATOM 0 H GLU A 72 -4.447 -0.341 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.637 -2.842 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.264 -0.966 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.010 -2.530 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.811 -3.634 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.036 -2.077 1.233 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.569 -2.000 -2.492 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.582 -1.479 -3.396 1.00 0.00 C ATOM 1190 C ILE A 73 -9.816 -2.374 -3.447 1.00 0.00 C ATOM 1191 O ILE A 73 -9.779 -3.540 -3.055 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.010 -1.331 -4.825 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.363 -2.650 -5.267 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.008 -0.187 -4.890 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.673 -2.592 -6.612 1.00 0.00 C ATOM 0 H ILE A 73 -7.343 -2.984 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.878 -0.503 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.827 -1.096 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.637 -2.954 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.131 -3.423 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.619 -0.102 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.501 0.744 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.186 -0.384 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.245 -3.567 -6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.397 -2.322 -7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.880 -1.845 -6.582 1.00 0.00 H new ATOM 1207 N SER A 74 -10.910 -1.806 -3.915 1.00 0.00 N ATOM 1208 CA SER A 74 -12.113 -2.561 -4.199 1.00 0.00 C ATOM 1209 C SER A 74 -12.604 -2.196 -5.589 1.00 0.00 C ATOM 1210 O SER A 74 -12.567 -1.024 -5.969 1.00 0.00 O ATOM 1211 CB SER A 74 -13.185 -2.272 -3.146 1.00 0.00 C ATOM 1212 OG SER A 74 -13.286 -0.882 -2.886 1.00 0.00 O ATOM 0 H SER A 74 -10.989 -0.808 -4.109 1.00 0.00 H new ATOM 0 HA SER A 74 -11.896 -3.629 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.147 -2.651 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.945 -2.801 -2.224 1.00 0.00 H new ATOM 0 HG SER A 74 -14.079 -0.709 -2.336 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.032 -3.186 -6.358 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.443 -2.935 -7.730 1.00 0.00 C ATOM 1220 C LEU A 75 -14.718 -2.102 -7.769 1.00 0.00 C ATOM 1221 O LEU A 75 -15.796 -2.571 -7.397 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.664 -4.233 -8.502 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.949 -4.007 -9.980 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.661 -3.928 -10.780 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.883 -5.067 -10.545 1.00 0.00 C ATOM 0 H LEU A 75 -13.103 -4.159 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.633 -2.383 -8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.781 -4.864 -8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.497 -4.777 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.459 -3.048 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.896 -3.766 -11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.054 -3.101 -10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.107 -4.860 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.061 -4.869 -11.602 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.428 -6.051 -10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.830 -5.041 -10.007 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.587 -0.867 -8.220 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.724 0.034 -8.316 1.00 0.00 C ATOM 1239 C ALA A 76 -16.025 0.362 -9.769 1.00 0.00 C ATOM 1240 O ALA A 76 -17.047 0.975 -10.081 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.457 1.306 -7.530 1.00 0.00 C ATOM 0 H ALA A 76 -13.702 -0.463 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.595 -0.463 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.317 1.971 -7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.288 1.058 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.574 1.804 -7.932 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.137 -0.063 -10.654 1.00 0.00 N ATOM 1248 CA TRP A 77 -15.266 0.233 -12.068 1.00 0.00 C ATOM 1249 C TRP A 77 -15.055 -1.018 -12.882 1.00 0.00 C ATOM 1250 O TRP A 77 -14.275 -1.894 -12.524 1.00 0.00 O ATOM 1251 CB TRP A 77 -14.230 1.260 -12.478 1.00 0.00 C ATOM 1252 CG TRP A 77 -14.666 2.281 -13.481 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.454 3.369 -13.244 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.287 2.352 -14.862 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -15.589 4.110 -14.390 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.883 3.508 -15.394 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -13.503 1.554 -15.701 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -14.713 3.886 -16.720 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.341 1.928 -17.013 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.939 3.087 -17.513 1.00 0.00 C ATOM 0 H TRP A 77 -14.315 -0.617 -10.414 1.00 0.00 H new ATOM 0 HA TRP A 77 -16.267 0.624 -12.248 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -13.894 1.783 -11.582 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -13.366 0.732 -12.882 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.905 3.611 -12.293 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -16.129 4.971 -14.479 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -13.032 0.658 -15.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -15.176 4.780 -17.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -12.741 1.315 -17.669 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -13.786 3.357 -18.548 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.726 -1.049 -13.992 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.674 -2.176 -14.907 1.00 0.00 C ATOM 1273 C ALA A 78 -16.185 -1.760 -16.271 1.00 0.00 C ATOM 1274 O ALA A 78 -17.343 -1.384 -16.426 1.00 0.00 O ATOM 1275 CB ALA A 78 -16.477 -3.351 -14.369 1.00 0.00 C ATOM 0 H ALA A 78 -16.335 -0.292 -14.302 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.637 -2.496 -15.003 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.422 -4.182 -15.072 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.068 -3.662 -13.408 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -17.517 -3.052 -14.241 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.303 -1.812 -17.246 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.626 -1.390 -18.592 1.00 0.00 C ATOM 1283 C ARG A 79 -15.082 -2.405 -19.598 1.00 0.00 C ATOM 1284 O ARG A 79 -14.059 -2.166 -20.245 