USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 673 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 73 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 154:sc=0.000596 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -168:sc= -0.0527 (180deg=-0.258) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= -0.0168 (180deg=-0.22) USER MOD Single : A 15 THR OG1 : rot 114:sc= -1.6! USER MOD Single : A 17 THR OG1 : rot -42:sc=0.000382 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -3.25! USER MOD Single : A 33 ASN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 0.709 (180deg=0.419) USER MOD Single : A 39 GLN : amide:sc= -1.44 K(o=-1.4,f=-3!) USER MOD Single : A 41 LYS NZ :NH3+ -110:sc= -0.322 (180deg=-2.48!) USER MOD Single : A 48 GLN : amide:sc= -0.636 K(o=-0.64,f=-2.6!) USER MOD Single : A 49 GLN : amide:sc= -4.78! C(o=-4.8!,f=-7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= -0.588 X(o=-0.59,f=-0.12) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 97 HIS : no HD1:sc=-0.00856 X(o=-0.0086,f=-0.021) USER MOD Single : A 100 SER OG : rot -57:sc= 0.0054 USER MOD Single : A 103 GLN : amide:sc=-0.00928 K(o=-0.0093,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.356 21.634 -4.430 1.00 12.33 N ATOM 2 CA GLY A 1 -15.249 21.375 -3.529 1.00 22.02 C ATOM 3 C GLY A 1 -14.966 22.545 -2.608 1.00 73.23 C ATOM 4 O GLY A 1 -15.005 23.701 -3.030 1.00 55.24 O ATOM 0 H1 GLY A 1 -16.248 21.057 -5.288 1.00 12.33 H new ATOM 0 H2 GLY A 1 -17.251 21.390 -3.960 1.00 12.33 H new ATOM 0 H3 GLY A 1 -16.364 22.641 -4.689 1.00 12.33 H new ATOM 0 HA2 GLY A 1 -15.470 20.491 -2.931 1.00 22.02 H new ATOM 0 HA3 GLY A 1 -14.355 21.150 -4.111 1.00 22.02 H new ATOM 8 N SER A 2 -14.682 22.245 -1.343 1.00 12.24 N ATOM 9 CA SER A 2 -14.398 23.281 -0.358 1.00 73.35 C ATOM 10 C SER A 2 -12.940 23.722 -0.440 1.00 61.22 C ATOM 11 O SER A 2 -12.638 24.916 -0.416 1.00 2.02 O ATOM 12 CB SER A 2 -14.711 22.773 1.051 1.00 50.21 C ATOM 13 OG SER A 2 -15.327 23.783 1.832 1.00 12.24 O ATOM 0 H SER A 2 -14.643 21.293 -0.978 1.00 12.24 H new ATOM 0 HA SER A 2 -15.032 24.140 -0.576 1.00 73.35 H new ATOM 0 HB2 SER A 2 -15.367 21.905 0.991 1.00 50.21 H new ATOM 0 HB3 SER A 2 -13.791 22.445 1.535 1.00 50.21 H new ATOM 0 HG SER A 2 -15.519 23.433 2.727 1.00 12.24 H new ATOM 18 N LEU A 3 -12.039 22.751 -0.534 1.00 43.54 N ATOM 19 CA LEU A 3 -10.610 23.037 -0.620 1.00 33.54 C ATOM 20 C LEU A 3 -10.117 22.927 -2.059 1.00 15.43 C ATOM 21 O LEU A 3 -10.732 22.252 -2.887 1.00 64.43 O ATOM 22 CB LEU A 3 -9.824 22.078 0.276 1.00 31.33 C ATOM 23 CG LEU A 3 -9.794 20.616 -0.169 1.00 11.22 C ATOM 24 CD1 LEU A 3 -8.487 19.958 0.244 1.00 74.21 C ATOM 25 CD2 LEU A 3 -10.982 19.859 0.409 1.00 43.15 C ATOM 0 H LEU A 3 -12.272 21.758 -0.553 1.00 43.54 H new ATOM 0 HA LEU A 3 -10.448 24.059 -0.278 1.00 33.54 H new ATOM 0 HB2 LEU A 3 -8.797 22.437 0.345 1.00 31.33 H new ATOM 0 HB3 LEU A 3 -10.246 22.123 1.280 1.00 31.33 H new ATOM 0 HG LEU A 3 -9.863 20.585 -1.256 1.00 11.22 H new ATOM 0 HD11 LEU A 3 -8.485 18.918 -0.082 1.00 74.21 H new ATOM 0 HD12 LEU A 3 -7.652 20.485 -0.218 1.00 74.21 H new ATOM 0 HD13 LEU A 3 -8.386 19.999 1.329 1.00 74.21 H new ATOM 0 HD21 LEU A 3 -10.945 18.820 0.082 1.00 43.15 H new ATOM 0 HD22 LEU A 3 -10.944 19.899 1.498 1.00 43.15 H new ATOM 0 HD23 LEU A 3 -11.909 20.316 0.061 1.00 43.15 H new ATOM 36 N VAL A 4 -9.005 23.591 -2.351 1.00 20.41 N ATOM 37 CA VAL A 4 -8.427 23.565 -3.690 1.00 63.41 C ATOM 38 C VAL A 4 -7.511 22.360 -3.869 1.00 61.12 C ATOM 39 O VAL A 4 -6.666 22.060 -3.025 1.00 13.31 O ATOM 40 CB VAL A 4 -7.630 24.851 -3.982 1.00 20.20 C ATOM 41 CG1 VAL A 4 -6.525 25.039 -2.954 1.00 20.44 C ATOM 42 CG2 VAL A 4 -7.058 24.814 -5.391 1.00 52.24 C ATOM 0 H VAL A 4 -8.485 24.154 -1.678 1.00 20.41 H new ATOM 0 HA VAL A 4 -9.257 23.494 -4.393 1.00 63.41 H new ATOM 0 HB VAL A 4 -8.307 25.702 -3.912 1.00 20.20 H new ATOM 0 HG11 VAL A 4 -5.973 25.952 -3.176 1.00 20.44 H new ATOM 0 HG12 VAL A 4 -6.963 25.113 -1.959 1.00 20.44 H new ATOM 0 HG13 VAL A 4 -5.846 24.187 -2.989 1.00 20.44 H new ATOM 0 HG21 VAL A 4 -6.498 25.730 -5.581 1.00 52.24 H new ATOM 0 HG22 VAL A 4 -6.394 23.955 -5.492 1.00 52.24 H new ATOM 0 HG23 VAL A 4 -7.871 24.730 -6.112 1.00 52.24 H new ATOM 52 N PRO A 5 -7.679 21.653 -4.996 1.00 52.15 N ATOM 53 CA PRO A 5 -6.875 20.468 -5.314 1.00 30.42 C ATOM 54 C PRO A 5 -5.426 20.821 -5.635 1.00 13.14 C ATOM 55 O PRO A 5 -5.133 21.385 -6.689 1.00 50.23 O ATOM 56 CB PRO A 5 -7.570 19.890 -6.549 1.00 53.43 C ATOM 57 CG PRO A 5 -8.256 21.053 -7.178 1.00 51.34 C ATOM 58 CD PRO A 5 -8.666 21.954 -6.047 1.00 61.14 C ATOM 0 HA PRO A 5 -6.820 19.775 -4.475 1.00 30.42 H new ATOM 0 HB2 PRO A 5 -6.851 19.438 -7.232 1.00 53.43 H new ATOM 0 HB3 PRO A 5 -8.282 19.112 -6.274 1.00 53.43 H new ATOM 0 HG2 PRO A 5 -7.591 21.572 -7.868 1.00 51.34 H new ATOM 0 HG3 PRO A 5 -9.123 20.730 -7.753 1.00 51.34 H new ATOM 0 HD2 PRO A 5 -8.635 23.004 -6.338 1.00 61.14 H new ATOM 0 HD3 PRO A 5 -9.683 21.745 -5.715 1.00 61.14 H new ATOM 63 N ARG A 6 -4.523 20.484 -4.719 1.00 51.52 N ATOM 64 CA ARG A 6 -3.105 20.765 -4.905 1.00 73.42 C ATOM 65 C ARG A 6 -2.295 19.473 -4.949 1.00 31.15 C ATOM 66 O ARG A 6 -2.070 18.834 -3.922 1.00 61.20 O ATOM 67 CB ARG A 6 -2.590 21.665 -3.779 1.00 53.41 C ATOM 68 CG ARG A 6 -1.225 22.272 -4.061 1.00 51.11 C ATOM 69 CD ARG A 6 -1.344 23.567 -4.848 1.00 3.41 C ATOM 70 NE ARG A 6 -1.879 24.655 -4.035 1.00 32.25 N ATOM 71 CZ ARG A 6 -1.985 25.908 -4.461 1.00 0.15 C ATOM 72 NH1 ARG A 6 -1.595 26.230 -5.687 1.00 33.42 N ATOM 73 NH2 ARG A 6 -2.484 26.843 -3.661 1.00 51.41 N ATOM 0 H ARG A 6 -4.749 20.016 -3.841 1.00 51.52 H new ATOM 0 HA ARG A 6 -2.985 21.281 -5.858 1.00 73.42 H new ATOM 0 HB2 ARG A 6 -3.308 22.468 -3.610 1.00 53.41 H new ATOM 0 HB3 ARG A 6 -2.537 21.085 -2.857 1.00 53.41 H new ATOM 0 HG2 ARG A 6 -0.709 22.463 -3.120 1.00 51.11 H new ATOM 0 HG3 ARG A 6 -0.617 21.560 -4.619 1.00 51.11 H new ATOM 0 HD2 ARG A 6 -0.363 23.849 -5.231 1.00 3.41 H new ATOM 0 HD3 ARG A 6 -1.990 23.408 -5.711 1.00 3.41 H new ATOM 0 HE ARG A 6 -2.189 24.441 -3.087 1.00 32.25 H new ATOM 0 HH11 ARG A 6 -1.213 25.514 -6.305 1.00 33.42 H new ATOM 0 HH12 ARG A 6 -1.677 27.193 -6.012 1.00 33.42 H new ATOM 0 HH21 ARG A 6 -2.786 26.599 -2.718 1.00 51.41 H new ATOM 0 HH22 ARG A 6 -2.565 27.805 -3.990 1.00 51.41 H new ATOM 84 N GLY A 7 -1.861 19.093 -6.146 1.00 11.34 N ATOM 85 CA GLY A 7 -1.083 17.878 -6.302 1.00 23.10 C ATOM 86 C GLY A 7 -0.405 17.793 -7.656 1.00 24.22 C ATOM 87 O GLY A 7 -0.847 18.420 -8.619 1.00 1.41 O ATOM 0 H GLY A 7 -2.034 19.605 -7.011 1.00 11.34 H new ATOM 0 HA2 GLY A 7 -0.328 17.831 -5.517 1.00 23.10 H new ATOM 0 HA3 GLY A 7 -1.734 17.014 -6.170 1.00 23.10 H new ATOM 91 N SER A 8 0.672 17.017 -7.729 1.00 24.35 N ATOM 92 CA SER A 8 1.414 16.857 -8.974 1.00 45.53 C ATOM 93 C SER A 8 1.297 15.429 -9.497 1.00 43.14 C ATOM 94 O SER A 8 1.474 15.176 -10.688 1.00 51.10 O ATOM 95 CB SER A 8 2.887 17.216 -8.763 1.00 61.12 C ATOM 96 OG SER A 8 3.033 18.576 -8.396 1.00 35.20 O ATOM 0 H SER A 8 1.050 16.490 -6.942 1.00 24.35 H new ATOM 0 HA SER A 8 0.984 17.532 -9.714 1.00 45.53 H new ATOM 0 HB2 SER A 8 3.312 16.579 -7.987 1.00 61.12 H new ATOM 0 HB3 SER A 8 3.447 17.021 -9.678 1.00 61.12 H new ATOM 0 HG SER A 8 3.983 18.779 -8.265 1.00 35.20 H new ATOM 101 N MET A 9 0.999 14.498 -8.596 1.00 14.24 N ATOM 102 CA MET A 9 0.856 13.094 -8.966 1.00 31.35 C ATOM 103 C MET A 9 -0.597 12.645 -8.844 1.00 62.34 C ATOM 104 O MET A 9 -1.255 12.910 -7.838 1.00 44.15 O ATOM 105 CB MET A 9 1.748 12.220 -8.084 1.00 74.31 C ATOM 106 CG MET A 9 2.799 13.004 -7.315 1.00 34.21 C ATOM 107 SD MET A 9 4.062 13.711 -8.389 1.00 41.51 S ATOM 108 CE MET A 9 5.087 14.563 -7.192 1.00 22.02 C ATOM 0 H MET A 9 0.852 14.690 -7.605 1.00 14.24 H new ATOM 0 HA MET A 9 1.165 12.984 -10.005 1.00 31.35 H new ATOM 0 HB2 MET A 9 1.123 11.675 -7.376 1.00 74.31 H new ATOM 0 HB3 MET A 9 2.245 11.477 -8.708 1.00 74.31 H new ATOM 0 HG2 MET A 9 2.313 13.804 -6.756 1.00 34.21 H new ATOM 0 HG3 MET A 9 3.274 12.348 -6.585 1.00 34.21 H new ATOM 0 HE1 MET A 9 5.783 15.221 -7.712 1.00 22.02 H new ATOM 0 HE2 MET A 9 4.456 15.154 -6.528 1.00 22.02 H new ATOM 0 HE3 MET A 9 5.647 13.833 -6.607 1.00 22.02 H new ATOM 116 N GLN A 10 -1.089 11.966 -9.874 1.00 15.34 N ATOM 117 CA GLN A 10 -2.465 11.480 -9.882 1.00 24.53 C ATOM 118 C GLN A 10 -2.520 10.005 -10.260 1.00 61.01 C ATOM 119 O GLN A 10 -1.744 9.539 -11.096 1.00 25.20 O ATOM 120 CB GLN A 10 -3.311 12.301 -10.856 1.00 2.24 C ATOM 121 CG GLN A 10 -3.284 13.795 -10.578 1.00 12.03 C ATOM 122 CD GLN A 10 -3.590 14.624 -11.809 1.00 20.44 C ATOM 123 OE1 GLN A 10 -4.636 14.460 -12.438 1.00 33.24 O ATOM 124 NE2 GLN A 10 -2.677 15.523 -12.161 1.00 71.25 N ATOM 0 H GLN A 10 -0.557 11.739 -10.714 1.00 15.34 H new ATOM 0 HA GLN A 10 -2.869 11.592 -8.876 1.00 24.53 H new ATOM 0 HB2 GLN A 10 -2.956 12.123 -11.871 1.00 2.24 H new ATOM 0 HB3 GLN A 10 -4.342 11.951 -10.812 1.00 2.24 H new ATOM 0 HG2 GLN A 10 -4.009 14.029 -9.798 1.00 12.03 H new ATOM 0 HG3 GLN A 10 -2.302 14.071 -10.194 1.00 12.03 H new ATOM 0 HE21 GLN A 10 -1.824 15.626 -11.611 1.00 71.25 H new ATOM 0 HE22 GLN A 10 -2.829 16.110 -12.981 1.00 71.25 H new ATOM 131 N ILE A 11 -3.440 9.274 -9.640 1.00 41.55 N ATOM 132 CA ILE A 11 -3.595 7.851 -9.913 1.00 13.32 C ATOM 133 C ILE A 11 -5.049 7.417 -9.758 1.00 74.33 C ATOM 134 O ILE A 11 -5.900 8.199 -9.331 1.00 43.41 O ATOM 135 CB ILE A 11 -2.715 6.998 -8.980 1.00 21.41 C ATOM 136 CG1 ILE A 11 -2.246 5.732 -9.700 1.00 33.24 C ATOM 137 CG2 ILE A 11 -3.476 6.642 -7.712 1.00 23.31 C ATOM 138 CD1 ILE A 11 -0.958 5.164 -9.148 1.00 53.20 C ATOM 0 H ILE A 11 -4.089 9.644 -8.945 1.00 41.55 H new ATOM 0 HA ILE A 11 -3.278 7.692 -10.944 1.00 13.32 H new ATOM 0 HB ILE A 11 -1.837 7.581 -8.701 1.00 21.41 H new ATOM 0 HG12 ILE A 11 -3.027 4.974 -9.631 1.00 33.24 H new ATOM 0 HG13 ILE A 11 -2.111 5.955 -10.758 1.00 33.24 H new ATOM 0 HG21 ILE A 11 -2.840 6.039 -7.063 1.00 23.31 H new ATOM 0 HG22 ILE A 11 -3.763 7.556 -7.191 1.00 23.31 H new ATOM 0 HG23 ILE A 11 -4.371 