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.008 -0.018 -18.832 1.00 0.00 C ATOM 1286 CG ARG A 79 -15.668 0.815 -19.913 1.00 0.00 C ATOM 1287 CD ARG A 79 -16.907 1.548 -19.404 1.00 0.00 C ATOM 1288 NE ARG A 79 -17.995 0.646 -19.018 1.00 0.00 N ATOM 1289 CZ ARG A 79 -19.092 1.038 -18.367 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -19.250 2.308 -18.011 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -20.040 0.153 -18.081 1.00 0.00 N ATOM 0 H ARG A 79 -14.346 -2.146 -17.129 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.707 -1.330 -18.718 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.036 0.542 -17.898 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.958 -0.152 -19.091 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.952 1.541 -20.298 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.947 0.170 -20.746 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.631 2.162 -18.546 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.264 2.226 -20.179 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.909 -0.341 -19.261 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.529 2.994 -18.235 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.092 2.597 -17.514 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.928 -0.822 -18.359 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.880 0.448 -17.584 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.751 -3.554 -19.676 1.00 0.00 N ATOM 1306 CA ASP A 80 -15.391 -4.635 -20.602 1.00 0.00 C ATOM 1307 C ASP A 80 -14.036 -5.262 -20.254 1.00 0.00 C ATOM 1308 O ASP A 80 -13.975 -6.289 -19.579 1.00 0.00 O ATOM 1309 CB ASP A 80 -15.395 -4.140 -22.053 1.00 0.00 C ATOM 1310 CG ASP A 80 -14.998 -5.220 -23.036 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -15.800 -6.151 -23.264 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.888 -5.132 -23.603 1.00 0.00 O ATOM 0 H ASP A 80 -16.563 -3.766 -19.097 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.150 -5.410 -20.496 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.390 -3.772 -22.305 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.710 -3.298 -22.148 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.956 -4.641 -20.710 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.627 -5.151 -20.431 1.00 0.00 C ATOM 1319 C GLY A 81 -10.813 -4.177 -19.608 1.00 0.00 C ATOM 1320 O GLY A 81 -9.730 -4.506 -19.122 1.00 0.00 O ATOM 0 H GLY A 81 -12.977 -3.789 -21.271 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.706 -6.099 -19.899 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.111 -5.354 -21.369 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.345 -2.976 -19.452 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.689 -1.936 -18.679 1.00 0.00 C ATOM 1326 C LEU A 82 -11.397 -1.782 -17.346 1.00 0.00 C ATOM 1327 O LEU A 82 -12.550 -1.370 -17.299 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.732 -0.619 -19.452 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.157 -0.690 -20.868 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.455 0.590 -21.630 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.660 -0.948 -20.818 1.00 0.00 C ATOM 0 H LEU A 82 -12.239 -2.696 -19.855 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.648 -2.208 -18.503 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.767 -0.282 -19.511 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.183 0.135 -18.889 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.632 -1.518 -21.394 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.038 0.521 -22.635 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.534 0.733 -21.694 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.007 1.436 -21.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.265 -0.996 -21.833 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.169 -0.140 -20.275 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.471 -1.893 -20.310 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.726 -2.124 -16.263 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.374 -2.112 -14.963 1.00 0.00 C ATOM 1345 C LEU A 83 -10.657 -1.178 -14.007 1.00 0.00 C ATOM 1346 O LEU A 83 -9.431 -1.051 -14.043 1.00 0.00 O ATOM 1347 CB LEU A 83 -11.455 -3.522 -14.374 1.00 0.00 C ATOM 1348 CG LEU A 83 -12.235 -4.533 -15.219 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -11.304 -5.290 -16.153 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -13.006 -5.493 -14.330 1.00 0.00 C ATOM 0 H LEU A 83 -9.747 -2.410 -16.254 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.390 -1.744 -15.104 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.442 -3.897 -14.229 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.917 -3.462 -13.389 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.952 -3.984 -15.830 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.881 -6.002 -16.743 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.806 -4.586 -16.820 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.557 -5.825 -15.567 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.553 -6.203 -14.950 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.310 -6.033 -13.688 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.709 -4.933 -13.713 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.434 -0.531 -13.157 1.00 0.00 N ATOM 1363 CA GLY A 84 -10.884 0.425 -12.227 1.00 0.00 C ATOM 1364 C GLY A 84 -11.186 0.055 -10.795 1.00 0.00 C ATOM 1365 O GLY A 84 -12.272 -0.441 -10.485 1.00 0.00 O ATOM 0 H GLY A 84 -12.445 -0.653 -13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.805 0.487 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.290 1.414 -12.440 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.232 0.290 -9.924 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.381 -0.059 -8.527 1.00 0.00 C ATOM 1371 C PHE A 85 -10.306 1.188 -7.663 1.00 0.00 C ATOM 1372 O PHE A 85 -9.379 1.982 -7.805 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.284 -1.035 -8.103 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.235 -2.308 -8.906 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.614 -2.341 -10.145 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.797 -3.473 -8.413 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.558 -3.510 -10.876 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.745 -4.646 -9.142 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.125 -4.664 -10.375 1.00 0.00 C ATOM 0 H PHE A 85 -9.339 0.724 -10.158 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.354 -0.532 -8.394 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.319 -0.534 -8.181 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.427 -1.288 -7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.169 -1.441 -10.543 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.282 -3.465 -7.448 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.071 -3.522 -11.840 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.189 -5.548 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.084 -5.579 -10.947 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.278 1.360 -6.782 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.266 2.464 -5.835 1.00 0.00 C ATOM 1391 C GLU A 86 -10.400 2.104 -4.644 1.00 0.00 C ATOM 1392 O GLU A 86 -10.555 1.026 -4.060 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.685 2.808 -5.385 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.306 3.955 -6.164 1.00 0.00 C ATOM 1395 CD GLU A 86 -12.702 5.296 -5.798 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -13.273 5.990 -4.926 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -11.649 5.655 -6.358 1.00 0.00 O ATOM 0 H GLU A 86 -12.089 0.746 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.849 3.344 -6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.315 1.925 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.670 3.065 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.174 3.779 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.379 3.979 -5.976 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.481 2.984 -4.299 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.505 2.697 -3.272 1.00 0.00 C ATOM 1406 C CYS A 87 -9.068 2.993 -1.885 1.00 0.00 C ATOM 1407 O CYS A 87 -9.524 4.102 -1.604 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.219 3.490 -3.524 1.00 0.00 C ATOM 1409 SG CYS A 87 -5.823 2.952 -2.514 1.00 0.00 S ATOM 0 H CYS A 87 -9.391 3.909 -4.719 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.266 1.634 -3.312 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.949 3.402 -4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.410 4.546 -3.331 1.00 0.00 H new ATOM 0 HG CYS A 87 -6.117 1.828 -1.930 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.036 1.981 -1.028 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.556 2.092 0.326 1.00 0.00 C ATOM 1417 C GLN A 88 -8.469 2.600 1.261 1.00 0.00 C ATOM 1418 O GLN A 88 -8.677 3.536 2.034 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.041 0.728 0.818 1.00 0.00 C ATOM 1420 CG GLN A 88 -10.952 0.009 -0.158 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.260 -1.406 0.285 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -10.455 -2.050 0.960 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -12.424 -1.903 -0.094 1.00 0.00 N ATOM 0 H GLN A 88 -8.650 1.064 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.390 2.793 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.175 0.098 1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.569 0.860 1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.883 0.566 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.483 -0.014 -1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.063 -1.337 -0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.684 -2.853 0.172 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.303 1.970 1.177 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.184 2.308 2.041 1.00 0.00 C ATOM 1434 C HIS A 89 -4.923 2.542 1.223 1.00 0.00 C ATOM 1435 O HIS A 89 -4.412 1.627 0.572 1.00 0.00 O ATOM 1436 CB HIS A 89 -5.943 1.196 3.075 1.00 0.00 C ATOM 1437 CG HIS A 89 -4.739 1.423 3.947 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -4.790 2.093 5.149 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -3.446 1.058 3.783 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -3.583 2.134 5.681 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -2.750 1.511 4.873 1.00 0.00 N ATOM 0 H HIS A 89 -7.110 1.219 0.515 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.432 3.229 2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -6.826 1.105 3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.827 0.247 2.552 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.038 0.510 2.947 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.322 2.600 6.620 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.750 1.386 5.033 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.435 3.771 1.257 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.169 4.108 0.633 1.00 0.00 C ATOM 1452 C ILE A 90 -2.174 4.488 1.711 1.00 0.00 C ATOM 1453 O ILE A 90 -2.378 5.471 2.425 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.287 5.290 -0.354 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.738 5.483 -0.809 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -2.376 5.050 -1.553 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.938 6.658 -1.743 1.00 0.00 C ATOM 0 H ILE A 90 -4.901 4.555 1.713 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.843 3.232 0.072 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.975 6.202 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.076 4.574 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.369 5.619 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.461 5.886 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.344 4.964 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.671 4.129 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.990 6.728 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.633 7.577 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.335 6.516 -2.640 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.117 3.708 1.851 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.111 3.995 2.860 1.00 0.00 C ATOM 1471 C ASP A 91 0.655 5.258 2.490 1.00 0.00 C ATOM 1472 O ASP A 91 0.843 5.561 1.310 1.00 0.00 O ATOM 1473 CB ASP A 91 0.845 2.813 3.039 1.00 0.00 C ATOM 1474 CG ASP A 91 0.159 1.606 3.646 1.00 0.00 C ATOM 1475 OD1 ASP A 91 -0.071 1.601 4.876 1.00 0.00 O ATOM 1476 OD2 ASP A 91 -0.163 0.656 2.903 1.00 0.00 O ATOM 0 H ASP A 91 -0.933 2.879 1.286 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.616 4.158 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.267 2.540 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.677 3.114 3.676 1.00 0.00 H new ATOM 1481 N LEU A 92 1.093 5.993 3.502 1.00 0.00 N ATOM 1482 CA LEU A 92 1.739 7.281 3.293 1.00 0.00 C ATOM 1483 C LEU A 92 3.025 7.124 2.497 1.00 0.00 C ATOM 1484 O LEU A 92 3.331 7.942 1.630 1.00 0.00 O ATOM 1485 CB LEU A 92 2.034 7.972 4.629 1.00 0.00 C ATOM 1486 CG LEU A 92 0.834 8.642 5.314 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -0.179 7.613 5.798 1.00 0.00 C ATOM 1488 CD2 LEU A 92 1.310 9.503 6.469 1.00 0.00 C ATOM 0 H LEU A 92 1.012 5.718 4.481 1.00 0.00 H new ATOM 0 HA LEU A 92 1.050 7.904 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.454 7.234 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.802 