6.076 -7.971 1.00 23.31 H new ATOM 0 HD11 ILE A 11 -0.687 4.268 -9.707 1.00 53.20 H new ATOM 0 HD12 ILE A 11 -0.164 5.905 -9.242 1.00 53.20 H new ATOM 0 HD13 ILE A 11 -1.094 4.909 -8.097 1.00 53.20 H new ATOM 149 N PHE A 12 -5.327 6.164 -10.103 1.00 73.23 N ATOM 150 CA PHE A 12 -6.678 5.624 -10.001 1.00 34.35 C ATOM 151 C PHE A 12 -6.797 4.677 -8.811 1.00 14.11 C ATOM 152 O PHE A 12 -6.059 3.697 -8.707 1.00 22.22 O ATOM 153 CB PHE A 12 -7.057 4.893 -11.289 1.00 5.33 C ATOM 154 CG PHE A 12 -8.355 5.360 -11.885 1.00 52.01 C ATOM 155 CD1 PHE A 12 -8.491 6.655 -12.356 1.00 64.42 C ATOM 156 CD2 PHE A 12 -9.440 4.502 -11.971 1.00 30.44 C ATOM 157 CE1 PHE A 12 -9.683 7.088 -12.905 1.00 51.22 C ATOM 158 CE2 PHE A 12 -10.635 4.928 -12.519 1.00 35.13 C ATOM 159 CZ PHE A 12 -10.757 6.223 -12.985 1.00 52.03 C ATOM 0 H PHE A 12 -4.635 5.503 -10.456 1.00 73.23 H new ATOM 0 HA PHE A 12 -7.364 6.457 -9.850 1.00 34.35 H new ATOM 0 HB2 PHE A 12 -6.261 5.028 -12.021 1.00 5.33 H new ATOM 0 HB3 PHE A 12 -7.124 3.824 -11.084 1.00 5.33 H new ATOM 0 HD1 PHE A 12 -7.655 7.335 -12.294 1.00 64.42 H new ATOM 0 HD2 PHE A 12 -9.351 3.490 -11.606 1.00 30.44 H new ATOM 0 HE1 PHE A 12 -9.775 8.100 -13.271 1.00 51.22 H new ATOM 0 HE2 PHE A 12 -11.473 4.249 -12.583 1.00 35.13 H new ATOM 0 HZ PHE A 12 -11.691 6.559 -13.411 1.00 52.03 H new ATOM 168 N VAL A 13 -7.732 4.977 -7.914 1.00 63.21 N ATOM 169 CA VAL A 13 -7.947 4.152 -6.731 1.00 14.14 C ATOM 170 C VAL A 13 -9.429 3.850 -6.536 1.00 11.03 C ATOM 171 O VAL A 13 -10.269 4.749 -6.581 1.00 12.42 O ATOM 172 CB VAL A 13 -7.404 4.836 -5.462 1.00 21.23 C ATOM 173 CG1 VAL A 13 -7.691 3.988 -4.233 1.00 61.30 C ATOM 174 CG2 VAL A 13 -5.913 5.104 -5.600 1.00 72.43 C ATOM 0 H VAL A 13 -8.352 5.784 -7.984 1.00 63.21 H new ATOM 0 HA VAL A 13 -7.405 3.220 -6.892 1.00 14.14 H new ATOM 0 HB VAL A 13 -7.912 5.792 -5.339 1.00 21.23 H new ATOM 0 HG11 VAL A 13 -7.300 4.488 -3.347 1.00 61.30 H new ATOM 0 HG12 VAL A 13 -8.767 3.852 -4.128 1.00 61.30 H new ATOM 0 HG13 VAL A 13 -7.212 3.015 -4.342 1.00 61.30 H new ATOM 0 HG21 VAL A 13 -5.545 5.588 -4.695 1.00 72.43 H new ATOM 0 HG22 VAL A 13 -5.386 4.161 -5.748 1.00 72.43 H new ATOM 0 HG23 VAL A 13 -5.738 5.755 -6.456 1.00 72.43 H new ATOM 184 N LYS A 14 -9.744 2.578 -6.317 1.00 42.31 N ATOM 185 CA LYS A 14 -11.124 2.154 -6.114 1.00 70.41 C ATOM 186 C LYS A 14 -11.290 1.472 -4.759 1.00 22.21 C ATOM 187 O LYS A 14 -10.637 0.467 -4.474 1.00 22.51 O ATOM 188 CB LYS A 14 -11.558 1.203 -7.231 1.00 31.14 C ATOM 189 CG LYS A 14 -11.678 1.875 -8.588 1.00 4.15 C ATOM 190 CD LYS A 14 -12.704 2.996 -8.567 1.00 53.23 C ATOM 191 CE LYS A 14 -14.076 2.488 -8.153 1.00 12.43 C ATOM 192 NZ LYS A 14 -14.554 1.393 -9.043 1.00 70.24 N ATOM 0 H LYS A 14 -9.061 1.822 -6.276 1.00 42.31 H new ATOM 0 HA LYS A 14 -11.756 3.042 -6.135 1.00 70.41 H new ATOM 0 HB2 LYS A 14 -10.840 0.386 -7.301 1.00 31.14 H new ATOM 0 HB3 LYS A 14 -12.519 0.761 -6.968 1.00 31.14 H new ATOM 0 HG2 LYS A 14 -10.708 2.274 -8.884 1.00 4.15 H new ATOM 0 HG3 LYS A 14 -11.961 1.136 -9.337 1.00 4.15 H new ATOM 0 HD2 LYS A 14 -12.380 3.775 -7.877 1.00 53.23 H new ATOM 0 HD3 LYS A 14 -12.767 3.452 -9.555 1.00 53.23 H new ATOM 0 HE2 LYS A 14 -14.035 2.129 -7.125 1.00 12.43 H new ATOM 0 HE3 LYS A 14 -14.790 3.311 -8.175 1.00 12.43 H new ATOM 0 HZ1 LYS A 14 -15.558 1.202 -8.849 1.00 70.24 H new ATOM 0 HZ2 LYS A 14 -14.441 1.679 -10.037 1.00 70.24 H new ATOM 0 HZ3 LYS A 14 -13.997 0.533 -8.865 1.00 70.24 H new ATOM 202 N THR A 15 -12.167 2.024 -3.927 1.00 1.13 N ATOM 203 CA THR A 15 -12.419 1.469 -2.603 1.00 63.11 C ATOM 204 C THR A 15 -13.354 0.268 -2.679 1.00 41.55 C ATOM 205 O THR A 15 -13.737 -0.167 -3.767 1.00 65.42 O ATOM 206 CB THR A 15 -13.030 2.522 -1.660 1.00 55.13 C ATOM 207 OG1 THR A 15 -14.426 2.675 -1.936 1.00 11.43 O ATOM 208 CG2 THR A 15 -12.326 3.861 -1.815 1.00 12.23 C ATOM 0 H THR A 15 -12.715 2.856 -4.147 1.00 1.13 H new ATOM 0 HA THR A 15 -11.455 1.151 -2.205 1.00 63.11 H new ATOM 0 HB THR A 15 -12.899 2.179 -0.634 1.00 55.13 H new ATOM 0 HG1 THR A 15 -14.948 2.362 -1.168 1.00 11.43 H new ATOM 0 HG21 THR A 15 -12.775 4.589 -1.139 1.00 12.23 H new ATOM 0 HG22 THR A 15 -11.269 3.746 -1.575 1.00 12.23 H new ATOM 0 HG23 THR A 15 -12.429 4.209 -2.843 1.00 12.23 H new ATOM 216 N LEU A 16 -13.719 -0.267 -1.519 1.00 21.31 N ATOM 217 CA LEU A 16 -14.611 -1.420 -1.454 1.00 23.22 C ATOM 218 C LEU A 16 -16.052 -1.009 -1.737 1.00 11.31 C ATOM 219 O LEU A 16 -16.826 -1.776 -2.311 1.00 1.14 O ATOM 220 CB LEU A 16 -14.518 -2.084 -0.079 1.00 4.14 C ATOM 221 CG LEU A 16 -13.107 -2.372 0.434 1.00 0.11 C ATOM 222 CD1 LEU A 16 -13.013 -2.094 1.926 1.00 4.25 C ATOM 223 CD2 LEU A 16 -12.713 -3.810 0.132 1.00 12.32 C ATOM 0 H LEU A 16 -13.411 0.079 -0.610 1.00 21.31 H new ATOM 0 HA LEU A 16 -14.300 -2.134 -2.217 1.00 23.22 H new ATOM 0 HB2 LEU A 16 -15.023 -1.445 0.646 1.00 4.14 H new ATOM 0 HB3 LEU A 16 -15.069 -3.024 -0.114 1.00 4.14 H new ATOM 0 HG LEU A 16 -12.412 -1.710 -0.082 1.00 0.11 H new ATOM 0 HD11 LEU A 16 -12.001 -2.305 2.272 1.00 4.25 H new ATOM 0 HD12 LEU A 16 -13.251 -1.048 2.117 1.00 4.25 H new ATOM 0 HD13 LEU A 16 -13.719 -2.730 2.460 1.00 4.25 H new ATOM 0 HD21 LEU A 16 -11.706 -3.997 0.504 1.00 12.32 H new ATOM 0 HD22 LEU A 16 -13.412 -4.489 0.620 1.00 12.32 H new ATOM 0 HD23 LEU A 16 -12.738 -3.976 -0.945 1.00 12.32 H new ATOM 234 N THR A 17 -16.407 0.207 -1.332 1.00 41.12 N ATOM 235 CA THR A 17 -17.754 0.720 -1.542 1.00 12.25 C ATOM 236 C THR A 17 -17.909 1.300 -2.943 1.00 24.14 C ATOM 237 O THR A 17 -19.024 1.488 -3.429 1.00 70.44 O ATOM 238 CB THR A 17 -18.111 1.803 -0.507 1.00 14.25 C ATOM 239 OG1 THR A 17 -19.534 1.901 -0.370 1.00 63.13 O ATOM 240 CG2 THR A 17 -17.543 3.153 -0.920 1.00 72.24 C ATOM 0 H THR A 17 -15.779 0.855 -0.856 1.00 41.12 H new ATOM 0 HA THR A 17 -18.435 -0.123 -1.423 1.00 12.25 H new ATOM 0 HB THR A 17 -17.673 1.518 0.450 1.00 14.25 H new ATOM 0 HG1 THR A 17 -19.952 1.848 -1.255 1.00 63.13 H new ATOM 0 HG21 THR A 17 -17.808 3.903 -0.174 1.00 72.24 H new ATOM 0 HG22 THR A 17 -16.458 3.083 -0.995 1.00 72.24 H new ATOM 0 HG23 THR A 17 -17.956 3.441 -1.887 1.00 72.24 H new ATOM 248 N GLY A 18 -16.782 1.583 -3.589 1.00 4.44 N ATOM 249 CA GLY A 18 -16.814 2.140 -4.930 1.00 61.44 C ATOM 250 C GLY A 18 -16.375 3.590 -4.965 1.00 2.40 C ATOM 251 O GLY A 18 -16.587 4.287 -5.959 1.00 64.12 O ATOM 0 H GLY A 18 -15.847 1.437 -3.208 1.00 4.44 H new ATOM 0 HA2 GLY A 18 -16.167 1.552 -5.580 1.00 61.44 H new ATOM 0 HA3 GLY A 18 -17.825 2.060 -5.330 1.00 61.44 H new ATOM 255 N LYS A 19 -15.762 4.048 -3.880 1.00 22.30 N ATOM 256 CA LYS A 19 -15.292 5.426 -3.789 1.00 1.13 C ATOM 257 C LYS A 19 -13.999 5.612 -4.579 1.00 33.43 C ATOM 258 O LYS A 19 -13.213 4.677 -4.732 1.00 23.45 O ATOM 259 CB LYS A 19 -15.069 5.816 -2.327 1.00 34.30 C ATOM 260 CG LYS A 19 -16.058 6.848 -1.814 1.00 13.43 C ATOM 261 CD LYS A 19 -17.476 6.302 -1.800 1.00 11.23 C ATOM 262 CE LYS A 19 -18.492 7.379 -2.152 1.00 12.10 C ATOM 263 NZ LYS A 19 -19.662 6.820 -2.884 1.00 42.01 N ATOM 0 H LYS A 19 -15.578 3.485 -3.050 1.00 22.30 H new ATOM 0 HA LYS A 19 -16.057 6.074 -4.218 1.00 1.13 H new ATOM 0 HB2 LYS A 19 -15.136 4.922 -1.707 1.00 34.30 H new ATOM 0 HB3 LYS A 19 -14.058 6.207 -2.214 1.00 34.30 H new ATOM 0 HG2 LYS A 19 -15.775 7.155 -0.807 1.00 13.43 H new ATOM 0 HG3 LYS A 19 -16.016 7.738 -2.442 1.00 13.43 H new ATOM 0 HD2 LYS A 19 -17.557 5.478 -2.509 1.00 11.23 H new ATOM 0 HD3 LYS A 19 -17.701 5.896 -0.814 1.00 11.23 H new ATOM 0 HE2 LYS A 19 -18.834 7.868 -1.240 1.00 12.10 H new ATOM 0 HE3 LYS A 19 -18.013 8.144 -2.763 1.00 12.10 H new ATOM 0 HZ1 LYS A 19 -20.331 7.585 -3.106 1.00 42.01 H new ATOM 0 HZ2 LYS A 19 -19.339 6.376 -3.767 1.00 42.01 H new ATOM 0 HZ3 LYS A 19 -20.135 6.108 -2.291 1.00 42.01 H new ATOM 273 N THR A 20 -13.785 6.826 -5.077 1.00 33.11 N ATOM 274 CA THR A 20 -12.590 7.135 -5.850 1.00 62.40 C ATOM 275 C THR A 20 -11.757 8.213 -5.166 1.00 62.42 C ATOM 276 O THR A 20 -12.268 9.278 -4.817 1.00 43.41 O ATOM 277 CB THR A 20 -12.945 7.604 -7.273 1.00 50.43 C ATOM 278 OG1 THR A 20 -14.280 8.121 -7.299 1.00 1.24 O ATOM 279 CG2 THR A 20 -12.821 6.458 -8.266 1.00 45.44 C ATOM 0 H THR A 20 -14.425 7.611 -4.958 1.00 33.11 H new ATOM 0 HA THR A 20 -12.009 6.215 -5.914 1.00 62.40 H new ATOM 0 HB THR A 20 -12.246 8.390 -7.559 1.00 50.43 H new ATOM 0 HG1 THR A 20 -14.498 8.419 -8.207 1.00 1.24 H new ATOM 0 HG21 THR A 20 -13.077 6.813 -9.265 1.00 45.44 H new ATOM 0 HG22 THR A 20 -11.797 6.085 -8.265 1.00 45.44 H new ATOM 0 HG23 THR A 20 -13.501 5.655 -7.981 1.00 45.44 H new ATOM 287 N ILE A 21 -10.471 7.931 -4.978 1.00 53.23 N ATOM 288 CA ILE A 21 -9.568 8.879 -4.337 1.00 50.13 C ATOM 289 C ILE A 21 -8.274 9.026 -5.130 1.00 72.33 C ATOM 290 O ILE A 21 -7.693 8.038 -5.581 1.00 62.32 O ATOM 291 CB ILE A 21 -9.229 8.449 -2.898 1.00 51.45 C ATOM 292 CG1 ILE A 21 -9.002 6.937 -2.835 1.00 50.35 C ATOM 293 CG2 ILE A 21 -10.342 8.862 -1.945 1.00 24.11 C ATOM 294 CD1 ILE A 21 -10.266 6.145 -2.584 1.00 63.45 C ATOM 0 H ILE A 21 -10.032 7.055 -5.260 1.00 53.23 H new ATOM 0 HA ILE A 21 -10.085 9.838 -4.308 1.00 50.13 H new ATOM 0 HB ILE A 21 -8.310 8.950 -2.592 1.00 51.45 H new ATOM 0 HG12 ILE A 21 -8.556 6.606 -3.773 1.00 50.35 H new ATOM 0 HG13 ILE A 21 -8.283 6.718 -2.045 1.00 50.35 H new ATOM 0 HG21 ILE A 21 -10.088 8.551 -0.932 1.00 24.11 H new ATOM 0 HG22 ILE A 21 -10.462 9.945 -1.973 1.00 24.11 H new ATOM 0 HG23 ILE A 21 -11.275 8.386 -2.247 1.00 24.11 H new ATOM 0 HD11 ILE A 21 -10.029 5.082 -2.552 1.00 63.45 H new ATOM 0 HD12 ILE A 21 -10.702 6.448 -1.632 1.00 63.45 H new ATOM 0 HD13 ILE A 21 -10.979 6.334 -3.387 1.00 63.45 H new ATOM 305 N THR A 22 -7.825 10.266 -5.295 1.00 22.31 N ATOM 306 CA THR A 22 -6.599 10.544 -6.033 1.00 72.25 C ATOM 307 C THR A 22 -5.370 10.311 -5.162 1.00 43.52 C ATOM 308 O THR A 22 -5.203 10.947 -4.121 1.00 13.14 O ATOM 309 CB THR A 22 -6.575 11.991 -6.559 1.00 72.42 C ATOM 310 OG1 THR A 22 -7.910 12.503 -6.647 1.00 44.05 O ATOM 311 CG2 THR A 22 -5.909 12.060 -7.924 1.00 42.30 C ATOM 0 H THR A 22 -8.292 11.095 -4.927 1.00 