8.727 4.464 1.00 0.00 H new ATOM 0 HG LEU A 92 0.335 9.274 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.015 8.123 6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.545 7.036 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.297 6.943 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.452 9.974 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.835 8.881 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.985 10.273 6.095 1.00 0.00 H new ATOM 1500 N ASP A 93 3.767 6.062 2.781 1.00 0.00 N ATOM 1501 CA ASP A 93 4.999 5.790 2.057 1.00 0.00 C ATOM 1502 C ASP A 93 4.691 5.484 0.596 1.00 0.00 C ATOM 1503 O ASP A 93 5.404 5.925 -0.305 1.00 0.00 O ATOM 1504 CB ASP A 93 5.762 4.630 2.697 1.00 0.00 C ATOM 1505 CG ASP A 93 7.087 4.363 2.009 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.981 5.235 2.073 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.244 3.285 1.399 1.00 0.00 O ATOM 0 H ASP A 93 3.538 5.379 3.503 1.00 0.00 H new ATOM 0 HA ASP A 93 5.631 6.677 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.940 4.852 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.148 3.730 2.660 1.00 0.00 H new ATOM 1512 N SER A 94 3.603 4.755 0.367 1.00 0.00 N ATOM 1513 CA SER A 94 3.151 4.445 -0.982 1.00 0.00 C ATOM 1514 C SER A 94 2.887 5.732 -1.760 1.00 0.00 C ATOM 1515 O SER A 94 3.387 5.913 -2.870 1.00 0.00 O ATOM 1516 CB SER A 94 1.880 3.598 -0.916 1.00 0.00 C ATOM 1517 OG SER A 94 1.979 2.631 0.113 1.00 0.00 O ATOM 0 H SER A 94 3.016 4.366 1.105 1.00 0.00 H new ATOM 0 HA SER A 94 3.929 3.882 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.017 4.240 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.716 3.103 -1.873 1.00 0.00 H new ATOM 0 HG SER A 94 1.233 2.000 0.041 1.00 0.00 H new ATOM 1523 N ILE A 95 2.124 6.635 -1.148 1.00 0.00 N ATOM 1524 CA ILE A 95 1.804 7.922 -1.760 1.00 0.00 C ATOM 1525 C ILE A 95 3.074 8.734 -2.012 1.00 0.00 C ATOM 1526 O ILE A 95 3.216 9.388 -3.048 1.00 0.00 O ATOM 1527 CB ILE A 95 0.842 8.740 -0.868 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.425 7.932 -0.566 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.483 10.061 -1.543 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.388 8.632 0.367 1.00 0.00 C ATOM 0 H ILE A 95 1.714 6.498 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 95 1.314 7.717 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 95 1.346 8.958 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.937 7.712 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.139 6.976 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.195 10.625 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.390 10.642 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.003 9.861 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.259 7.998 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.895 8.827 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.705 9.575 -0.078 1.00 0.00 H new ATOM 1542 N SER A 96 4.004 8.666 -1.069 1.00 0.00 N ATOM 1543 CA SER A 96 5.258 9.396 -1.179 1.00 0.00 C ATOM 1544 C SER A 96 6.077 8.894 -2.367 1.00 0.00 C ATOM 1545 O SER A 96 6.663 9.690 -3.101 1.00 0.00 O ATOM 1546 CB SER A 96 6.053 9.268 0.122 1.00 0.00 C ATOM 1547 OG SER A 96 5.275 9.703 1.228 1.00 0.00 O ATOM 0 H SER A 96 3.913 8.111 -0.218 1.00 0.00 H new ATOM 0 HA SER A 96 5.035 10.449 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.356 8.231 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.965 9.861 0.057 1.00 0.00 H new ATOM 0 HG SER A 96 4.579 9.040 1.420 1.00 0.00 H new ATOM 1553 N HIS A 97 6.097 7.576 -2.569 1.00 0.00 N ATOM 1554 CA HIS A 97 6.786 6.999 -3.721 1.00 0.00 C ATOM 1555 C HIS A 97 6.180 7.525 -5.013 1.00 0.00 C ATOM 1556 O HIS A 97 6.902 7.895 -5.936 1.00 0.00 O ATOM 1557 CB HIS A 97 6.730 5.466 -3.719 1.00 0.00 C ATOM 1558 CG HIS A 97 7.581 4.817 -2.670 1.00 0.00 C ATOM 1559 ND1 HIS A 97 8.950 4.973 -2.594 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.243 3.997 -1.652 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.411 4.272 -1.573 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.394 3.671 -0.983 1.00 0.00 N ATOM 0 H HIS A 97 5.649 6.895 -1.956 1.00 0.00 H new ATOM 0 HA HIS A 97 7.832 7.297 -3.652 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.696 5.152 -3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.041 5.102 -4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.246 3.659 -1.409 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.446 4.202 -1.272 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.455 3.065 -0.165 1.00 0.00 H new ATOM 1571 N LEU A 98 4.850 7.567 -5.062 1.00 0.00 N ATOM 1572 CA LEU A 98 4.141 8.077 -6.229 1.00 0.00 C ATOM 1573 C LEU A 98 4.514 9.528 -6.500 1.00 0.00 C ATOM 1574 O LEU A 98 4.944 9.864 -7.602 1.00 0.00 O ATOM 1575 CB LEU A 98 2.623 7.954 -6.045 1.00 0.00 C ATOM 1576 CG LEU A 98 1.989 6.677 -6.607 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.202 6.591 -8.110 1.00 0.00 C ATOM 1578 CD2 LEU A 98 2.545 5.440 -5.920 1.00 0.00 C ATOM 0 H LEU A 98 4.243 7.253 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 98 4.439 7.473 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.398 8.011 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.147 8.813 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 98 0.918 6.720 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.745 5.678 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.744 7.454 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.270 6.579 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.077 4.549 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.623 5.391 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.335 5.492 -4.852 1.00 0.00 H new ATOM 1590 N ARG A 99 4.373 10.382 -5.488 1.00 0.00 N ATOM 1591 CA ARG A 99 4.667 11.800 -5.655 1.00 0.00 C ATOM 1592 C ARG A 99 6.108 12.021 -6.101 1.00 0.00 C ATOM 1593 O ARG A 99 6.355 12.804 -7.008 1.00 0.00 O ATOM 1594 CB ARG A 99 4.400 12.599 -4.373 1.00 0.00 C ATOM 1595 CG ARG A 99 4.818 14.057 -4.512 1.00 0.00 C ATOM 1596 CD ARG A 99 4.521 14.884 -3.274 1.00 0.00 C ATOM 1597 NE ARG A 99 5.110 16.220 -3.391 1.00 0.00 N ATOM 1598 CZ ARG A 99 4.424 17.325 -3.685 1.00 0.00 C ATOM 1599 NH1 ARG A 99 3.098 17.293 -3.760 1.00 0.00 N ATOM 1600 NH2 ARG A 99 5.067 18.472 -3.875 1.00 0.00 N ATOM 0 H ARG A 99 4.060 10.119 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 99 3.994 12.163 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.339 12.548 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.941 12.144 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.886 14.104 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.303 14.496 