22.31 H new ATOM 0 HA THR A 22 -6.577 9.858 -6.880 1.00 72.25 H new ATOM 0 HB THR A 22 -5.999 12.598 -5.861 1.00 72.42 H new ATOM 0 HG1 THR A 22 -7.886 13.424 -6.981 1.00 44.05 H new ATOM 0 HG21 THR A 22 -5.904 13.092 -8.275 1.00 42.30 H new ATOM 0 HG22 THR A 22 -4.884 11.698 -7.847 1.00 42.30 H new ATOM 0 HG23 THR A 22 -6.461 11.440 -8.630 1.00 42.30 H new ATOM 319 N LEU A 23 -4.510 9.395 -5.595 1.00 41.03 N ATOM 320 CA LEU A 23 -3.293 9.079 -4.854 1.00 40.53 C ATOM 321 C LEU A 23 -2.052 9.445 -5.663 1.00 14.05 C ATOM 322 O LEU A 23 -2.110 9.559 -6.887 1.00 51.34 O ATOM 323 CB LEU A 23 -3.262 7.591 -4.498 1.00 14.10 C ATOM 324 CG LEU A 23 -3.431 7.252 -3.017 1.00 52.23 C ATOM 325 CD1 LEU A 23 -4.665 6.390 -2.804 1.00 71.14 C ATOM 326 CD2 LEU A 23 -2.189 6.550 -2.485 1.00 30.13 C ATOM 0 H LEU A 23 -4.632 8.859 -6.454 1.00 41.03 H new ATOM 0 HA LEU A 23 -3.293 9.667 -3.936 1.00 40.53 H new ATOM 0 HB2 LEU A 23 -4.050 7.087 -5.058 1.00 14.10 H new ATOM 0 HB3 LEU A 23 -2.314 7.176 -4.839 1.00 14.10 H new ATOM 0 HG LEU A 23 -3.563 8.182 -2.464 1.00 52.23 H new ATOM 0 HD11 LEU A 23 -4.769 6.159 -1.744 1.00 71.14 H new ATOM 0 HD12 LEU A 23 -5.549 6.929 -3.146 1.00 71.14 H new ATOM 0 HD13 LEU A 23 -4.564 5.463 -3.369 1.00 71.14 H new ATOM 0 HD21 LEU A 23 -2.327 6.316 -1.429 1.00 30.13 H new ATOM 0 HD22 LEU A 23 -2.025 5.628 -3.042 1.00 30.13 H new ATOM 0 HD23 LEU A 23 -1.324 7.203 -2.602 1.00 30.13 H new ATOM 337 N GLU A 24 -0.933 9.626 -4.970 1.00 1.02 N ATOM 338 CA GLU A 24 0.321 9.978 -5.624 1.00 23.35 C ATOM 339 C GLU A 24 1.237 8.762 -5.738 1.00 34.42 C ATOM 340 O GLU A 24 1.162 7.839 -4.928 1.00 42.44 O ATOM 341 CB GLU A 24 1.030 11.093 -4.853 1.00 63.33 C ATOM 342 CG GLU A 24 1.355 10.726 -3.414 1.00 41.02 C ATOM 343 CD GLU A 24 1.986 11.872 -2.647 1.00 10.21 C ATOM 344 OE1 GLU A 24 2.373 12.872 -3.289 1.00 34.30 O ATOM 345 OE2 GLU A 24 2.094 11.769 -1.408 1.00 32.33 O ATOM 0 H GLU A 24 -0.869 9.535 -3.956 1.00 1.02 H new ATOM 0 HA GLU A 24 0.089 10.332 -6.629 1.00 23.35 H new ATOM 0 HB2 GLU A 24 1.954 11.351 -5.371 1.00 63.33 H new ATOM 0 HB3 GLU A 24 0.402 11.984 -4.859 1.00 63.33 H new ATOM 0 HG2 GLU A 24 0.442 10.414 -2.907 1.00 41.02 H new ATOM 0 HG3 GLU A 24 2.032 9.872 -3.405 1.00 41.02 H new ATOM 350 N VAL A 25 2.099 8.771 -6.749 1.00 54.40 N ATOM 351 CA VAL A 25 3.029 7.670 -6.970 1.00 74.02 C ATOM 352 C VAL A 25 4.357 8.174 -7.523 1.00 2.33 C ATOM 353 O VAL A 25 4.400 9.165 -8.252 1.00 14.12 O ATOM 354 CB VAL A 25 2.444 6.626 -7.940 1.00 23.21 C ATOM 355 CG1 VAL A 25 1.517 5.672 -7.203 1.00 31.53 C ATOM 356 CG2 VAL A 25 1.715 7.314 -9.085 1.00 71.24 C ATOM 0 H VAL A 25 2.173 9.528 -7.428 1.00 54.40 H new ATOM 0 HA VAL A 25 3.198 7.200 -6.001 1.00 74.02 H new ATOM 0 HB VAL A 25 3.265 6.044 -8.359 1.00 23.21 H new ATOM 0 HG11 VAL A 25 1.114 4.942 -7.905 1.00 31.53 H new ATOM 0 HG12 VAL A 25 2.074 5.155 -6.421 1.00 31.53 H new ATOM 0 HG13 VAL A 25 0.698 6.234 -6.754 1.00 31.53 H new ATOM 0 HG21 VAL A 25 1.308 6.562 -9.761 1.00 71.24 H new ATOM 0 HG22 VAL A 25 0.903 7.922 -8.686 1.00 71.24 H new ATOM 0 HG23 VAL A 25 2.412 7.952 -9.629 1.00 71.24 H new ATOM 366 N GLU A 26 5.438 7.485 -7.173 1.00 25.45 N ATOM 367 CA GLU A 26 6.768 7.865 -7.635 1.00 63.05 C ATOM 368 C GLU A 26 7.798 6.802 -7.264 1.00 75.20 C ATOM 369 O GLU A 26 7.600 6.004 -6.346 1.00 13.23 O ATOM 370 CB GLU A 26 7.174 9.214 -7.038 1.00 12.12 C ATOM 371 CG GLU A 26 7.194 10.347 -8.051 1.00 13.35 C ATOM 372 CD GLU A 26 8.231 11.403 -7.726 1.00 34.52 C ATOM 373 OE1 GLU A 26 8.643 11.489 -6.550 1.00 54.54 O ATOM 374 OE2 GLU A 26 8.630 12.145 -8.647 1.00 30.54 O ATOM 0 H GLU A 26 5.419 6.661 -6.572 1.00 25.45 H new ATOM 0 HA GLU A 26 6.736 7.951 -8.721 1.00 63.05 H new ATOM 0 HB2 GLU A 26 6.483 9.469 -6.234 1.00 12.12 H new ATOM 0 HB3 GLU A 26 8.163 9.121 -6.590 1.00 12.12 H new ATOM 0 HG2 GLU A 26 7.394 9.940 -9.042 1.00 13.35 H new ATOM 0 HG3 GLU A 26 6.209 10.811 -8.090 1.00 13.35 H new ATOM 379 N PRO A 27 8.924 6.789 -7.992 1.00 55.44 N ATOM 380 CA PRO A 27 10.006 5.828 -7.757 1.00 4.11 C ATOM 381 C PRO A 27 10.742 6.092 -6.447 1.00 13.33 C ATOM 382 O PRO A 27 11.291 5.174 -5.838 1.00 0.32 O ATOM 383 CB PRO A 27 10.941 6.051 -8.949 1.00 42.11 C ATOM 384 CG PRO A 27 10.682 7.454 -9.377 1.00 34.32 C ATOM 385 CD PRO A 27 9.227 7.709 -9.100 1.00 33.24 C ATOM 0 HA PRO A 27 9.634 4.807 -7.673 1.00 4.11 H new ATOM 0 HB2 PRO A 27 11.984 5.910 -8.666 1.00 42.11 H new ATOM 0 HB3 PRO A 27 10.731 5.347 -9.754 1.00 42.11 H new ATOM 0 HG2 PRO A 27 11.312 8.153 -8.827 1.00 34.32 H new ATOM 0 HG3 PRO A 27 10.907 7.587 -10.435 1.00 34.32 H new ATOM 0 HD2 PRO A 27 9.047 8.747 -8.821 1.00 33.24 H new ATOM 0 HD3 PRO A 27 8.609 7.502 -9.974 1.00 33.24 H new ATOM 390 N SER A 28 10.747 7.350 -6.020 1.00 34.22 N ATOM 391 CA SER A 28 11.416 7.734 -4.783 1.00 64.24 C ATOM 392 C SER A 28 10.400 8.035 -3.686 1.00 51.04 C ATOM 393 O SER A 28 10.749 8.117 -2.507 1.00 0.25 O ATOM 394 CB SER A 28 12.306 8.956 -5.019 1.00 13.20 C ATOM 395 OG SER A 28 13.625 8.725 -4.554 1.00 71.01 O ATOM 0 H SER A 28 10.295 8.121 -6.512 1.00 34.22 H new ATOM 0 HA SER A 28 12.036 6.898 -4.459 1.00 64.24 H new ATOM 0 HB2 SER A 28 12.329 9.193 -6.083 1.00 13.20 H new ATOM 0 HB3 SER A 28 11.884 9.821 -4.508 1.00 13.20 H new ATOM 0 HG SER A 28 14.174 9.520 -4.718 1.00 71.01 H new ATOM 400 N ASP A 29 9.143 8.198 -4.081 1.00 73.11 N ATOM 401 CA ASP A 29 8.075 8.488 -3.131 1.00 13.21 C ATOM 402 C ASP A 29 7.381 7.205 -2.685 1.00 12.23 C ATOM 403 O ASP A 29 6.660 6.574 -3.458 1.00 3.04 O ATOM 404 CB ASP A 29 7.056 9.443 -3.755 1.00 31.23 C ATOM 405 CG ASP A 29 6.442 10.381 -2.735 1.00 33.41 C ATOM 406 OD1 ASP A 29 7.181 10.862 -1.850 1.00 41.50 O ATOM 407 OD2 ASP A 29 5.222 10.635 -2.819 1.00 22.13 O ATOM 0 H ASP A 29 8.838 8.134 -5.052 1.00 73.11 H new ATOM 0 HA ASP A 29 8.519 8.962 -2.256 1.00 13.21 H new ATOM 0 HB2 ASP A 29 7.541 10.028 -4.536 1.00 31.23 H new ATOM 0 HB3 ASP A 29 6.266 8.865 -4.234 1.00 31.23 H new ATOM 411 N THR A 30 7.604 6.823 -1.431 1.00 21.44 N ATOM 412 CA THR A 30 7.002 5.614 -0.882 1.00 23.42 C ATOM 413 C THR A 30 5.631 5.907 -0.281 1.00 43.23 C ATOM 414 O THR A 30 5.223 7.064 -0.178 1.00 53.03 O ATOM 415 CB THR A 30 7.899 4.982 0.199 1.00 20.53 C ATOM 416 OG1 THR A 30 9.250 5.432 0.040 1.00 12.12 O ATOM 417 CG2 THR A 30 7.853 3.463 0.120 1.00 33.54 C ATOM 0 H THR A 30 8.197 7.333 -0.777 1.00 21.44 H new ATOM 0 HA THR A 30 6.891 4.912 -1.708 1.00 23.42 H new ATOM 0 HB THR A 30 7.526 5.291 1.175 1.00 20.53 H new ATOM 0 HG1 THR A 30 9.813 5.027 0.732 1.00 12.12 H new ATOM 0 HG21 THR A 30 8.494 3.039 0.893 1.00 33.54 H new ATOM 0 HG22 THR A 30 6.829 3.122 0.270 1.00 33.54 H new ATOM 0 HG23 THR A 30 8.203 3.139 -0.860 1.00 33.54 H new ATOM 425 N ILE A 31 4.927 4.851 0.112 1.00 23.10 N ATOM 426 CA ILE A 31 3.603 4.995 0.704 1.00 32.51 C ATOM 427 C ILE A 31 3.629 5.965 1.880 1.00 14.11 C ATOM 428 O ILE A 31 2.626 6.609 2.189 1.00 43.00 O ATOM 429 CB ILE A 31 3.049 3.640 1.183 1.00 5.14 C ATOM 430 CG1 ILE A 31 2.500 2.842 -0.002 1.00 63.13 C ATOM 431 CG2 ILE A 31 1.969 3.850 2.233 1.00 34.33 C ATOM 432 CD1 ILE A 31 3.574 2.342 -0.943 1.00 14.44 C ATOM 0 H ILE A 31 5.251 3.887 0.031 1.00 23.10 H new ATOM 0 HA ILE A 31 2.951 5.390 -0.075 1.00 32.51 H new ATOM 0 HB ILE A 31 3.861 3.071 1.635 1.00 5.14 H new ATOM 0 HG12 ILE A 31 1.933 1.991 0.375 1.00 63.13 H new ATOM 0 HG13 ILE A 31 1.803 3.468 -0.559 1.00 63.13 H new ATOM 0 HG21 ILE A 31 1.588 2.883 2.561 1.00 34.33 H new ATOM 0 HG22 ILE A 31 2.389 4.383 3.086 1.00 34.33 H new ATOM 0 HG23 ILE A 31 1.155 4.435 1.805 1.00 34.33 H new ATOM 0 HD11 ILE A 31 3.113 1.785 -1.759 1.00 14.44 H new ATOM 0 HD12 ILE A 31 4.126 3.190 -1.349 1.00 14.44 H new ATOM 0 HD13 ILE A 31 4.258 1.690 -0.400 1.00 14.44 H new ATOM 443 N GLU A 32 4.783 6.065 2.532 1.00 32.12 N ATOM 444 CA GLU A 32 4.940 6.958 3.675 1.00 12.35 C ATOM 445 C GLU A 32 4.441 8.361 3.341 1.00 1.23 C ATOM 446 O GLU A 32 3.667 8.952 4.093 1.00 60.15 O ATOM 447 CB GLU A 32 6.406 7.016 4.108 1.00 54.15 C ATOM 448 CG GLU A 32 6.616 7.684 5.456 1.00 73.12 C ATOM 449 CD GLU A 32 8.057 8.097 5.684 1.00 33.23 C ATOM 450 OE1 GLU A 32 8.457 9.161 5.166 1.00 32.44 O ATOM 451 OE2 GLU A 32 8.784 7.359 6.380 1.00 50.23 O ATOM 0 H GLU A 32 5.623 5.539 2.289 1.00 32.12 H new ATOM 0 HA GLU A 32 4.342 6.564 4.496 1.00 12.35 H new ATOM 0 HB2 GLU A 32 6.805 6.002 4.148 1.00 54.15 H new ATOM 0 HB3 GLU A 32 6.978 7.554 3.352 1.00 54.15 H new ATOM 0 HG2 GLU A 32 5.975 8.563 5.526 1.00 73.12 H new ATOM 0 HG3 GLU A 32 6.308 7.001 6.248 1.00 73.12 H new ATOM 456 N ASN A 33 4.890 8.888 2.206 1.00 31.51 N ATOM 457 CA ASN A 33 4.491 10.222 1.773 1.00 41.02 C ATOM 458 C ASN A 33 3.086 10.204 1.179 1.00 1.12 C ATOM 459 O ASN A 33 2.359 11.196 1.244 1.00 43.31 O ATOM 460 CB ASN A 33 5.485 10.765 0.744 1.00 31.14 C ATOM 461 CG ASN A 33 6.848 11.046 1.348 1.00 14.35 C ATOM 462 OD1 ASN A 33 7.356 10.263 2.150 1.00 34.03 O ATOM 463 ND2 ASN A 33 7.445 12.167 0.962 1.00 61.32 N ATOM 0 H ASN A 33 5.530 8.412 1.570 1.00 31.51 H new ATOM 0 HA ASN A 33 4.489 10.875 2.646 1.00 41.02 H new ATOM 0 HB2 ASN A 33 5.592 10.046 -0.068 1.00 31.14 H new ATOM 0 HB3 ASN A 33 5.088 11.682 0.308 1.00 31.14 H new ATOM 0 HD21 ASN A 33 8.364 12.409 1.333 1.00 61.32 H new ATOM 0 HD22 ASN A 33 6.985 12.786 0.294 1.00 61.32 H new ATOM 469 N VAL A 34 2.709 9.068 0.600 1.00 71.32 N ATOM 470 CA VAL A 34 1.390 8.918 -0.003 1.00 42.31 C ATOM 471 C VAL A 34 0.288 9.091 1.035 1.00 51.11 C ATOM 472 O VAL A 34 -0.810 9.554 0.721 1.00 40.53 O ATOM 473 CB VAL A 34 1.234 7.542 -0.677 1.00 4.21 C ATOM 474 CG1 VAL A 34 0.289 6.660 0.122 1.00 71.14 C ATOM 475 CG2 VAL A 34 0.744 7.703 -2.108 1.00 12.22 C ATOM 0 H VAL A 34 3.299 8.238 0.536 1.00 71.32 H new ATOM 0 HA VAL A 34 1.298 9.697 -0.759 1.00 42.31 H new ATOM 0 HB VAL A 34 2.210 7.057 -0.703 1.00 4.21 H new ATOM 0 HG11 VAL A 34 0.191 5.692 -0.370 1.00 71.14 H new ATOM 0 HG12 VAL A 34 0.686 6.518 1.127 1.00 71.14 H new ATOM 0 HG13 VAL A 34 -0.689 7.136 0.183 1.00 71.14 H new ATOM 0 HG21 VAL A 34 0.639 6.721 -2.569 1.00 12.22 H new ATOM 0 HG22 VAL A 34 -0.222 8.208 -2.107 1.00 12.22 H new ATOM 0 HG23 VAL A 34 1.463 8.295 -2.674 1.00 12.22 H new ATOM 485 N LYS A 35 0.586 8.717 2.275 1.00 14.02 N ATOM 486 CA LYS A 35 -0.379 8.832 3.361 1.00 73.42 C ATOM 487 C LYS A 35 -0.954 10.242 3.432 1.00 34.33 C ATOM 488 O LYS A 35 -2.108 10.434 3.817 1.00 71.01 O ATOM 489 CB LYS A 35 0.280 8.472 4.696 1.00 10.54 C ATOM 490 CG LYS A 35 1.084 7.185 4.649 1.00 71.14 C ATOM 491 CD LYS A 35 1.350 6.643 6.043 1.00 45.02 C ATOM 492 CE LYS A 35 2.755 6.987 6.516 1.00 3.40 C ATOM 493 NZ LYS A 35 2.818 7.148 7.995 1.00 63.22 N ATOM 0 H LYS A 35 1.489 8.332 2.552 1.00 14.02 H new ATOM 0 HA LYS A 35 -1.194 8.136 3.164 1.00 73.42 H new ATOM 0 HB2 LYS A 35 0.935 9.289 5.000 1.00 10.54 H new ATOM 0 HB3 LYS A 35 -0.492 8.381 5.460 1.00 10.54 H new ATOM 0 HG2 LYS A 35 0.545 6.439 4.064 1.00 71.14 H new ATOM 0 HG3 LYS A 35 2.031 7.365 4.141 1.00 71.14 H new ATOM 0 HD2 LYS A 35 0.619 7.054 6.740 1.00 45.02 H new ATOM 0 HD3 LYS A 35 1.219 5.561 6.045 1.00 45.02 H new ATOM 0 HE2 LYS A 35 3.445 6.202 6.206 1.00 3.40 H new ATOM 0 HE3 LYS A 35 3.084 7.908 6.036 1.00 3.40 H new ATOM 0 HZ1 LYS A 35 3.791 7.382 8.278 1.00 63.22 H new ATOM 0 HZ2 LYS A 35 2.179 7.914 8.288 1.00 63.22 H new ATOM 0 HZ3 LYS A 35 2.528 6.261 8.453 1.00 63.22 H new ATOM 503 N ALA A 36 -0.145 11.228 3.055 1.00 54.33 N ATOM 504 CA ALA A 36 -0.576 12.620 3.072 1.00 43.54 C ATOM 505 C ALA A 36 -1.480 12.929 1.884 1.00 2.03 C ATOM 506 O ALA A 36 -2.392 13.749 1.981 1.00 33.21 O ATOM 507 CB ALA A 36 0.631 13.545 3.075 1.00 44.20 C ATOM 0 H ALA A 36 0.813 11.087 2.734 1.00 54.33 H new ATOM 0 HA ALA A 36 -1.150 12.787 3.984 1.00 43.54 H new ATOM 0 HB1 ALA A 36 0.295 14.582 3.088 1.00 44.20 H new ATOM 0 HB2 ALA A 36 1.237 13.349 3.959 1.00 44.20 H new ATOM 0 HB3 ALA A 36 1.227 13.368 2.180 1.00 44.20 H new ATOM 513 N LYS A 37 -1.220 12.268 0.761 1.00 44.31 N ATOM 514 CA LYS A 37 -2.009 12.471 -0.448 1.00 53.43 C ATOM 515 C LYS A 37 -3.345 11.740 -0.354 1.00 52.52 C ATOM 516 O LYS A 37 -4.403 12.333 -0.565 1.00 15.14 O ATOM 517 CB LYS A 37 -1.236 11.986 -1.675 1.00 42.35 C ATOM 518 CG LYS A 37 -1.301 12.943 -2.853 1.00 64.01 C ATOM 519 CD LYS A 37 -0.232 14.018 -2.758 1.00 61.40 C ATOM 520 CE LYS A 37 -0.835 15.376 -2.432 1.00 41.21 C ATOM 521 NZ LYS A 37 -1.498 15.987 -3.617 1.00 10.35 N ATOM 0 H LYS A 37 -0.468 11.586 0.663 1.00 44.31 H new ATOM 0 HA LYS A 37 -2.204 13.539 -0.549 1.00 53.43 H new ATOM 0 HB2 LYS A 37 -0.193 11.833 -1.399 1.00 42.35 H new ATOM 0 HB3 LYS A 37 -1.630 11.017 -1.983 1.00 42.35 H new ATOM 0 HG2 LYS A 37 -1.177 12.387 -3.782 1.00 64.01 H new ATOM 0 HG3 LYS A 37 -2.285 13.410 -2.890 1.00 64.01 H new ATOM 0 HD2 LYS A 37 0.492 13.746 -1.990 1.00 61.40 H new ATOM 0 HD3 LYS A 37 0.311 14.077 -3.701 1.00 61.40 H new ATOM 0 HE2 LYS A 37 -1.560 15.267 -1.626 1.00 41.21 H new ATOM 0 HE3 LYS A 37 -0.053 16.043 -2.069 1.00 41.21 H new ATOM 0 HZ1 LYS A 37 -1.562 17.017 -3.486 1.00 10.35 H new ATOM 0 HZ2 LYS A 37 -0.941 15.781 -4.471 1.00 10.35 H new ATOM 0 HZ3 LYS A 37 -2.454 15.591 -3.723 1.00 10.35 H new ATOM 531 N ILE A 38 -3.288 10.451 -0.036 1.00 0.40 N ATOM 532 CA ILE A 38 -4.493 9.641 0.087 1.00 63.32 C ATOM 533 C ILE A 38 -5.427 10.204 1.153 1.00 62.04 C ATOM 534 O ILE A 38 -6.640 10.267 0.958 1.00 41.01 O ATOM 535 CB ILE A 38 -4.156 8.179 0.436 1.00 21.21 C ATOM 536 CG1 ILE A 38 -5.439 7.375 0.660 1.00 24.45 C ATOM 537 CG2 ILE A 38 -3.267 8.120 1.669 1.00 21.43 C ATOM 538 CD1 ILE A 38 -6.457 7.544 -0.446 1.00 1.14 C ATOM 0 H ILE A 38 -2.420 9.945 0.141 1.00 0.40 H new ATOM 0 HA ILE A 38 -4.992 9.669 -0.882 1.00 63.32 H new ATOM 0 HB ILE A 38 -3.614 7.738 -0.401 1.00 21.21 H new ATOM 0 HG12 ILE A 38 -5.185 6.319 0.751 1.00 24.45 H new ATOM 0 HG13 ILE A 38 -5.888 7.678 1.606 1.00 24.45 H new ATOM 0 HG21 ILE A 38 -3.038 7.080 1.903 1.00 21.43 H new ATOM 0 HG22 ILE A 38 -2.341 8.661 1.476 1.00 21.43 H new ATOM 0 HG23 ILE A 38 -3.785 8.576 2.513 1.00 21.43 H new ATOM 0 HD11 ILE A 38 -7.341 6.946 -0.222 1.00 1.14 H new ATOM 0 HD12 ILE A 38 -6.739 8.594 -0.523 1.00 1.14 H new ATOM 0 HD13 ILE A 38 -6.026 7.214 -1.391 1.00 1.14 H new ATOM 549 N GLN A 39 -4.851 10.613 2.279 1.00 75.10 N ATOM 550 CA GLN A 39 -5.633 11.172 3.376 1.00 42.02 C ATOM 551 C GLN A 39 -6.269 12.498 2.971 1.00 41.23 C ATOM 552 O GLN A 39 -7.323 12.874 3.483 1.00 55.20 O ATOM 553 CB GLN A 39 -4.750 11.373 4.609 1.00 33.22 C ATOM 554 CG GLN A 39 -3.859 12.602 4.526 1.00 34.11 C ATOM 555 CD GLN A 39 -3.065 12.834 5.796 1.00 31.24 C ATOM 556 OE1 GLN A 39 -3.275 13.822 6.501 1.00 64.13 O ATOM 557 NE2 GLN A 39 -2.147 11.923 6.097 1.00 41.11 N ATOM 0 H GLN A 39 -3.847 10.568 2.456 1.00 75.10 H new ATOM 0 HA GLN A 39 -6.428 10.467 3.618 1.00 42.02 H new ATOM 0 HB2 GLN A 39 -5.385 11.454 5.491 1.00 33.22 H new ATOM 0 HB3 GLN A 39 -4.125 10.490 4.746 1.00 33.22 H new ATOM 0 HG2 GLN A 39 -3.172 12.492 3.687 1.00 34.11 H new ATOM 0 HG3 GLN A 39 -4.474 13.479 4.321 1.00 34.11 H new ATOM 0 HE21 GLN A 39 -2.006 11.120 5.485 1.00 41.11 H new ATOM 0 HE22 GLN A 39 -1.583 12.027 6.941 1.00 41.11 H new ATOM 564 N ASP A 40 -5.621 13.202 2.049 1.00 15.54 N ATOM 565 CA ASP A 40 -6.124 14.485 1.574 1.00 22.44 C ATOM 566 C ASP A 40 -7.418 14.305 0.785 1.00 72.34 C ATOM 567 O ASP A 40 -8.233 15.222 0.690 1.00 44.31 O ATOM 568 CB ASP A 40 -5.075 15.178 0.704 1.00 4.14 C ATOM 569 CG ASP A 40 -5.268 16.681 0.650 1.00 62.30 C ATOM 570 OD1 ASP A 40 -6.312 17.162 1.136 1.00 64.54 O ATOM 571 OD2 ASP A 40 -4.374 17.375 0.121 1.00 11.34 O ATOM 0 H ASP A 40 -4.746 12.905 1.616 1.00 15.54 H new ATOM 0 HA ASP A 40 -6.334 15.108 2.443 1.00 22.44 H new ATOM 0 HB2 ASP A 40 -4.081 14.956 1.092 1.00 4.14 H new ATOM 0 HB3 ASP A 40 -5.120 14.772 -0.307 1.00 4.14 H new ATOM 575 N LYS A 41 -7.599 13.116 0.221 1.00 44.52 N ATOM 576 CA LYS A 41 -8.793 12.812 -0.560 1.00 62.12 C ATOM 577 C LYS A 41 -9.970 12.482 0.353 1.00 2.41 C ATOM 578 O LYS A 41 -11.029 13.101 0.261 1.00 75.32 O ATOM 579 CB LYS A 41 -8.524 11.641 -1.508 1.00 23.41 C ATOM 580 CG LYS A 41 -7.187 11.733 -2.223 1.00 63.33 C ATOM 581 CD LYS A 41 -7.116 12.959 -3.119 1.00 72.33 C ATOM 582 CE LYS A 41 -5.772 13.662 -2.997 1.00 52.41 C ATOM 583 NZ LYS A 41 -5.445 14.448 -4.219 1.00 55.24 N ATOM 0 H LYS A 41 -6.934 12.346 0.290 1.00 44.52 H new ATOM 0 HA LYS A 41 -9.047 13.694 -1.147 1.00 62.12 H new ATOM 0 HB2 LYS A 41 -8.561 10.710 -0.942 1.00 23.41 H new ATOM 0 HB3 LYS A 41 -9.321 11.594 -2.250 1.00 23.41 H new ATOM 0 HG2 LYS A 41 -6.383 11.771 -1.488 1.00 63.33 H new ATOM 0 HG3 LYS A 41 -7.031 10.835 -2.821 1.00 63.33 H new ATOM 0 HD2 LYS A 41 -7.280 12.664 -4.155 1.00 72.33 H new ATOM 0 HD3 LYS A 41 -7.915 13.651 -2.854 1.00 72.33 H new ATOM 0 HE2 LYS A 41 -5.786 14.325 -2.132 1.00 52.41 H new ATOM 0 HE3 LYS A 41 -4.990 12.923 -2.820 1.00 52.41 H new ATOM 0 HZ1 LYS A 41 -4.661 13.990 -4.727 1.00 55.24 H new ATOM 0 HZ2 LYS A 41 -6.280 14.491 -4.838 1.00 55.24 H new ATOM 0 HZ3 LYS A 41 -5.165 15.412 -3.947 1.00 55.24 H new ATOM 593 N GLU A 42 -9.774 11.504 1.232 1.00 12.52 N ATOM 594 CA GLU A 42 -10.822 11.092 2.160 1.00 45.23 C ATOM 595 C GLU A 42 -10.326 11.158 3.601 1.00 54.02 C ATOM 596 O GLU A 42 -11.077 11.507 4.512 1.00 63.33 O ATOM 597 CB GLU A 42 -11.293 9.674 1.836 1.00 12.43 C ATOM 598 CG GLU A 42 -12.183 9.594 0.606 1.00 23.41 C ATOM 599 CD GLU A 42 -13.652 9.780 0.937 1.00 42.54 C ATOM 600 OE1 GLU A 42 -13.952 10.294 2.035 1.00 25.21 O ATOM 601 OE2 GLU A 42 -14.500 9.410 0.098 1.00 32.45 O ATOM 0 H GLU A 42 -8.902 10.983 1.321 1.00 12.52 H new ATOM 0 HA GLU A 42 -11.661 11.779 2.050 1.00 45.23 H new ATOM 0 HB2 GLU A 42 -10.422 9.036 1.686 1.00 12.43 H new ATOM 0 HB3 GLU A 42 -11.836 9.276 2.693 1.00 12.43 H new ATOM 0 HG2 GLU A 42 -11.876 10.356 -0.110 1.00 23.41 H new ATOM 0 HG3 GLU A 42 -12.043 8.627 0.123 1.00 23.41 H new ATOM 606 N GLY A 43 -9.055 10.820 3.801 1.00 13.41 N ATOM 607 CA GLY A 43 -8.481 10.846 5.134 1.00 13.21 C ATOM 608 C GLY A 43 -8.454 9.475 5.780 1.00 73.40 C ATOM 609 O GLY A 43 -8.585 9.354 6.998 1.00 32.11 O ATOM 0 H GLY A 43 -8.413 10.529 3.064 1.00 13.41 H new ATOM 0 HA2 GLY A 43 -7.466 11.240 5.082 1.00 13.21 H new ATOM 0 HA3 GLY A 43 -9.056 11.528 5.760 1.00 13.21 H new ATOM 613 N ILE A 44 -8.285 8.440 4.964 1.00 25.11 N ATOM 614 CA ILE A 44 -8.242 7.072 5.464 1.00 22.34 C ATOM 615 C ILE A 44 -6.964 6.817 6.258 1.00 14.22 C ATOM 616 O ILE A 44 -5.883 7.294 5.913 1.00 35.03 O ATOM 617 CB ILE A 44 -8.332 6.049 4.316 1.00 25.23 C ATOM 618 CG1 ILE A 44 -9.772 5.560 4.153 1.00 4.41 C ATOM 619 CG2 ILE A 44 -7.395 4.879 4.574 1.00 23.01 C ATOM 620 CD1 ILE A 44 -10.421 6.012 2.862 1.00 73.15 C ATOM 0 H ILE A 44 -8.176 8.523 3.953 1.00 25.11 H new ATOM 0 HA ILE A 44 -9.105 6.948 6.118 1.00 22.34 H new ATOM 0 HB ILE A 44 -8.026 6.536 3.390 1.00 25.23 H new ATOM 0 HG12 ILE A 44 -9.784 4.471 4.195 1.00 4.41 H new ATOM 0 HG13 ILE A 44 -10.366 5.918 4.994 1.00 4.41 H new ATOM 0 HG21 ILE A 44 -7.470 4.165 3.754 1.00 23.01 H new ATOM 0 HG22 ILE A 44 -6.370 5.243 4.646 1.00 23.01 H new ATOM 0 HG23 ILE A 44 -7.672 4.390 5.508 1.00 23.01 H new ATOM 0 HD11 ILE A 44 -11.440 5.629 2.814 1.00 73.15 H new ATOM 0 HD12 ILE A 44 -10.441 7.101 2.827 1.00 73.15 H new ATOM 0 HD13 ILE A 44 -9.850 5.632 2.015 1.00 73.15 H new ATOM 631 N PRO A 45 -7.090 6.044 7.347 1.00 61.44 N ATOM 632 CA PRO A 45 -5.956 5.706 8.212 1.00 3.43 C ATOM 633 C PRO A 45 -4.972 4.759 7.533 1.00 23.01 C ATOM 634 O PRO A 45 -5.285 3.606 7.237 1.00 32.21 O ATOM 635 CB PRO A 45 -6.615 5.021 9.411 1.00 35.02 C ATOM 636 CG PRO A 45 -7.896 4.475 8.878 1.00 21.14 C ATOM 637 CD PRO A 45 -8.349 5.441 7.818 1.00 65.25 C ATOM 0 HA PRO A 45 -5.369 6.586 8.476 1.00 3.43 H new ATOM 0 HB2 PRO A 45 -5.983 4.228 9.811 1.00 35.02 H new ATOM 0 HB3 PRO A 45 -6.793 5.727 10.222 1.00 35.02 H new ATOM 0 HG2 PRO A 45 -7.752 3.478 8.462 1.00 21.14 H new ATOM 0 HG3 PRO A 45 -8.641 4.386 9.669 1.00 21.14 H new ATOM 0 HD2 PRO A 45 -8.878 4.934 7.011 1.00 65.25 H new ATOM 0 HD3 PRO A 45 -9.028 6.192 8.222 1.00 65.25 H new ATOM 642 N PRO A 46 -3.751 5.255 7.279 1.00 12.51 N ATOM 