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.443 14.967 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.918 14.382 -2.391 1.00 0.00 H new ATOM 0 HE ARG A 99 6.114 16.311 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.599 16.420 -3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.579 18.142 -3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.083 18.506 -3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.544 19.318 -4.100 1.00 0.00 H new ATOM 1614 N ARG A 100 7.052 11.330 -5.475 1.00 0.00 N ATOM 1615 CA ARG A 100 8.458 11.504 -5.823 1.00 0.00 C ATOM 1616 C ARG A 100 8.728 11.054 -7.253 1.00 0.00 C ATOM 1617 O ARG A 100 9.432 11.729 -8.002 1.00 0.00 O ATOM 1618 CB ARG A 100 9.373 10.748 -4.857 1.00 0.00 C ATOM 1619 CG ARG A 100 9.325 11.263 -3.427 1.00 0.00 C ATOM 1620 CD ARG A 100 10.621 10.960 -2.692 1.00 0.00 C ATOM 1621 NE ARG A 100 11.751 11.674 -3.288 1.00 0.00 N ATOM 1622 CZ ARG A 100 13.018 11.261 -3.232 1.00 0.00 C ATOM 1623 NH1 ARG A 100 13.335 10.145 -2.582 1.00 0.00 N ATOM 1624 NH2 ARG A 100 13.972 11.980 -3.816 1.00 0.00 N ATOM 0 H ARG A 100 6.875 10.652 -4.733 1.00 0.00 H new ATOM 0 HA ARG A 100 8.679 12.568 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.097 9.694 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.399 10.811 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.148 12.339 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.489 10.804 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.522 11.243 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.813 9.887 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 100 11.556 12.546 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.607 9.598 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.306 9.836 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.733 12.843 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.942 11.668 -3.776 1.00 0.00 H new ATOM 1638 N LEU A 101 8.150 9.923 -7.636 1.00 0.00 N ATOM 1639 CA LEU A 101 8.341 9.387 -8.978 1.00 0.00 C ATOM 1640 C LEU A 101 7.792 10.352 -10.025 1.00 0.00 C ATOM 1641 O LEU A 101 8.428 10.601 -11.053 1.00 0.00 O ATOM 1642 CB LEU A 101 7.660 8.021 -9.102 1.00 0.00 C ATOM 1643 CG LEU A 101 7.893 7.289 -10.425 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.379 7.035 -10.637 1.00 0.00 C ATOM 1645 CD2 LEU A 101 7.124 5.981 -10.444 1.00 0.00 C ATOM 0 H LEU A 101 7.546 9.360 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 101 9.410 9.264 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.009 7.385 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.587 8.155 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 101 7.531 7.917 -11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.528 6.514 -11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.911 7.986 -10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.764 6.423 -9.821 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.298 5.470 -11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.461 5.349 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.059 6.183 -10.332 1.00 0.00 H new ATOM 1657 N VAL A 102 6.619 10.908 -9.748 1.00 0.00 N ATOM 1658 CA VAL A 102 5.989 11.865 -10.648 1.00 0.00 C ATOM 1659 C VAL A 102 6.765 13.182 -10.678 1.00 0.00 C ATOM 1660 O VAL A 102 6.922 13.789 -11.730 1.00 0.00 O ATOM 1661 CB VAL A 102 4.523 12.137 -10.241 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.900 13.197 -11.137 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.708 10.853 -10.298 1.00 0.00 C ATOM 0 H VAL A 102 6.083 10.711 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 102 5.999 11.425 -11.645 1.00 0.00 H new ATOM 0 HB VAL A 102 4.519 12.509 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.868 13.371 -10.831 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.466 14.125 -11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.919 12.855 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.678 11.063 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.726 10.455 -11.313 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.135 10.120 -9.614 1.00 0.00 H new ATOM 1673 N GLU A 103 7.266 13.598 -9.522 1.00 0.00 N ATOM 1674 CA GLU A 103 8.000 14.855 -9.397 1.00 0.00 C ATOM 1675 C GLU A 103 9.347 14.781 -10.113 1.00 0.00 C ATOM 1676 O GLU A 103 9.730 15.708 -10.828 1.00 0.00 O ATOM 1677 CB GLU A 103 8.205 15.194 -7.921 1.00 0.00 C ATOM 1678 CG GLU A 103 8.894 16.527 -7.682 1.00 0.00 C ATOM 1679 CD GLU A 103 9.138 16.791 -6.214 1.00 0.00 C ATOM 1680 OE1 GLU A 103 8.336 17.514 -5.591 1.00 0.00 O ATOM 1681 OE2 GLU A 103 10.136 16.271 -5.672 1.00 0.00 O ATOM 0 H GLU A 103 7.177 13.079 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 103 7.411 15.642 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.235 15.204 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.794 14.404 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.845 16.543 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.283 17.329 -8.097 1.00 0.00 H new ATOM 1688 N LEU A 104 10.057 13.673 -9.923 1.00 0.00 N ATOM 1689 CA LEU A 104 11.355 13.468 -10.567 1.00 0.00 C ATOM 1690 C LEU A 104 11.209 13.426 -12.084 1.00 0.00 C ATOM 1691 O LEU A 104 12.049 13.950 -12.813 1.00 0.00 O ATOM 1692 CB LEU A 104 12.018 12.181 -10.063 1.00 0.00 C ATOM 1693 CG LEU A 104 12.977 12.348 -8.876 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.275 12.972 -7.679 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.579 11.005 -8.493 1.00 0.00 C ATOM 0 H LEU A 104 9.757 12.901 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 104 11.993 14.312 -10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.235 11.478 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.567 11.729 -10.889 1.00 0.00 H new ATOM 0 HG LEU A 104 13.777 13.022 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.982 13.076 -6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.891 13.954 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.448 12.333 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.257 11.137 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.782 10.316 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.130 10.598 -9.341 1.00 0.00 H new ATOM 1707 N ASN A 105 10.132 12.812 -12.555 1.00 0.00 N ATOM 1708 CA ASN A 105 9.851 12.765 -13.988 1.00 0.00 C ATOM 1709 C ASN A 105 9.188 14.054 -14.445 1.00 0.00 C ATOM 1710 O ASN A 105 9.188 14.374 -15.635 1.00 0.00 O ATOM 1711 CB ASN A 105 8.958 11.570 -14.336 1.00 0.00 C ATOM 1712 CG ASN A 105 9.725 10.265 -14.392 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.275 9.904 -15.430 1.00 0.00 O ATOM 1714 ND2 ASN A 105 9.751 9.537 -13.285 1.00 0.00 N ATOM 0 H ASN A 105 9.440 12.341 -11.971 1.00 0.00 H new ATOM 0 HA ASN A 105 10.802 12.650 -14.509 