643 CA PRO A 46 -2.696 4.468 6.633 1.00 33.25 C ATOM 644 C PRO A 46 -2.165 3.359 7.534 1.00 22.44 C ATOM 645 O PRO A 46 -1.554 2.401 7.060 1.00 73.41 O ATOM 646 CB PRO A 46 -1.602 5.503 6.357 1.00 4.21 C ATOM 647 CG PRO A 46 -1.822 6.569 7.373 1.00 55.00 C ATOM 648 CD PRO A 46 -3.308 6.621 7.604 1.00 5.43 C ATOM 0 HA PRO A 46 -3.056 3.959 5.739 1.00 33.25 H new ATOM 0 HB2 PRO A 46 -0.609 5.064 6.453 1.00 4.21 H new ATOM 0 HB3 PRO A 46 -1.679 5.899 5.345 1.00 4.21 H new ATOM 0 HG2 PRO A 46 -1.291 6.342 8.298 1.00 55.00 H new ATOM 0 HG3 PRO A 46 -1.448 7.529 7.018 1.00 55.00 H new ATOM 0 HD2 PRO A 46 -3.546 6.886 8.634 1.00 5.43 H new ATOM 0 HD3 PRO A 46 -3.788 7.362 6.965 1.00 5.43 H new ATOM 653 N ASP A 47 -2.402 3.496 8.835 1.00 4.33 N ATOM 654 CA ASP A 47 -1.948 2.504 9.802 1.00 1.14 C ATOM 655 C ASP A 47 -2.725 1.200 9.648 1.00 52.34 C ATOM 656 O ASP A 47 -2.183 0.116 9.862 1.00 33.21 O ATOM 657 CB ASP A 47 -2.105 3.040 11.226 1.00 15.33 C ATOM 658 CG ASP A 47 -1.649 2.044 12.273 1.00 31.01 C ATOM 659 OD1 ASP A 47 -2.311 0.995 12.422 1.00 2.22 O ATOM 660 OD2 ASP A 47 -0.632 2.313 12.945 1.00 50.23 O ATOM 0 H ASP A 47 -2.905 4.284 9.243 1.00 4.33 H new ATOM 0 HA ASP A 47 -0.894 2.303 9.612 1.00 1.14 H new ATOM 0 HB2 ASP A 47 -1.531 3.961 11.330 1.00 15.33 H new ATOM 0 HB3 ASP A 47 -3.150 3.295 11.402 1.00 15.33 H new ATOM 664 N GLN A 48 -3.996 1.314 9.276 1.00 54.11 N ATOM 665 CA GLN A 48 -4.847 0.144 9.096 1.00 10.41 C ATOM 666 C GLN A 48 -5.102 -0.120 7.615 1.00 71.14 C ATOM 667 O GLN A 48 -5.364 -1.254 7.214 1.00 61.25 O ATOM 668 CB GLN A 48 -6.176 0.335 9.828 1.00 71.35 C ATOM 669 CG GLN A 48 -6.014 0.697 11.296 1.00 21.41 C ATOM 670 CD GLN A 48 -6.310 2.159 11.572 1.00 31.22 C ATOM 671 OE1 GLN A 48 -5.421 2.924 11.947 1.00 23.13 O ATOM 672 NE2 GLN A 48 -7.564 2.554 11.387 1.00 22.24 N ATOM 0 H GLN A 48 -4.459 2.204 9.093 1.00 54.11 H new ATOM 0 HA GLN A 48 -4.330 -0.718 9.517 1.00 10.41 H new ATOM 0 HB2 GLN A 48 -6.747 1.119 9.330 1.00 71.35 H new ATOM 0 HB3 GLN A 48 -6.759 -0.582 9.751 1.00 71.35 H new ATOM 0 HG2 GLN A 48 -6.680 0.076 11.895 1.00 21.41 H new ATOM 0 HG3 GLN A 48 -4.996 0.470 11.612 1.00 21.41 H new ATOM 0 HE21 GLN A 48 -8.269 1.886 11.075 1.00 22.24 H new ATOM 0 HE22 GLN A 48 -7.823 3.526 11.557 1.00 22.24 H new ATOM 679 N GLN A 49 -5.025 0.934 6.809 1.00 30.32 N ATOM 680 CA GLN A 49 -5.249 0.815 5.374 1.00 12.41 C ATOM 681 C GLN A 49 -4.316 -0.224 4.761 1.00 15.51 C ATOM 682 O GLN A 49 -3.124 -0.258 5.065 1.00 50.23 O ATOM 683 CB GLN A 49 -5.043 2.168 4.690 1.00 35.54 C ATOM 684 CG GLN A 49 -4.739 2.059 3.205 1.00 21.11 C ATOM 685 CD GLN A 49 -3.255 2.146 2.906 1.00 64.30 C ATOM 686 OE1 GLN A 49 -2.553 1.135 2.887 1.00 53.02 O ATOM 687 NE2 GLN A 49 -2.769 3.359 2.668 1.00 34.22 N ATOM 0 H GLN A 49 -4.809 1.879 7.126 1.00 30.32 H new ATOM 0 HA GLN A 49 -6.278 0.490 5.219 1.00 12.41 H new ATOM 0 HB2 GLN A 49 -5.939 2.774 4.825 1.00 35.54 H new ATOM 0 HB3 GLN A 49 -4.225 2.694 5.182 1.00 35.54 H new ATOM 0 HG2 GLN A 49 -5.127 1.113 2.827 1.00 21.11 H new ATOM 0 HG3 GLN A 49 -5.261 2.854 2.672 1.00 21.11 H new ATOM 0 HE21 GLN A 49 -3.387 4.170 2.694 1.00 34.22 H new ATOM 0 HE22 GLN A 49 -1.778 3.479 2.459 1.00 34.22 H new ATOM 694 N ARG A 50 -4.868 -1.071 3.897 1.00 22.34 N ATOM 695 CA ARG A 50 -4.085 -2.113 3.243 1.00 23.35 C ATOM 696 C ARG A 50 -3.602 -1.649 1.872 1.00 51.34 C ATOM 697 O ARG A 50 -3.895 -0.533 1.443 1.00 64.12 O ATOM 698 CB ARG A 50 -4.916 -3.389 3.099 1.00 51.42 C ATOM 699 CG ARG A 50 -5.891 -3.614 4.242 1.00 30.50 C ATOM 700 CD ARG A 50 -5.173 -3.688 5.581 1.00 71.43 C ATOM 701 NE ARG A 50 -4.300 -4.855 5.670 1.00 71.54 N ATOM 702 CZ ARG A 50 -4.747 -6.096 5.828 1.00 70.22 C ATOM 703 NH1 ARG A 50 -6.049 -6.329 5.914 1.00 74.05 N ATOM 704 NH2 ARG A 50 -3.889 -7.106 5.901 1.00 54.03 N ATOM 0 H ARG A 50 -5.853 -1.056 3.634 1.00 22.34 H new ATOM 0 HA ARG A 50 -3.214 -2.323 3.864 1.00 23.35 H new ATOM 0 HB2 ARG A 50 -5.471 -3.347 2.162 1.00 51.42 H new ATOM 0 HB3 ARG A 50 -4.244 -4.244 3.033 1.00 51.42 H new ATOM 0 HG2 ARG A 50 -6.621 -2.805 4.264 1.00 30.50 H new ATOM 0 HG3 ARG A 50 -6.444 -4.538 4.073 1.00 30.50 H new ATOM 0 HD2 ARG A 50 -4.584 -2.783 5.727 1.00 71.43 H new ATOM 0 HD3 ARG A 50 -5.908 -3.723 6.385 1.00 71.43 H new ATOM 0 HE ARG A 50 -3.292 -4.710 5.607 1.00 71.54 H new ATOM 0 HH11 ARG A 50 -6.710 -5.554 5.859 1.00 74.05 H new ATOM 0 HH12 ARG A 50 -6.389 -7.283 6.035 1.00 74.05 H new ATOM 0 HH21 ARG A 50 -2.887 -6.929 5.836 1.00 54.03 H new ATOM 0 HH22 ARG A 50 -4.232 -8.059 6.022 1.00 54.03 H new ATOM 715 N LEU A 51 -2.860 -2.515 1.189 1.00 21.11 N ATOM 716 CA LEU A 51 -2.336 -2.195 -0.134 1.00 62.22 C ATOM 717 C LEU A 51 -2.709 -3.276 -1.143 1.00 10.41 C ATOM 718 O LEU A 51 -2.485 -4.464 -0.908 1.00 22.33 O ATOM 719 CB LEU A 51 -0.815 -2.037 -0.077 1.00 0.21 C ATOM 720 CG LEU A 51 -0.284 -0.608 -0.179 1.00 3.24 C ATOM 721 CD1 LEU A 51 1.221 -0.581 0.036 1.00 23.55 C ATOM 722 CD2 LEU A 51 -0.642 -0.001 -1.528 1.00 11.34 C ATOM 0 H LEU A 51 -2.608 -3.443 1.530 1.00 21.11 H new ATOM 0 HA LEU A 51 -2.781 -1.254 -0.457 1.00 62.22 H new ATOM 0 HB2 LEU A 51 -0.460 -2.469 0.859 1.00 0.21 H new ATOM 0 HB3 LEU A 51 -0.378 -2.624 -0.885 1.00 0.21 H new ATOM 0 HG LEU A 51 -0.753 -0.010 0.603 1.00 3.24 H new ATOM 0 HD11 LEU A 51 1.581 0.445 -0.040 1.00 23.55 H new ATOM 0 HD12 LEU A 51 1.454 -0.975 1.025 1.00 23.55 H new ATOM 0 HD13 LEU A 51 1.708 -1.194 -0.723 1.00 23.55 H new ATOM 0 HD21 LEU A 51 -0.256 1.017 -1.583 1.00 11.34 H new ATOM 0 HD22 LEU A 51 -0.201 -0.600 -2.325 1.00 11.34 H new ATOM 0 HD23 LEU A 51 -1.726 0.015 -1.644 1.00 11.34 H new ATOM 733 N ILE A 52 -3.278 -2.856 -2.269 1.00 44.14 N ATOM 734 CA ILE A 52 -3.678 -3.788 -3.316 1.00 41.12 C ATOM 735 C ILE A 52 -3.125 -3.362 -4.671 1.00 3.51 C ATOM 736 O ILE A 52 -3.442 -2.283 -5.173 1.00 43.11 O ATOM 737 CB ILE A 52 -5.211 -3.902 -3.411 1.00 23.04 C ATOM 738 CG1 ILE A 52 -5.758 -4.711 -2.235 1.00 32.40 C ATOM 739 CG2 ILE A 52 -5.613 -4.540 -4.733 1.00 32.44 C ATOM 740 CD1 ILE A 52 -5.700 -3.975 -0.915 1.00 31.44 C ATOM 0 H ILE A 52 -3.472 -1.877 -2.479 1.00 44.14 H new ATOM 0 HA ILE A 52 -3.266 -4.761 -3.048 1.00 41.12 H new ATOM 0 HB ILE A 52 -5.639 -2.900 -3.368 1.00 23.04 H new ATOM 0 HG12 ILE A 52 -6.792 -4.985 -2.443 1.00 32.40 H new ATOM 0 HG13 ILE A 52 -5.193 -5.639 -2.149 1.00 32.40 H new ATOM 0 HG21 ILE A 52 -6.699 -4.614 -4.786 1.00 32.44 H new ATOM 0 HG22 ILE A 52 -5.250 -3.927 -5.558 1.00 32.44 H new ATOM 0 HG23 ILE A 52 -5.178 -5.537 -4.803 1.00 32.44 H new ATOM 0 HD11 ILE A 52 -6.104 -4.610 -0.126 1.00 31.44 H new ATOM 0 HD12 ILE A 52 -4.665 -3.724 -0.684 1.00 31.44 H new ATOM 0 HD13 ILE A 52 -6.289 -3.060 -0.982 1.00 31.44 H new ATOM 751 N PHE A 53 -2.298 -4.219 -5.262 1.00 61.00 N ATOM 752 CA PHE A 53 -1.701 -3.932 -6.562 1.00 60.44 C ATOM 753 C PHE A 53 -2.057 -5.017 -7.575 1.00 70.44 C ATOM 754 O PHE A 53 -1.699 -6.181 -7.404 1.00 74.01 O ATOM 755 CB PHE A 53 -0.181 -3.817 -6.434 1.00 1.53 C ATOM 756 CG PHE A 53 0.546 -4.011 -7.734 1.00 43.20 C ATOM 757 CD1 PHE A 53 0.177 -3.299 -8.863 1.00 22.44 C ATOM 758 CD2 PHE A 53 1.599 -4.906 -7.826 1.00 43.15 C ATOM 759 CE1 PHE A 53 0.843 -3.477 -10.060 1.00 45.52 C ATOM 760 CE2 PHE A 53 2.271 -5.088 -9.021 1.00 51.42 C ATOM 761 CZ PHE A 53 1.892 -4.372 -10.139 1.00 65.31 C ATOM 0 H PHE A 53 -2.026 -5.117 -4.862 1.00 61.00 H new ATOM 0 HA PHE A 53 -2.102 -2.982 -6.917 1.00 60.44 H new ATOM 0 HB2 PHE A 53 0.068 -2.836 -6.030 1.00 1.53 H new ATOM 0 HB3 PHE A 53 0.172 -4.557 -5.715 1.00 1.53 H new ATOM 0 HD1 PHE A 53 -0.641 -2.596 -8.807 1.00 22.44 H new ATOM 0 HD2 PHE A 53 1.899 -5.468 -6.954 1.00 43.15 H new ATOM 0 HE1 PHE A 53 0.544 -2.917 -10.933 1.00 45.52 H new ATOM 0 HE2 PHE A 53 3.091 -5.789 -9.080 1.00 51.42 H new ATOM 0 HZ PHE A 53 2.415 -4.512 -11.074 1.00 65.31 H new ATOM 770 N ALA A 54 -2.765 -4.624 -8.629 1.00 65.34 N ATOM 771 CA ALA A 54 -3.168 -5.561 -9.670 1.00 42.44 C ATOM 772 C ALA A 54 -3.907 -6.755 -9.077 1.00 0.51 C ATOM 773 O ALA A 54 -3.822 -7.870 -9.593 1.00 35.55 O ATOM 774 CB ALA A 54 -1.954 -6.029 -10.459 1.00 31.41 C ATOM 0 H ALA A 54 -3.071 -3.663 -8.784 1.00 65.34 H new ATOM 0 HA ALA A 54 -3.849 -5.043 -10.346 1.00 42.44 H new ATOM 0 HB1 ALA A 54 -2.271 -6.728 -11.233 1.00 31.41 H new ATOM 0 HB2 ALA A 54 -1.468 -5.170 -10.922 1.00 31.41 H new ATOM 0 HB3 ALA A 54 -1.252 -6.524 -9.788 1.00 31.41 H new ATOM 780 N GLY A 55 -4.633 -6.516 -7.989 1.00 51.42 N ATOM 781 CA GLY A 55 -5.376 -7.582 -7.343 1.00 71.01 C ATOM 782 C GLY A 55 -4.587 -8.251 -6.234 1.00 25.01 C ATOM 783 O GLY A 55 -5.163 -8.792 -5.291 1.00 51.41 O ATOM 0 H GLY A 55 -4.720 -5.603 -7.543 1.00 51.42 H new ATOM 0 HA2 GLY A 55 -6.302 -7.178 -6.933 1.00 71.01 H new ATOM 0 HA3 GLY A 55 -5.655 -8.328 -8.087 1.00 71.01 H new ATOM 787 N LYS A 56 -3.264 -8.214 -6.348 1.00 5.11 N ATOM 788 CA LYS A 56 -2.392 -8.820 -5.348 1.00 14.41 C ATOM 789 C LYS A 56 -1.864 -7.769 -4.378 1.00 52.55 C ATOM 790 O LYS A 56 -1.269 -6.775 -4.790 1.00 22.44 O ATOM 791 CB LYS A 56 -1.222 -9.535 -6.028 1.00 53.54 C ATOM 792 CG LYS A 56 -0.529 -10.550 -5.135 1.00 4.41 C ATOM 793 CD LYS A 56 0.363 -11.482 -5.939 1.00 51.34 C ATOM 794 CE LYS A 56 1.299 -12.273 -5.038 1.00 71.02 C ATOM 795 NZ LYS A 56 2.404 -12.910 -5.808 1.00 11.14 N ATOM 0 H LYS A 56 -2.771 -7.771 -7.123 1.00 5.11 H new ATOM 0 HA LYS A 56 -2.977 -9.547 -4.785 1.00 14.41 H new ATOM 0 HB2 LYS A 56 -1.586 -10.039 -6.923 1.00 53.54 H new ATOM 0 HB3 LYS A 56 -0.493 -8.793 -6.354 1.00 53.54 H new ATOM 0 HG2 LYS A 56 0.068 -10.030 -4.386 1.00 4.41 H new ATOM 0 HG3 LYS A 56 -1.276 -11.134 -4.598 1.00 4.41 H new ATOM 0 HD2 LYS A 56 -0.255 -12.170 -6.517 1.00 51.34 H new ATOM 0 HD3 LYS A 56 0.948 -10.902 -6.653 1.00 51.34 H new ATOM 0 HE2 LYS A 56 1.719 -11.611 -4.280 1.00 71.02 H new ATOM 0 HE3 LYS A 56 0.733 -13.042 -4.512 1.00 71.02 H new ATOM 0 HZ1 LYS A 56 3.020 -13.440 -5.158 1.00 11.14 H new ATOM 0 HZ2 LYS A 56 2.005 -13.561 -6.514 1.00 11.14 H new ATOM 0 HZ3 LYS A 56 2.960 -12.175 -6.290 1.00 11.14 H new ATOM 805 N GLN A 57 -2.084 -7.999 -3.087 1.00 