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.163 11.488 -13.595 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.479 11.747 -15.299 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.240 8.642 -13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.282 9.872 -12.443 1.00 0.00 H new ATOM 1721 N LEU A 106 8.631 14.787 -13.480 1.00 0.00 N ATOM 1722 CA LEU A 106 7.903 16.028 -13.736 1.00 0.00 C ATOM 1723 C LEU A 106 6.711 15.751 -14.656 1.00 0.00 C ATOM 1724 O LEU A 106 6.335 16.575 -15.489 1.00 0.00 O ATOM 1725 CB LEU A 106 8.850 17.077 -14.338 1.00 0.00 C ATOM 1726 CG LEU A 106 8.329 18.512 -14.349 1.00 0.00 C ATOM 1727 CD1 LEU A 106 7.977 18.961 -12.939 1.00 0.00 C ATOM 1728 CD2 LEU A 106 9.368 19.439 -14.957 1.00 0.00 C ATOM 0 H LEU A 106 8.673 14.534 -12.493 1.00 0.00 H new ATOM 0 HA LEU A 106 7.517 16.427 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.787 17.055 -13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.080 16.786 -15.363 1.00 0.00 H new ATOM 0 HG LEU A 106 7.425 18.551 -14.957 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.607 19.986 -12.965 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.206 18.307 -12.531 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.865 18.912 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.987 20.460 -14.960 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.284 19.395 -14.368 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.580 19.127 -15.980 1.00 0.00 H new ATOM 1740 N GLY A 107 6.102 14.585 -14.467 1.00 0.00 N ATOM 1741 CA GLY A 107 5.039 14.146 -15.349 1.00 0.00 C ATOM 1742 C GLY A 107 3.655 14.368 -14.774 1.00 0.00 C ATOM 1743 O GLY A 107 2.939 13.407 -14.503 1.00 0.00 O ATOM 0 H GLY A 107 6.328 13.934 -13.715 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.121 14.677 -16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.170 13.086 -15.565 1.00 0.00 H new ATOM 1747 N ASP A 108 3.300 15.636 -14.579 1.00 0.00 N ATOM 1748 CA ASP A 108 1.946 16.031 -14.168 1.00 0.00 C ATOM 1749 C ASP A 108 1.566 15.516 -12.782 1.00 0.00 C ATOM 1750 O ASP A 108 1.109 14.384 -12.625 1.00 0.00 O ATOM 1751 CB ASP A 108 0.901 15.556 -15.185 1.00 0.00 C ATOM 1752 CG ASP A 108 0.926 16.341 -16.478 1.00 0.00 C ATOM 1753 OD1 ASP A 108 1.757 16.036 -17.354 1.00 0.00 O ATOM 1754 OD2 ASP A 108 0.078 17.242 -16.644 1.00 0.00 O ATOM 0 H ASP A 108 3.939 16.422 -14.700 1.00 0.00 H new ATOM 0 HA ASP A 108 1.956 17.120 -14.126 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.070 14.502 -15.404 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.091 15.634 -14.740 1.00 0.00 H new ATOM 1759 N GLU A 109 1.723 16.365 -11.777 1.00 0.00 N ATOM 1760 CA GLU A 109 1.246 16.055 -10.432 1.00 0.00 C ATOM 1761 C GLU A 109 -0.277 16.041 -10.433 1.00 0.00 C ATOM 1762 O GLU A 109 -0.920 15.276 -9.712 1.00 0.00 O ATOM 1763 CB GLU A 109 1.725 17.110 -9.439 1.00 0.00 C ATOM 1764 CG GLU A 109 3.231 17.231 -9.335 1.00 0.00 C ATOM 1765 CD GLU A 109 3.638 18.434 -8.513 1.00 0.00 C ATOM 1766 OE1 GLU A 109 3.486 18.394 -7.276 1.00 0.00 O ATOM 1767 OE2 GLU A 109 4.087 19.435 -9.108 1.00 0.00 O ATOM 0 H GLU A 109 2.177 17.274 -11.865 1.00 0.00 H new ATOM 0 HA GLU A 109 1.637 15.081 -10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 109 1.314 18.077 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.322 16.874 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.639 16.327 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.660 17.310 -10.334 1.00 0.00 H new ATOM 1774 N GLU A 110 -0.832 16.894 -11.284 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.272 17.103 -11.382 1.00 0.00 C ATOM 1776 C GLU A 110 -2.982 15.878 -11.952 1.00 0.00 C ATOM 1777 O GLU A 110 -4.213 15.815 -11.963 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.532 18.314 -12.271 1.00 0.00 C ATOM 1779 CG GLU A 110 -1.829 19.570 -11.787 1.00 0.00 C ATOM 1780 CD GLU A 110 -1.690 20.607 -12.876 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -0.636 20.626 -13.545 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -2.628 21.411 -13.063 1.00 0.00 O ATOM 0 H GLU A 110 -0.291 17.466 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.668 17.274 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.204 18.089 -13.286 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.605 18.500 -12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.386 19.996 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.840 19.308 -11.410 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.203 14.911 -12.417 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.745 13.693 -12.995 1.00 0.00 C ATOM 1791 C LEU A 111 -3.509 12.903 -11.934 1.00 0.00 C ATOM 1792 O LEU A 111 -4.596 12.391 -12.191 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.595 12.862 -13.577 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.983 11.765 -14.569 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.776 11.383 -15.402 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.528 10.535 -13.860 1.00 0.00 C ATOM 0 H LEU A 111 -1.184 14.950 -12.404 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.443 13.941 -13.794 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.900 13.540 -14.072 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.055 12.400 -12.751 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.771 12.156 -15.213 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.054 10.601 -16.109 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.420 12.256 -15.949 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.016 11.017 -14.749 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.793 9.777 -14.598 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.769 10.137 -13.187 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.414 10.808 -13.286 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.945 12.857 -10.731 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.523 12.092 -9.631 1.00 0.00 C ATOM 1810 C LEU A 112 -4.845 12.695 -9.164 1.00 0.00 C ATOM 1811 O LEU A 112 -5.663 12.011 -8.545 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.540 12.036 -8.459 1.00 0.00 C ATOM 1813 CG LEU A 112 -1.200 11.364 -8.763 1.00 0.00 C ATOM 1814 CD1 LEU A 112 -0.277 11.448 -7.556 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -1.412 9.912 -9.168 1.00 0.00 C ATOM 0 H LEU A 112 -2.082 13.345 -10.492 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.720 11.083 -9.994 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.349 13.053 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.014 11.506 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.732 11.890 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.672 10.965 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.100 