2.42 N ATOM 806 CA GLN A 57 -1.629 -7.072 -2.058 1.00 22.25 C ATOM 807 C GLN A 57 -0.119 -7.169 -1.867 1.00 32.33 C ATOM 808 O GLN A 57 0.541 -8.010 -2.478 1.00 41.24 O ATOM 809 CB GLN A 57 -2.342 -7.354 -0.735 1.00 41.10 C ATOM 810 CG GLN A 57 -3.855 -7.436 -0.865 1.00 41.15 C ATOM 811 CD GLN A 57 -4.415 -8.744 -0.343 1.00 55.22 C ATOM 812 OE1 GLN A 57 -4.785 -8.852 0.827 1.00 12.55 O ATOM 813 NE2 GLN A 57 -4.480 -9.748 -1.210 1.00 15.21 N ATOM 0 H GLN A 57 -2.574 -8.819 -2.729 1.00 2.42 H new ATOM 0 HA GLN A 57 -1.871 -6.060 -2.384 1.00 22.25 H new ATOM 0 HB2 GLN A 57 -1.970 -8.292 -0.324 1.00 41.10 H new ATOM 0 HB3 GLN A 57 -2.089 -6.570 -0.021 1.00 41.10 H new ATOM 0 HG2 GLN A 57 -4.308 -6.608 -0.320 1.00 41.15 H new ATOM 0 HG3 GLN A 57 -4.133 -7.318 -1.912 1.00 41.15 H new ATOM 0 HE21 GLN A 57 -4.162 -9.614 -2.170 1.00 15.21 H new ATOM 0 HE22 GLN A 57 -4.848 -10.653 -0.916 1.00 15.21 H new ATOM 820 N LEU A 58 0.421 -6.304 -1.016 1.00 74.21 N ATOM 821 CA LEU A 58 1.854 -6.293 -0.744 1.00 23.42 C ATOM 822 C LEU A 58 2.148 -5.633 0.601 1.00 45.10 C ATOM 823 O LEU A 58 1.236 -5.362 1.381 1.00 25.32 O ATOM 824 CB LEU A 58 2.599 -5.556 -1.858 1.00 45.34 C ATOM 825 CG LEU A 58 2.349 -4.051 -1.953 1.00 1.33 C ATOM 826 CD1 LEU A 58 3.536 -3.351 -2.597 1.00 52.55 C ATOM 827 CD2 LEU A 58 1.074 -3.770 -2.736 1.00 51.12 C ATOM 0 H LEU A 58 -0.111 -5.601 -0.503 1.00 74.21 H new ATOM 0 HA LEU A 58 2.199 -7.326 -0.705 1.00 23.42 H new ATOM 0 HB2 LEU A 58 3.668 -5.718 -1.721 1.00 45.34 H new ATOM 0 HB3 LEU A 58 2.327 -6.010 -2.811 1.00 45.34 H new ATOM 0 HG LEU A 58 2.226 -3.659 -0.943 1.00 1.33 H new ATOM 0 HD11 LEU A 58 3.339 -2.281 -2.656 1.00 52.55 H new ATOM 0 HD12 LEU A 58 4.429 -3.523 -1.997 1.00 52.55 H new ATOM 0 HD13 LEU A 58 3.691 -3.747 -3.601 1.00 52.55 H new ATOM 0 HD21 LEU A 58 0.912 -2.694 -2.793 1.00 51.12 H new ATOM 0 HD22 LEU A 58 1.168 -4.177 -3.743 1.00 51.12 H new ATOM 0 HD23 LEU A 58 0.228 -4.238 -2.233 1.00 51.12 H new ATOM 838 N GLU A 59 3.426 -5.378 0.862 1.00 50.03 N ATOM 839 CA GLU A 59 3.839 -4.750 2.112 1.00 13.05 C ATOM 840 C GLU A 59 4.477 -3.388 1.851 1.00 2.11 C ATOM 841 O GLU A 59 4.417 -2.866 0.738 1.00 32.33 O ATOM 842 CB GLU A 59 4.822 -5.651 2.861 1.00 71.31 C ATOM 843 CG GLU A 59 4.343 -7.085 3.008 1.00 12.23 C ATOM 844 CD GLU A 59 3.018 -7.186 3.740 1.00 4.54 C ATOM 845 OE1 GLU A 59 2.905 -6.615 4.844 1.00 4.02 O ATOM 846 OE2 GLU A 59 2.094 -7.836 3.207 1.00 42.11 O ATOM 0 H GLU A 59 4.193 -5.596 0.226 1.00 50.03 H new ATOM 0 HA GLU A 59 2.951 -4.604 2.727 1.00 13.05 H new ATOM 0 HB2 GLU A 59 5.777 -5.648 2.336 1.00 71.31 H new ATOM 0 HB3 GLU A 59 5.002 -5.234 3.852 1.00 71.31 H new ATOM 0 HG2 GLU A 59 4.243 -7.534 2.020 1.00 12.23 H new ATOM 0 HG3 GLU A 59 5.096 -7.662 3.545 1.00 12.23 H new ATOM 851 N ASP A 60 5.086 -2.819 2.885 1.00 45.35 N ATOM 852 CA ASP A 60 5.737 -1.519 2.769 1.00 53.11 C ATOM 853 C ASP A 60 7.176 -1.585 3.270 1.00 62.14 C ATOM 854 O ASP A 60 7.643 -2.633 3.713 1.00 73.22 O ATOM 855 CB ASP A 60 4.958 -0.464 3.555 1.00 60.44 C ATOM 856 CG ASP A 60 5.073 0.918 2.941 1.00 65.15 C ATOM 857 OD1 ASP A 60 5.718 1.042 1.879 1.00 21.52 O ATOM 858 OD2 ASP A 60 4.519 1.873 3.524 1.00 44.42 O ATOM 0 H ASP A 60 5.143 -3.237 3.813 1.00 45.35 H new ATOM 0 HA ASP A 60 5.751 -1.240 1.716 1.00 53.11 H new ATOM 0 HB2 ASP A 60 3.908 -0.752 3.601 1.00 60.44 H new ATOM 0 HB3 ASP A 60 5.326 -0.434 4.581 1.00 60.44 H new ATOM 862 N GLY A 61 7.876 -0.456 3.195 1.00 53.32 N ATOM 863 CA GLY A 61 9.256 -0.408 3.644 1.00 14.55 C ATOM 864 C GLY A 61 10.144 0.376 2.699 1.00 41.11 C ATOM 865 O GLY A 61 10.485 1.528 2.968 1.00 22.02 O ATOM 0 H GLY A 61 7.512 0.425 2.832 1.00 53.32 H new ATOM 0 HA2 GLY A 61 9.297 0.043 4.635 1.00 14.55 H new ATOM 0 HA3 GLY A 61 9.640 -1.424 3.740 1.00 14.55 H new ATOM 869 N ARG A 62 10.524 -0.251 1.589 1.00 21.23 N ATOM 870 CA ARG A 62 11.382 0.395 0.603 1.00 34.33 C ATOM 871 C ARG A 62 10.552 1.189 -0.402 1.00 43.13 C ATOM 872 O ARG A 62 9.327 1.069 -0.446 1.00 20.42 O ATOM 873 CB ARG A 62 12.228 -0.648 -0.129 1.00 31.00 C ATOM 874 CG ARG A 62 13.695 -0.633 0.271 1.00 34.44 C ATOM 875 CD ARG A 62 13.868 -0.897 1.759 1.00 24.21 C ATOM 876 NE ARG A 62 14.039 0.339 2.518 1.00 22.25 N ATOM 877 CZ ARG A 62 14.503 0.381 3.761 1.00 53.05 C ATOM 878 NH1 ARG A 62 14.842 -0.740 4.383 1.00 50.51 N ATOM 879 NH2 ARG A 62 14.630 1.545 4.386 1.00 54.52 N ATOM 0 H ARG A 62 10.251 -1.205 1.351 1.00 21.23 H new ATOM 0 HA ARG A 62 12.043 1.085 1.128 1.00 34.33 H new ATOM 0 HB2 ARG A 62 11.817 -1.639 0.066 1.00 31.00 H new ATOM 0 HB3 ARG A 62 12.151 -0.477 -1.203 1.00 31.00 H new ATOM 0 HG2 ARG A 62 14.237 -1.388 -0.299 1.00 34.44 H new ATOM 0 HG3 ARG A 62 14.133 0.333 0.018 1.00 34.44 H new ATOM 0 HD2 ARG A 62 12.998 -1.436 2.135 1.00 24.21 H new ATOM 0 HD3 ARG A 62 14.734 -1.541 1.915 1.00 24.21 H new ATOM 0 HE ARG A 62 13.788 1.219 2.068 1.00 22.25 H new ATOM 0 HH11 ARG A 62 14.746 -1.637 3.906 1.00 50.51 H new ATOM 0 HH12 ARG A 62 15.198 -0.706 5.338 1.00 50.51 H new ATOM 0 HH21 ARG A 62 14.371 2.410 3.911 1.00 54.52 H new ATOM 0 HH22 ARG A 62 14.987 1.575 5.341 1.00 54.52 H new ATOM 890 N THR A 63 11.228 2.001 -1.209 1.00 41.42 N ATOM 891 CA THR A 63 10.555 2.816 -2.213 1.00 15.41 C ATOM 892 C THR A 63 10.153 1.978 -3.422 1.00 22.42 C ATOM 893 O THR A 63 10.709 0.906 -3.660 1.00 42.35 O ATOM 894 CB THR A 63 11.448 3.979 -2.683 1.00 12.33 C ATOM 895 OG1 THR A 63 12.742 3.488 -3.049 1.00 73.12 O ATOM 896 CG2 THR A 63 11.589 5.028 -1.590 1.00 14.22 C ATOM 0 H THR A 63 12.242 2.112 -1.187 1.00 41.42 H new ATOM 0 HA THR A 63 9.660 3.222 -1.742 1.00 15.41 H new ATOM 0 HB THR A 63 10.977 4.441 -3.551 1.00 12.33 H new ATOM 0 HG1 THR A 63 13.302 4.234 -3.348 1.00 73.12 H new ATOM 0 HG21 THR A 63 12.224 5.840 -1.945 1.00 14.22 H new ATOM 0 HG22 THR A 63 10.605 5.422 -1.335 1.00 14.22 H new ATOM 0 HG23 THR A 63 12.039 4.575 -0.707 1.00 14.22 H new ATOM 904 N LEU A 64 9.184 2.474 -4.184 1.00 42.04 N ATOM 905 CA LEU A 64 8.708 1.772 -5.370 1.00 54.14 C ATOM 906 C LEU A 64 9.872 1.383 -6.277 1.00 52.14 C ATOM 907 O LEU A 64 9.837 0.345 -6.937 1.00 12.32 O ATOM 908 CB LEU A 64 7.716 2.645 -6.140 1.00 42.14 C ATOM 909 CG LEU A 64 6.574 3.247 -5.320 1.00 42.50 C ATOM 910 CD1 LEU A 64 5.577 3.949 -6.229 1.00 42.13 C ATOM 911 CD2 LEU A 64 5.882 2.170 -4.498 1.00 41.15 C ATOM 0 H LEU A 64 8.713 3.360 -4.001 1.00 42.04 H new ATOM 0 HA LEU A 64 8.205 0.861 -5.045 1.00 54.14 H new ATOM 0 HB2 LEU A 64 8.268 3.459 -6.610 1.00 42.14 H new ATOM 0 HB3 LEU A 64 7.284 2.048 -6.943 1.00 42.14 H new ATOM 0 HG LEU A 64 6.993 3.985 -4.636 1.00 42.50 H new ATOM 0 HD11 LEU A 64 4.771 4.371 -5.628 1.00 42.13 H new ATOM 0 HD12 LEU A 64 6.081 4.748 -6.773 1.00 42.13 H new ATOM 0 HD13 LEU A 64 5.163 3.232 -6.938 1.00 42.13 H new ATOM 0 HD21 LEU A 64 5.072 2.617 -3.921 1.00 41.15 H new ATOM 0 HD22 LEU A 64 5.476 1.409 -5.164 1.00 41.15 H new ATOM 0 HD23 LEU A 64 6.601 1.712 -3.819 1.00 41.15 H new ATOM 922 N SER A 65 10.901 2.223 -6.301 1.00 42.21 N ATOM 923 CA SER A 65 12.076 1.968 -7.128 1.00 71.21 C ATOM 924 C SER A 65 12.902 0.819 -6.558 1.00 54.22 C ATOM 925 O SER A 65 13.444 0.002 -7.302 1.00 24.43 O ATOM 926 CB SER A 65 12.936 3.229 -7.231 1.00 61.22 C ATOM 927 OG SER A 65 14.214 2.931 -7.768 1.00 71.41 O ATOM 0 H SER A 65 10.946 3.085 -5.758 1.00 42.21 H new ATOM 0 HA SER A 65 11.735 1.687 -8.125 1.00 71.21 H new ATOM 0 HB2 SER A 65 12.435 3.964 -7.861 1.00 61.22 H new ATOM 0 HB3 SER A 65 13.048 3.678 -6.244 1.00 61.22 H new ATOM 0 HG SER A 65 14.744 3.753 -7.825 1.00 71.41 H new ATOM 932 N GLU A 66 12.994 0.764 -5.233 1.00 12.35 N ATOM 933 CA GLU A 66 13.754 -0.283 -4.563 1.00 41.54 C ATOM 934 C GLU A 66 12.999 -1.609 -4.593 1.00 20.14 C ATOM 935 O GLU A 66 13.603 -2.681 -4.588 1.00 72.14 O ATOM 936 CB GLU A 66 14.050 0.116 -3.116 1.00 53.15 C ATOM 937 CG GLU A 66 15.165 1.139 -2.983 1.00 60.35 C ATOM 938 CD GLU A 66 15.876 1.056 -1.646 1.00 74.15 C ATOM 939 OE1 GLU A 66 16.687 0.123 -1.462 1.00 1.33 O ATOM 940 OE2 GLU A 66 15.622 1.922 -0.783 1.00 41.02 O ATOM 0 H GLU A 66 12.551 1.433 -4.603 1.00 12.35 H new ATOM 0 HA GLU A 66 14.696 -0.410 -5.097 1.00 41.54 H new ATOM 0 HB2 GLU A 66 13.143 0.519 -2.666 1.00 53.15 H new ATOM 0 HB3 GLU A 66 14.317 -0.776 -2.549 1.00 53.15 H new ATOM 0 HG2 GLU A 66 15.888 0.989 -3.785 1.00 60.35 H new ATOM 0 HG3 GLU A 66 14.752 2.140 -3.109 1.00 60.35 H new ATOM 945 N TYR A 67 11.673 -1.526 -4.624 1.00 53.13 N ATOM 946 CA TYR A 67 10.833 -2.717 -4.651 1.00 72.55 C ATOM 947 C TYR A 67 10.659 -3.229 -6.077 1.00 23.32 C ATOM 948 O TYR A 67 10.103 -4.304 -6.300 1.00 30.42 O ATOM 949 CB TYR A 67 9.466 -2.417 -4.034 1.00 52.24 C ATOM 950 CG TYR A 67 9.237 -3.103 -2.706 1.00 53.25 C ATOM 951 CD1 TYR A 67 10.084 -2.877 -1.629 1.00 63.12 C ATOM 952 CD2 TYR A 67 8.172 -3.978 -2.529 1.00 14.42 C ATOM 953 CE1 TYR A 67 9.879 -3.503 -0.415 1.00 21.42 C ATOM 954 CE2 TYR A 67 7.958 -4.608 -1.317 1.00 1.34 C ATOM 955 CZ TYR A 67 8.814 -4.367 -0.264 1.00 60.33 C ATOM 956 OH TYR A 67 8.606 -4.991 0.944 1.00 34.11 O ATOM 0 H TYR A 67 11.157 -0.646 -4.631 1.00 53.13 H new ATOM 0 HA TYR A 67 11.327 -3.492 -4.064 1.00 72.55 H new ATOM 0 HB2 TYR A 67 9.366 -1.340 -3.899 1.00 52.24 H new ATOM 0 HB3 TYR A 67 8.687 -2.724 -4.731 1.00 52.24 H new ATOM 0 HD1 TYR A 67 10.918 -2.200 -1.743 1.00 63.12 H new ATOM 0 HD2 TYR A 67 7.500 -4.169 -3.352 1.00 14.42 H new ATOM 0 HE1 TYR A 67 10.549 -3.317 0.412 1.00 21.42 H new ATOM 0 HE2 TYR A 67 7.125 -5.285 -1.196 1.00 1.34 H new ATOM 0 HH TYR A 67 7.814 -5.565 0.884 1.00 34.11 H new ATOM 965 N ASN A 68 11.140 -2.450 -7.041 1.00 31.44 N ATOM 966 CA ASN A 68 11.038 -2.823 -8.447 1.00 3.23 C ATOM 967 C ASN A 68 9.586 -3.083 -8.837 1.00 41.34 C ATOM 968 O ASN A 68 9.311 -3.823 -9.782 1.00 13.15 O ATOM 969 CB ASN A 68 11.884 -4.066 -8.730 1.00 71.54 C ATOM 970 CG ASN A 68 13.226 -4.024 -8.024 1.00 31.42 C ATOM 971 OD1 ASN A 68 14.048 -3.145 -8.280 1.00 23.25 O ATOM 972 ND2 ASN A 68 13.453 -4.978 -7.128 1.00 34.10 N ATOM 0 H ASN A 68 11.604 -1.557 -6.874 1.00 31.44 H new ATOM 0 HA ASN A 68 