12.494 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.741 10.945 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.448 9.449 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.901 9.375 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.039 9.871 -10.059 1.00 0.00 H new ATOM 1827 N GLU A 113 -5.049 13.973 -9.469 1.00 0.00 N ATOM 1828 CA GLU A 113 -6.250 14.682 -9.040 1.00 0.00 C ATOM 1829 C GLU A 113 -7.455 14.293 -9.887 1.00 0.00 C ATOM 1830 O GLU A 113 -8.597 14.401 -9.442 1.00 0.00 O ATOM 1831 CB GLU A 113 -6.036 16.196 -9.112 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.910 16.697 -8.227 1.00 0.00 C ATOM 1833 CD GLU A 113 -5.057 16.249 -6.788 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -6.091 16.562 -6.157 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -4.129 15.594 -6.271 1.00 0.00 O ATOM 0 H GLU A 113 -4.397 14.539 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.448 14.397 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.826 16.475 -10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.961 16.698 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.958 16.340 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -4.881 17.786 -8.263 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.196 13.827 -11.101 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.261 13.443 -12.009 1.00 0.00 C ATOM 1844 C ARG A 114 -8.970 12.204 -11.485 1.00 0.00 C ATOM 1845 O ARG A 114 -8.355 11.339 -10.867 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.711 13.195 -13.413 1.00 0.00 C ATOM 1847 CG ARG A 114 -6.986 14.397 -13.994 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.700 14.226 -15.477 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.833 13.082 -15.768 1.00 0.00 N ATOM 1850 CZ ARG A 114 -4.727 13.166 -16.505 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -4.291 14.354 -16.908 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -4.045 12.068 -16.820 1.00 0.00 N ATOM 0 H ARG A 114 -6.256 13.707 -11.478 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.980 14.260 -12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.028 12.346 -13.384 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.533 12.920 -14.074 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.589 15.292 -13.842 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.049 14.549 -13.459 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.643 14.105 -16.011 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.233 15.134 -15.858 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.090 12.172 -15.386 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.803 15.199 -16.653 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.444 14.422 -17.473 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -4.369 11.156 -16.497 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.199 12.138 -17.385 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.264 12.122 -11.739 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.091 11.078 -11.163 1.00 0.00 C ATOM 1868 C GLU A 115 -10.983 9.809 -12.006 1.00 0.00 C ATOM 1869 O GLU A 115 -10.607 9.876 -13.173 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.546 11.567 -11.115 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.311 11.170 -9.860 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.389 9.677 -9.681 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -12.490 9.119 -9.019 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.313 9.056 -10.244 1.00 0.00 O ATOM 0 H GLU A 115 -10.767 12.771 -12.345 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.753 10.850 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.552 12.654 -11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.075 11.177 -11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.828 11.613 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.320 11.580 -9.908 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.318 8.666 -11.420 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.341 7.401 -12.146 1.00 0.00 C ATOM 1883 C LEU A 116 -12.327 7.486 -13.309 1.00 0.00 C ATOM 1884 O LEU A 116 -12.066 6.973 -14.395 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.712 6.254 -11.196 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.051 4.910 -11.855 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.910 4.422 -12.737 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.373 3.872 -10.791 1.00 0.00 C ATOM 0 H LEU A 116 -11.579 8.589 -10.437 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.349 7.201 -12.550 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.882 6.098 -10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.568 6.568 -10.598 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.926 5.057 -12.489 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.182 3.468 -13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.718 5.154 -13.522 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.012 4.294 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.612 2.922 -11.270 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.511 3.742 -10.137 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.227 4.207 -10.203 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.442 8.166 -13.084 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.424 8.378 -14.139 1.00 0.00 C ATOM 1902 C ALA A 117 -13.873 9.301 -15.227 1.00 0.00 C ATOM 1903 O ALA A 117 -14.336 9.278 -16.367 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.710 8.943 -13.558 1.00 0.00 C ATOM 0 H ALA A 117 -13.689 8.579 -12.185 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.643 7.414 -14.598 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.434 9.096 -14.358 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.118 8.243 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.501 9.895 -13.070 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.874 10.108 -14.873 1.00 0.00 N ATOM 1911 CA LEU A 118 -12.245 11.018 -15.828 1.00 0.00 C ATOM 1912 C LEU A 118 -11.097 10.325 -16.554 1.00 0.00 C ATOM 1913 O LEU A 118 -10.547 10.857 -17.518 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.709 12.275 -15.127 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.754 13.157 -14.440 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.109 14.434 -13.916 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.893 13.487 -15.395 1.00 0.00 C ATOM 0 H LEU A 118 -12.483 10.150 -13.932 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.008 11.312 -16.548 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.976 11.967 -14.381 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.180 12.880 -15.863 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.167 