11.413 -1.993 -9.045 1.00 3.23 H new ATOM 0 HB2 ASN A 68 11.337 -4.954 -8.413 1.00 71.54 H new ATOM 0 HB3 ASN A 68 12.044 -4.156 -9.804 1.00 71.54 H new ATOM 0 HD21 ASN A 68 14.338 -5.001 -6.621 1.00 34.10 H new ATOM 0 HD22 ASN A 68 12.743 -5.687 -6.947 1.00 34.10 H new ATOM 978 N ILE A 69 8.663 -2.470 -8.104 1.00 41.02 N ATOM 979 CA ILE A 69 7.240 -2.634 -8.375 1.00 41.13 C ATOM 980 C ILE A 69 6.716 -1.511 -9.263 1.00 4.20 C ATOM 981 O ILE A 69 7.168 -0.369 -9.169 1.00 54.23 O ATOM 982 CB ILE A 69 6.420 -2.666 -7.072 1.00 52.55 C ATOM 983 CG1 ILE A 69 6.685 -1.408 -6.244 1.00 21.12 C ATOM 984 CG2 ILE A 69 6.752 -3.916 -6.268 1.00 61.31 C ATOM 985 CD1 ILE A 69 5.738 -1.241 -5.077 1.00 33.25 C ATOM 0 H ILE A 69 8.875 -1.855 -7.318 1.00 41.02 H new ATOM 0 HA ILE A 69 7.125 -3.587 -8.892 1.00 41.13 H new ATOM 0 HB ILE A 69 5.361 -2.692 -7.328 1.00 52.55 H new ATOM 0 HG12 ILE A 69 7.708 -1.439 -5.869 1.00 21.12 H new ATOM 0 HG13 ILE A 69 6.608 -0.534 -6.891 1.00 21.12 H new ATOM 0 HG21 ILE A 69 6.165 -3.925 -5.350 1.00 61.31 H new ATOM 0 HG22 ILE A 69 6.516 -4.802 -6.858 1.00 61.31 H new ATOM 0 HG23 ILE A 69 7.813 -3.918 -6.020 1.00 61.31 H new ATOM 0 HD11 ILE A 69 5.985 -0.328 -4.535 1.00 33.25 H new ATOM 0 HD12 ILE A 69 4.714 -1.178 -5.445 1.00 33.25 H new ATOM 0 HD13 ILE A 69 5.831 -2.096 -4.408 1.00 33.25 H new ATOM 996 N GLN A 70 5.761 -1.843 -10.126 1.00 74.52 N ATOM 997 CA GLN A 70 5.174 -0.861 -11.030 1.00 41.24 C ATOM 998 C GLN A 70 3.942 -0.214 -10.407 1.00 75.00 C ATOM 999 O GLN A 70 2.916 -0.044 -11.066 1.00 61.13 O ATOM 1000 CB GLN A 70 4.802 -1.520 -12.359 1.00 32.40 C ATOM 1001 CG GLN A 70 3.778 -2.635 -12.220 1.00 21.43 C ATOM 1002 CD GLN A 70 3.461 -3.305 -13.542 1.00 13.21 C ATOM 1003 OE1 GLN A 70 4.337 -3.889 -14.181 1.00 61.11 O ATOM 1004 NE2 GLN A 70 2.203 -3.224 -13.960 1.00 31.01 N ATOM 0 H GLN A 70 5.378 -2.784 -10.218 1.00 74.52 H new ATOM 0 HA GLN A 70 5.916 -0.083 -11.212 1.00 41.24 H new ATOM 0 HB2 GLN A 70 4.410 -0.760 -13.035 1.00 32.40 H new ATOM 0 HB3 GLN A 70 5.704 -1.922 -12.821 1.00 32.40 H new ATOM 0 HG2 GLN A 70 4.152 -3.381 -11.519 1.00 21.43 H new ATOM 0 HG3 GLN A 70 2.861 -2.229 -11.794 1.00 21.43 H new ATOM 0 HE21 GLN A 70 1.510 -2.730 -13.398 1.00 31.01 H new ATOM 0 HE22 GLN A 70 1.930 -3.656 -14.843 1.00 31.01 H new ATOM 1011 N LYS A 71 4.049 0.146 -9.132 1.00 5.34 N ATOM 1012 CA LYS A 71 2.945 0.776 -8.419 1.00 13.11 C ATOM 1013 C LYS A 71 2.547 2.091 -9.082 1.00 2.43 C ATOM 1014 O LYS A 71 1.441 2.589 -8.878 1.00 25.04 O ATOM 1015 CB LYS A 71 3.329 1.025 -6.959 1.00 71.53 C ATOM 1016 CG LYS A 71 2.489 2.095 -6.283 1.00 52.14 C ATOM 1017 CD LYS A 71 2.465 1.913 -4.774 1.00 14.00 C ATOM 1018 CE LYS A 71 2.342 3.248 -4.054 1.00 54.33 C ATOM 1019 NZ LYS A 71 1.120 3.310 -3.206 1.00 53.14 N ATOM 0 H LYS A 71 4.890 0.012 -8.571 1.00 5.34 H new ATOM 0 HA LYS A 71 2.091 0.099 -8.454 1.00 13.11 H new ATOM 0 HB2 LYS A 71 3.231 0.093 -6.402 1.00 71.53 H new ATOM 0 HB3 LYS A 71 4.379 1.316 -6.913 1.00 71.53 H new ATOM 0 HG2 LYS A 71 2.888 3.080 -6.526 1.00 52.14 H new ATOM 0 HG3 LYS A 71 1.471 2.059 -6.671 1.00 52.14 H new ATOM 0 HD2 LYS A 71 1.629 1.271 -4.497 1.00 14.00 H new ATOM 0 HD3 LYS A 71 3.376 1.408 -4.453 1.00 14.00 H new ATOM 0 HE2 LYS A 71 3.223 3.408 -3.433 1.00 54.33 H new ATOM 0 HE3 LYS A 71 2.317 4.055 -4.787 1.00 54.33 H new ATOM 0 HZ1 LYS A 71 1.073 4.235 -2.733 1.00 53.14 H new ATOM 0 HZ2 LYS A 71 0.277 3.182 -3.802 1.00 53.14 H new ATOM 0 HZ3 LYS A 71 1.155 2.556 -2.490 1.00 53.14 H new ATOM 1029 N GLU A 72 3.456 2.645 -9.878 1.00 23.32 N ATOM 1030 CA GLU A 72 3.199 3.902 -10.572 1.00 5.10 C ATOM 1031 C GLU A 72 2.280 3.683 -11.771 1.00 62.21 C ATOM 1032 O GLU A 72 2.649 3.969 -12.910 1.00 62.15 O ATOM 1033 CB GLU A 72 4.513 4.535 -11.032 1.00 63.33 C ATOM 1034 CG GLU A 72 5.376 3.606 -11.872 1.00 32.55 C ATOM 1035 CD GLU A 72 6.257 4.357 -12.851 1.00 71.02 C ATOM 1036 OE1 GLU A 72 5.793 5.372 -13.410 1.00 63.42 O ATOM 1037 OE2 GLU A 72 7.411 3.927 -13.058 1.00 10.32 O ATOM 0 H GLU A 72 4.376 2.244 -10.058 1.00 23.32 H new ATOM 0 HA GLU A 72 2.704 4.578 -9.874 1.00 5.10 H new ATOM 0 HB2 GLU A 72 4.291 5.432 -11.610 1.00 63.33 H new ATOM 0 HB3 GLU A 72 5.080 4.851 -10.157 1.00 63.33 H new ATOM 0 HG2 GLU A 72 6.002 3.003 -11.214 1.00 32.55 H new ATOM 0 HG3 GLU A 72 4.734 2.917 -12.421 1.00 32.55 H new ATOM 1042 N SER A 73 1.081 3.174 -11.505 1.00 45.33 N ATOM 1043 CA SER A 73 0.111 2.912 -12.561 1.00 2.32 C ATOM 1044 C SER A 73 -1.306 2.872 -11.999 1.00 31.41 C ATOM 1045 O SER A 73 -2.049 3.851 -12.082 1.00 64.41 O ATOM 1046 CB SER A 73 0.432 1.590 -13.262 1.00 12.10 C ATOM 1047 OG SER A 73 -0.610 1.216 -14.146 1.00 0.33 O ATOM 0 H SER A 73 0.759 2.935 -10.567 1.00 45.33 H new ATOM 0 HA SER A 73 0.173 3.723 -13.286 1.00 2.32 H new ATOM 0 HB2 SER A 73 1.366 1.686 -13.816 1.00 12.10 H new ATOM 0 HB3 SER A 73 0.581 0.807 -12.518 1.00 12.10 H new ATOM 0 HG SER A 73 -0.380 0.369 -14.583 1.00 0.33 H new ATOM 1052 N THR A 74 -1.677 1.731 -11.426 1.00 14.25 N ATOM 1053 CA THR A 74 -3.006 1.561 -10.850 1.00 44.51 C ATOM 1054 C THR A 74 -2.933 0.868 -9.495 1.00 71.24 C ATOM 1055 O THR A 74 -2.631 -0.324 -9.410 1.00 31.51 O ATOM 1056 CB THR A 74 -3.922 0.746 -11.782 1.00 3.02 C ATOM 1057 OG1 THR A 74 -3.421 0.792 -13.123 1.00 12.12 O ATOM 1058 CG2 THR A 74 -5.345 1.283 -11.748 1.00 42.05 C ATOM 0 H THR A 74 -1.076 0.911 -11.348 1.00 14.25 H new ATOM 0 HA THR A 74 -3.425 2.559 -10.723 1.00 44.51 H new ATOM 0 HB THR A 74 -3.932 -0.287 -11.433 1.00 3.02 H new ATOM 0 HG1 THR A 74 -4.008 0.270 -13.709 1.00 12.12 H new ATOM 0 HG21 THR A 74 -5.973 0.691 -12.414 1.00 42.05 H new ATOM 0 HG22 THR A 74 -5.734 1.220 -10.732 1.00 42.05 H new ATOM 0 HG23 THR A 74 -5.349 2.323 -12.074 1.00 42.05 H new ATOM 1066 N LEU A 75 -3.211 1.620 -8.435 1.00 44.21 N ATOM 1067 CA LEU A 75 -3.177 1.077 -7.082 1.00 61.45 C ATOM 1068 C LEU A 75 -4.425 1.480 -6.303 1.00 70.42 C ATOM 1069 O LEU A 75 -4.963 2.572 -6.491 1.00 2.42 O ATOM 1070 CB LEU A 75 -1.926 1.562 -6.347 1.00 41.40 C ATOM 1071 CG LEU A 75 -0.860 0.502 -6.067 1.00 50.54 C ATOM 1072 CD1 LEU A 75 -1.288 -0.394 -4.916 1.00 51.14 C ATOM 1073 CD2 LEU A 75 -0.587 -0.324 -7.317 1.00 75.34 C ATOM 0 H LEU A 75 -3.462 2.607 -8.487 1.00 44.21 H new ATOM 0 HA LEU A 75 -3.150 -0.010 -7.154 1.00 61.45 H new ATOM 0 HB2 LEU A 75 -1.471 2.360 -6.933 1.00 41.40 H new ATOM 0 HB3 LEU A 75 -2.233 1.999 -5.397 1.00 41.40 H new ATOM 0 HG LEU A 75 0.062 1.008 -5.782 1.00 50.54 H new ATOM 0 HD11 LEU A 75 -0.517 -1.142 -4.731 1.00 51.14 H new ATOM 0 HD12 LEU A 75 -1.431 0.209 -4.019 1.00 51.14 H new ATOM 0 HD13 LEU A 75 -2.223 -0.892 -5.171 1.00 51.14 H new ATOM 0 HD21 LEU A 75 0.174 -1.073 -7.099 1.00 75.34 H new ATOM 0 HD22 LEU A 75 -1.505 -0.820 -7.633 1.00 75.34 H new ATOM 0 HD23 LEU A 75 -0.235 0.329 -8.115 1.00 75.34 H new ATOM 1084 N HIS A 76 -4.880 0.592 -5.424 1.00 31.33 N ATOM 1085 CA HIS A 76 -6.064 0.856 -4.613 1.00 1.25 C ATOM 1086 C HIS A 76 -5.829 0.451 -3.162 1.00 34.42 C ATOM 1087 O HIS A 76 -5.757 -0.736 -2.842 1.00 71.14 O ATOM 1088 CB HIS A 76 -7.271 0.106 -5.176 1.00 55.42 C ATOM 1089 CG HIS A 76 -7.145 -0.226 -6.632 1.00 70.03 C ATOM 1090 ND1 HIS A 76 -6.661 -1.434 -7.089 1.00 61.32 N ATOM 1091 CD2 HIS A 76 -7.445 0.498 -7.734 1.00 72.10 C ATOM 1092 CE1 HIS A 76 -6.667 -1.437 -8.410 1.00 64.22 C ATOM 1093 NE2 HIS A 76 -7.139 -0.275 -8.826 1.00 40.14 N ATOM 0 H HIS A 76 -4.447 -0.316 -5.255 1.00 31.33 H new ATOM 0 HA HIS A 76 -6.265 1.927 -4.644 1.00 1.25 H new ATOM 0 HB2 HIS A 76 -7.410 -0.816 -4.612 1.00 55.42 H new ATOM 0 HB3 HIS A 76 -8.166 0.710 -5.026 1.00 55.42 H new ATOM 0 HD1 HIS A 76 -6.347 -2.205 -6.499 1.00 61.32 H new ATOM 0 HD2 HIS A 76 -7.850 1.499 -7.752 1.00 72.10 H new ATOM 0 HE1 HIS A 76 -6.342 -2.250 -9.042 1.00 64.22 H new ATOM 1100 N LEU A 77 -5.712 1.444 -2.287 1.00 5.03 N ATOM 1101 CA LEU A 77 -5.484 1.192 -0.868 1.00 1.23 C ATOM 1102 C LEU A 77 -6.490 1.955 -0.012 1.00 60.30 C ATOM 1103 O LEU A 77 -6.314 3.143 0.261 1.00 4.50 O ATOM 1104 CB LEU A 77 -4.060 1.592 -0.481 1.00 41.14 C ATOM 1105 CG LEU A 77 -3.464 2.777 -1.241 1.00 33.04 C ATOM 1106 CD1 LEU A 77 -2.499 3.549 -0.355 1.00 11.51 C ATOM 1107 CD2 LEU A 77 -2.766 2.303 -2.508 1.00 72.43 C ATOM 0 H LEU A 77 -5.771 2.432 -2.535 1.00 5.03 H new ATOM 0 HA LEU A 77 -5.616 0.125 -0.687 1.00 1.23 H new ATOM 0 HB2 LEU A 77 -4.047 1.826 0.584 1.00 41.14 H new ATOM 0 HB3 LEU A 77 -3.410 0.729 -0.626 1.00 41.14 H new ATOM 0 HG LEU A 77 -4.276 3.445 -1.527 1.00 33.04 H new ATOM 0 HD11 LEU A 77 -2.085 4.389 -0.913 1.00 11.51 H new ATOM 0 HD12 LEU A 77 -3.029 3.922 0.522 1.00 11.51 H new ATOM 0 HD13 LEU A 77 -1.691 2.891 -0.037 1.00 11.51 H new ATOM 0 HD21 LEU A 77 -2.348 3.160 -3.036 1.00 72.43 H new ATOM 0 HD22 LEU A 77 -1.964 1.613 -2.245 1.00 72.43 H new ATOM 0 HD23 LEU A 77 -3.485 1.796 -3.152 1.00 72.43 H new ATOM 1118 N VAL A 78 -7.542 1.264 0.412 1.00 13.35 N ATOM 1119 CA VAL A 78 -8.575 1.875 1.241 1.00 61.22 C ATOM 1120 C VAL A 78 -9.221 0.846 2.162 1.00 64.44 C ATOM 1121 O VAL A 78 -9.713 -0.188 1.708 1.00 23.53 O ATOM 1122 CB VAL A 78 -9.668 2.535 0.380 1.00 34.41 C ATOM 1123 CG1 VAL A 78 -10.848 2.954 1.245 1.00 4.22 C ATOM 1124 CG2 VAL A 78 -9.103 3.726 -0.378 1.00 71.45 C ATOM 0 H VAL A 78 -7.702 0.280 0.195 1.00 13.35 H new ATOM 0 HA VAL A 78 -8.086 2.640 1.843 1.00 61.22 H new ATOM 0 HB VAL A 78 -10.022 1.806 -0.348 1.00 34.41 H new ATOM 0 HG11 VAL A 78 -11.611 3.419 0.620 1.00 4.22 H new ATOM 0 HG12 VAL A 78 -11.268 2.077 1.738 1.00 4.22 H new ATOM 0 HG13 VAL A 78 -10.512 3.667 1.998 1.00 4.22 H new ATOM 0 HG21 VAL A 78 -9.889 4.180 -0.981 1.00 71.45 H new ATOM 0 HG22 VAL A 78 -8.720 4.460 0.331 1.00 71.45 H new ATOM 0 HG23 VAL A 78 -8.294 3.393 -1.028 1.00 71.45 H new ATOM 1134 N LEU A 79 -9.216 1.136 3.459 1.00 43.55 N ATOM 1135 CA LEU A 79 -9.801 0.236 4.446 1.00 74.41 C ATOM 1136 C LEU A 79 -11.028 0.867 5.099 1.00 44.52 C ATOM 1137 O LEU A 79 -10.913 1.835 5.851 1.00 13.15 O ATOM 1138 CB LEU A 79 -8.768 -0.123 5.515 1.00 22.53 C ATOM 1139 CG LEU A 79 -9.233 -1.099 6.597 1.00 24.10 