12.605 -13.596 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.865 15.051 -13.430 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.331 14.180 -13.196 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.669 14.986 -14.746 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.624 14.115 -14.886 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.499 14.018 -16.261 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.372 12.564 -15.722 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.747 9.137 -16.088 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.593 8.416 -16.605 1.00 0.00 C ATOM 1931 C LEU A 119 -10.007 7.311 -17.567 1.00 0.00 C ATOM 1932 O LEU A 119 -10.568 6.296 -17.157 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.781 7.819 -15.446 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.584 8.649 -14.966 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.950 10.115 -14.826 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.068 8.110 -13.639 1.00 0.00 C ATOM 0 H LEU A 119 -11.249 8.648 -15.347 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.977 9.128 -17.154 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.452 7.663 -14.601 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.418 6.837 -15.751 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.797 8.567 -15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.080 10.676 -14.484 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.275 10.503 -15.791 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.758 10.221 -14.102 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.218 8.708 -13.309 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.860 8.162 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.755 7.073 -13.764 1.00 0.00 H new ATOM 1948 N VAL A 120 -9.761 7.524 -18.850 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.912 6.462 -19.828 1.00 0.00 C ATOM 1950 C VAL A 120 -8.568 5.752 -19.967 1.00 0.00 C ATOM 1951 O VAL A 120 -7.558 6.244 -19.464 1.00 0.00 O ATOM 1952 CB VAL A 120 -10.399 6.994 -21.206 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.264 7.600 -22.025 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -11.093 5.895 -21.989 1.00 0.00 C ATOM 0 H VAL A 120 -9.458 8.418 -19.236 1.00 0.00 H new ATOM 0 HA VAL A 120 -10.678 5.768 -19.482 1.00 0.00 H new ATOM 0 HB VAL A 120 -11.114 7.792 -21.007 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.654 7.957 -22.978 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.825 8.434 -21.477 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.501 6.843 -22.206 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -11.426 6.288 -22.950 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.398 5.072 -22.155 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -11.954 5.535 -21.426 1.00 0.00 H new ATOM 1964 N SER A 121 -8.549 4.597 -20.614 1.00 0.00 N ATOM 1965 CA SER A 121 -7.305 3.869 -20.811 1.00 0.00 C ATOM 1966 C SER A 121 -6.355 4.679 -21.689 1.00 0.00 C ATOM 1967 O SER A 121 -6.795 5.558 -22.432 1.00 0.00 O ATOM 1968 CB SER A 121 -7.589 2.508 -21.451 1.00 0.00 C ATOM 1969 OG SER A 121 -6.406 1.735 -21.572 1.00 0.00 O ATOM 0 H SER A 121 -9.374 4.146 -21.009 1.00 0.00 H new ATOM 0 HA SER A 121 -6.833 3.709 -19.842 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.319 1.967 -20.849 1.00 0.00 H new ATOM 0 HB3 SER A 121 -8.033 2.653 -22.436 1.00 0.00 H new ATOM 0 HG SER A 121 -6.620 0.871 -21.982 1.00 0.00 H new ATOM 1975 N ALA A 122 -5.055 4.382 -21.590 1.00 0.00 N ATOM 1976 CA ALA A 122 -4.043 5.032 -22.419 1.00 0.00 C ATOM 1977 C ALA A 122 -4.496 5.074 -23.871 1.00 0.00 C ATOM 1978 O ALA A 122 -4.334 6.081 -24.562 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.712 4.308 -22.295 1.00 0.00 C ATOM 0 H ALA A 122 -4.681 3.691 -20.939 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.911 6.056 -22.069 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.968 4.804 -22.919 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.384 4.325 -21.256 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.828 3.275 -22.622 1.00 0.00 H new ATOM 1985 N HIS A 123 -5.081 3.977 -24.327 1.00 0.00 N ATOM 1986 CA HIS A 123 -5.733 3.961 -25.616 1.00 0.00 C ATOM 1987 C HIS A 123 -7.170 3.472 -25.490 1.00 0.00 C ATOM 1988 O HIS A 123 -7.435 2.270 -25.454 1.00 0.00 O ATOM 1989 CB HIS A 123 -4.973 3.103 -26.631 1.00 0.00 C ATOM 1990 CG HIS A 123 -5.591 3.130 -28.000 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -5.158 2.344 -29.043 1.00 0.00 N ATOM 1992 CD2 HIS A 123 -6.623 3.865 -28.486 1.00 0.00 C ATOM 1993 CE1 HIS A 123 -5.893 2.593 -30.113 1.00 0.00 C ATOM 1994 NE2 HIS A 123 -6.787 3.511 -29.800 1.00 0.00 N ATOM 0 H HIS A 123 -5.115 3.092 -23.821 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.738 4.987 -25.984 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -3.943 3.454 -26.696 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -4.937 2.074 -26.274 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.206 4.592 -27.940 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.781 2.124 -31.080 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -7.488 3.896 -30.434 1.00 0.00 H new ATOM 2003 N ASP A 124 -8.077 4.422 -25.392 1.00 0.00 N ATOM 2004 CA ASP A 124 -9.495 4.167 -25.597 1.00 0.00 C ATOM 2005 C ASP A 124 -10.140 5.445 -26.096 1.00 0.00 C ATOM 2006 O ASP A 124 -10.634 6.263 -25.316 1.00 0.00 O ATOM 2007 CB ASP A 124 -10.194 3.671 -24.331 1.00 0.00 C ATOM 2008 CG ASP A 124 -11.644 3.304 -24.598 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -12.533 4.154 -24.390 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -11.897 2.166 -25.035 1.00 0.00 O ATOM 0 H ASP A 124 -7.856 5.392 -25.169 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.600 3.369 -26.332 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.665 2.802 -23.939 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -10.149 4.444 -23.564 1.00 0.00 H new ATOM 2015 N ASP A 125 -10.075 5.627 -27.405 1.00 0.00 N ATOM 2016 CA ASP A 125 -10.514 6.851 -28.047 1.00 0.00 C ATOM 2017 C ASP A 125 -10.418 6.690 -29.554 1.00 0.00 C ATOM 2018 O ASP A 125 -9.293 6.769 -30.091 1.00 0.00 O ATOM 2019 CB ASP A 125 -9.663 8.038 -27.590 1.00 0.00 C ATOM 2020 CG ASP A 125 -10.089 9.341 -28.227 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -9.360 9.846 -29.108 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -11.141 9.881 -27.838 1.00 0.00 O ATOM 0 H ASP A 125 -9.715 4.926 -28.053 1.00 0.00 H new ATOM 0 HA ASP A 125 -11.549 7.047 -27.765 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -9.728 8.130 -26.506 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.618 7.845 -27.832 1.00 0.00 H new TER 2027 ASP A 125