C ATOM 1140 CD1 LEU A 79 -9.490 -2.474 6.001 1.00 44.10 C ATOM 1141 CD2 LEU A 79 -8.204 -1.185 7.715 1.00 31.44 C ATOM 0 H LEU A 79 -8.813 1.987 3.851 1.00 43.55 H new ATOM 0 HA LEU A 79 -10.113 -0.673 3.932 1.00 74.41 H new ATOM 0 HB2 LEU A 79 -7.896 -0.549 5.020 1.00 22.53 H new ATOM 0 HB3 LEU A 79 -8.442 0.797 6.000 1.00 22.53 H new ATOM 0 HG LEU A 79 -10.167 -0.727 7.017 1.00 24.10 H new ATOM 0 HD11 LEU A 79 -9.820 -3.155 6.786 1.00 44.10 H new ATOM 0 HD12 LEU A 79 -10.263 -2.400 5.236 1.00 44.10 H new ATOM 0 HD13 LEU A 79 -8.572 -2.854 5.554 1.00 44.10 H new ATOM 0 HD21 LEU A 79 -8.551 -1.884 8.476 1.00 31.44 H new ATOM 0 HD22 LEU A 79 -7.254 -1.533 7.309 1.00 31.44 H new ATOM 0 HD23 LEU A 79 -8.069 -0.200 8.162 1.00 31.44 H new ATOM 1152 N ARG A 80 -12.199 0.311 4.807 1.00 65.22 N ATOM 1153 CA ARG A 80 -13.446 0.820 5.366 1.00 50.34 C ATOM 1154 C ARG A 80 -13.520 2.338 5.239 1.00 24.02 C ATOM 1155 O ARG A 80 -13.492 3.058 6.237 1.00 74.24 O ATOM 1156 CB ARG A 80 -13.573 0.414 6.836 1.00 40.15 C ATOM 1157 CG ARG A 80 -15.005 0.404 7.343 1.00 13.13 C ATOM 1158 CD ARG A 80 -15.066 0.615 8.847 1.00 74.45 C ATOM 1159 NE ARG A 80 -16.330 0.154 9.415 1.00 62.10 N ATOM 1160 CZ ARG A 80 -16.613 -1.124 9.639 1.00 71.12 C ATOM 1161 NH1 ARG A 80 -15.725 -2.063 9.345 1.00 42.35 N ATOM 1162 NH2 ARG A 80 -17.786 -1.465 10.158 1.00 62.32 N ATOM 0 H ARG A 80 -12.311 -0.491 4.187 1.00 65.22 H new ATOM 0 HA ARG A 80 -14.272 0.385 4.802 1.00 50.34 H new ATOM 0 HB2 ARG A 80 -13.143 -0.579 6.969 1.00 40.15 H new ATOM 0 HB3 ARG A 80 -12.985 1.100 7.446 1.00 40.15 H new ATOM 0 HG2 ARG A 80 -15.575 1.186 6.842 1.00 13.13 H new ATOM 0 HG3 ARG A 80 -15.475 -0.546 7.089 1.00 13.13 H new ATOM 0 HD2 ARG A 80 -14.241 0.084 9.321 1.00 74.45 H new ATOM 0 HD3 ARG A 80 -14.933 1.674 9.070 1.00 74.45 H new ATOM 0 HE ARG A 80 -17.034 0.852 9.653 1.00 62.10 H new ATOM 0 HH11 ARG A 80 -14.823 -1.805 8.946 1.00 42.35 H new ATOM 0 HH12 ARG A 80 -15.944 -3.044 9.518 1.00 42.35 H new ATOM 0 HH21 ARG A 80 -18.472 -0.745 10.385 1.00 62.32 H new ATOM 0 HH22 ARG A 80 -18.002 -2.447 10.329 1.00 62.32 H new ATOM 1173 N LEU A 81 -13.614 2.818 4.003 1.00 32.12 N ATOM 1174 CA LEU A 81 -13.692 4.252 3.744 1.00 70.54 C ATOM 1175 C LEU A 81 -14.783 4.900 4.591 1.00 30.12 C ATOM 1176 O LEU A 81 -15.644 4.214 5.142 1.00 10.12 O ATOM 1177 CB LEU A 81 -13.963 4.508 2.260 1.00 61.11 C ATOM 1178 CG LEU A 81 -15.390 4.238 1.782 1.00 51.21 C ATOM 1179 CD1 LEU A 81 -15.882 2.896 2.301 1.00 42.20 C ATOM 1180 CD2 LEU A 81 -16.321 5.356 2.225 1.00 22.32 C ATOM 0 H LEU A 81 -13.638 2.236 3.166 1.00 32.12 H new ATOM 0 HA LEU A 81 -12.735 4.698 4.015 1.00 70.54 H new ATOM 0 HB2 LEU A 81 -13.718 5.547 2.041 1.00 61.11 H new ATOM 0 HB3 LEU A 81 -13.282 3.890 1.675 1.00 61.11 H new ATOM 0 HG LEU A 81 -15.387 4.204 0.693 1.00 51.21 H new ATOM 0 HD11 LEU A 81 -16.899 2.721 1.951 1.00 42.20 H new ATOM 0 HD12 LEU A 81 -15.230 2.103 1.934 1.00 42.20 H new ATOM 0 HD13 LEU A 81 -15.869 2.901 3.391 1.00 42.20 H new ATOM 0 HD21 LEU A 81 -17.332 5.147 1.876 1.00 22.32 H new ATOM 0 HD22 LEU A 81 -16.319 5.422 3.313 1.00 22.32 H new ATOM 0 HD23 LEU A 81 -15.980 6.302 1.804 1.00 22.32 H new ATOM 1191 N ARG A 82 -14.740 6.224 4.688 1.00 21.24 N ATOM 1192 CA ARG A 82 -15.726 6.965 5.466 1.00 70.32 C ATOM 1193 C ARG A 82 -15.398 8.455 5.481 1.00 32.33 C ATOM 1194 O ARG A 82 -14.368 8.880 4.961 1.00 22.33 O ATOM 1195 CB ARG A 82 -15.782 6.431 6.899 1.00 63.44 C ATOM 1196 CG ARG A 82 -17.116 5.799 7.262 1.00 4.43 C ATOM 1197 CD ARG A 82 -17.884 6.652 8.259 1.00 61.30 C ATOM 1198 NE ARG A 82 -17.802 6.116 9.615 1.00 64.42 N ATOM 1199 CZ ARG A 82 -18.089 6.823 10.703 1.00 5.21 C ATOM 1200 NH1 ARG A 82 -18.475 8.086 10.594 1.00 31.30 N ATOM 1201 NH2 ARG A 82 -17.990 6.265 11.903 1.00 43.34 N ATOM 0 H ARG A 82 -14.033 6.806 4.238 1.00 21.24 H new ATOM 0 HA ARG A 82 -16.700 6.829 4.996 1.00 70.32 H new ATOM 0 HB2 ARG A 82 -14.991 5.693 7.034 1.00 63.44 H new ATOM 0 HB3 ARG A 82 -15.577 7.248 7.591 1.00 63.44 H new ATOM 0 HG2 ARG A 82 -17.713 5.665 6.360 1.00 4.43 H new ATOM 0 HG3 ARG A 82 -16.948 4.808 7.683 1.00 4.43 H new ATOM 0 HD2 ARG A 82 -17.490 7.668 8.246 1.00 61.30 H new ATOM 0 HD3 ARG A 82 -18.929 6.712 7.955 1.00 61.30 H new ATOM 0 HE ARG A 82 -17.509 5.146 9.733 1.00 64.42 H new ATOM 0 HH11 ARG A 82 -18.552 8.518 9.673 1.00 31.30 H new ATOM 0 HH12 ARG A 82 -18.695 8.626 11.431 1.00 31.30 H new ATOM 0 HH21 ARG A 82 -17.693 5.293 11.991 1.00 43.34 H new ATOM 0 HH22 ARG A 82 -18.210 6.808 12.738 1.00 43.34 H new ATOM 1212 N GLY A 83 -16.285 9.246 6.080 1.00 51.03 N ATOM 1213 CA GLY A 83 -16.072 10.680 6.151 1.00 53.41 C ATOM 1214 C GLY A 83 -16.031 11.327 4.781 1.00 13.05 C ATOM 1215 O GLY A 83 -15.864 10.645 3.769 1.00 24.14 O ATOM 0 H GLY A 83 -17.147 8.919 6.517 1.00 51.03 H new ATOM 0 HA2 GLY A 83 -16.869 11.134 6.740 1.00 53.41 H new ATOM 0 HA3 GLY A 83 -15.136 10.880 6.672 1.00 53.41 H new ATOM 1219 N TYR A 84 -16.187 12.646 4.746 1.00 74.43 N ATOM 1220 CA TYR A 84 -16.172 13.385 3.491 1.00 2.31 C ATOM 1221 C TYR A 84 -16.217 14.889 3.742 1.00 35.42 C ATOM 1222 O TYR A 84 -16.807 15.642 2.968 1.00 64.22 O ATOM 1223 CB TYR A 84 -17.355 12.968 2.615 1.00 23.01 C ATOM 1224 CG TYR A 84 -17.059 13.022 1.132 1.00 62.50 C ATOM 1225 CD1 TYR A 84 -16.539 11.919 0.468 1.00 51.42 C ATOM 1226 CD2 TYR A 84 -17.299 14.177 0.398 1.00 41.11 C ATOM 1227 CE1 TYR A 84 -16.267 11.963 -0.886 1.00 13.14 C ATOM 1228 CE2 TYR A 84 -17.031 14.230 -0.957 1.00 72.33 C ATOM 1229 CZ TYR A 84 -16.515 13.121 -1.594 1.00 13.43 C ATOM 1230 OH TYR A 84 -16.246 13.171 -2.942 1.00 45.34 O ATOM 0 H TYR A 84 -16.325 13.225 5.574 1.00 74.43 H new ATOM 0 HA TYR A 84 -15.243 13.150 2.972 1.00 2.31 H new ATOM 0 HB2 TYR A 84 -17.654 11.954 2.881 1.00 23.01 H new ATOM 0 HB3 TYR A 84 -18.203 13.617 2.832 1.00 23.01 H new ATOM 0 HD1 TYR A 84 -16.344 11.011 1.019 1.00 51.42 H new ATOM 0 HD2 TYR A 84 -17.702 15.048 0.894 1.00 41.11 H new ATOM 0 HE1 TYR A 84 -15.863 11.096 -1.387 1.00 13.14 H new ATOM 0 HE2 TYR A 84 -17.225 15.135 -1.514 1.00 72.33 H new ATOM 0 HH TYR A 84 -16.478 14.057 -3.289 1.00 45.34 H new ATOM 1239 N ALA A 85 -15.590 15.319 4.832 1.00 61.22 N ATOM 1240 CA ALA A 85 -15.555 16.733 5.187 1.00 55.31 C ATOM 1241 C ALA A 85 -14.471 17.468 4.406 1.00 75.12 C ATOM 1242 O ALA A 85 -13.892 16.923 3.466 1.00 13.04 O ATOM 1243 CB ALA A 85 -15.333 16.896 6.683 1.00 52.34 C ATOM 0 H ALA A 85 -15.099 14.708 5.485 1.00 61.22 H new ATOM 0 HA ALA A 85 -16.517 17.173 4.924 1.00 55.31 H new ATOM 0 HB1 ALA A 85 -15.309 17.956 6.934 1.00 52.34 H new ATOM 0 HB2 ALA A 85 -16.145 16.413 7.226 1.00 52.34 H new ATOM 0 HB3 ALA A 85 -14.385 16.436 6.963 1.00 52.34 H new ATOM 1249 N ASP A 86 -14.202 18.706 4.801 1.00 23.50 N ATOM 1250 CA ASP A 86 -13.186 19.517 4.139 1.00 0.14 C ATOM 1251 C ASP A 86 -12.609 20.555 5.096 1.00 4.12 C ATOM 1252 O ASP A 86 -13.317 21.090 5.950 1.00 12.03 O ATOM 1253 CB ASP A 86 -13.779 20.212 2.912 1.00 4.11 C ATOM 1254 CG ASP A 86 -14.431 19.235 1.952 1.00 32.32 C ATOM 1255 OD1 ASP A 86 -15.592 18.847 2.199 1.00 60.13 O ATOM 1256 OD2 ASP A 86 -13.780 18.859 0.955 1.00 3.24 O ATOM 0 H ASP A 86 -14.673 19.171 5.577 1.00 23.50 H new ATOM 0 HA ASP A 86 -12.380 18.856 3.820 1.00 0.14 H new ATOM 0 HB2 ASP A 86 -14.517 20.947 3.235 1.00 4.11 H new ATOM 0 HB3 ASP A 86 -12.992 20.758 2.392 1.00 4.11 H new ATOM 1260 N LEU A 87 -11.318 20.833 4.950 1.00 42.41 N ATOM 1261 CA LEU A 87 -10.644 21.806 5.802 1.00 60.31 C ATOM 1262 C LEU A 87 -10.739 21.403 7.270 1.00 74.51 C ATOM 1263 O LEU A 87 -11.132 22.203 8.119 1.00 23.51 O ATOM 1264 CB LEU A 87 -11.251 23.196 5.602 1.00 51.45 C ATOM 1265 CG LEU A 87 -11.328 23.693 4.158 1.00 55.22 C ATOM 1266 CD1 LEU A 87 -12.441 24.719 4.007 1.00 53.20 C ATOM 1267 CD2 LEU A 87 -9.994 24.282 3.725 1.00 3.41 C ATOM 0 H LEU A 87 -10.717 20.398 4.250 1.00 42.41 H new ATOM 0 HA LEU A 87 -9.592 21.832 5.519 1.00 60.31 H new ATOM 0 HB2 LEU A 87 -12.258 23.194 6.019 1.00 51.45 H new ATOM 0 HB3 LEU A 87 -10.668 23.912 6.181 1.00 51.45 H new ATOM 0 HG LEU A 87 -11.553 22.844 3.512 1.00 55.22 H new ATOM 0 HD11 LEU A 87 -12.482 25.062 2.973 1.00 53.20 H new ATOM 0 HD12 LEU A 87 -13.394 24.264 4.276 1.00 53.20 H new ATOM 0 HD13 LEU A 87 -12.246 25.567 4.663 1.00 53.20 H new ATOM 0 HD21 LEU A 87 -10.067 24.631 2.695 1.00 3.41 H new ATOM 0 HD22 LEU A 87 -9.738 25.119 4.374 1.00 3.41 H new ATOM 0 HD23 LEU A 87 -9.219 23.519 3.795 1.00 3.41 H new ATOM 1278 N ARG A 88 -10.378 20.158 7.561 1.00 70.33 N ATOM 1279 CA ARG A 88 -10.422 19.648 8.927 1.00 24.13 C ATOM 1280 C ARG A 88 -9.337 18.600 9.152 1.00 13.51 C ATOM 1281 O ARG A 88 -9.455 17.464 8.692 1.00 45.20 O ATOM 1282 CB ARG A 88 -11.797 19.048 9.225 1.00 13.12 C ATOM 1283 CG ARG A 88 -12.101 18.931 10.710 1.00 73.22 C ATOM 1284 CD ARG A 88 -12.255 20.298 11.357 1.00 63.33 C ATOM 1285 NE ARG A 88 -12.751 20.203 12.727 1.00 14.50 N ATOM 1286 CZ ARG A 88 -12.771 21.226 13.575 1.00 55.54 C ATOM 1287 NH1 ARG A 88 -12.324 22.414 13.195 1.00 2.52 N ATOM 1288 NH2 ARG A 88 -13.239 21.059 14.805 1.00 33.21 N ATOM 0 H ARG A 88 -10.052 19.483 6.869 1.00 70.33 H new ATOM 0 HA ARG A 88 -10.242 20.482 9.606 1.00 24.13 H new ATOM 0 HB2 ARG A 88 -12.563 19.664 8.753 1.00 13.12 H new ATOM 0 HB3 ARG A 88 -11.859 18.059 8.771 1.00 13.12 H new ATOM 0 HG2 ARG A 88 -13.016 18.356 10.851 1.00 73.22 H new ATOM 0 HG3 ARG A 88 -11.300 18.382 11.204 1.00 73.22 H new ATOM 0 HD2 ARG A 88 -11.293 20.810 11.355 1.00 63.33 H new ATOM 0 HD3 ARG A 88 -12.940 20.904 10.765 1.00 63.33 H new ATOM 0 HE ARG A 88 -13.102 19.302 13.051 1.00 14.50 H new ATOM 0 HH11 ARG A 88 -11.964 22.545 12.250 1.00 2.52 H new ATOM 0 HH12 ARG A 88 -12.340 23.198 13.848 1.00 2.52 H new ATOM 0 HH21 ARG A 88 -13.583 20.145 15.100 1.00 33.21 H new ATOM 0 HH22 ARG A 88 -13.254 21.844 15.456 1.00 33.21 H new ATOM 1299 N GLU A 89 -8.283 18.989 9.861 1.00 43.21 N ATOM 1300 CA GLU A 89 -7.176 18.082 10.145 1.00 52.22 C ATOM 1301 C GLU A 89 -6.614 17.490 8.855 1.00 22.41 C ATOM 1302 O GLU A 89 -6.062 16.390 8.854 1.00 54.41 O ATOM 1303 CB GLU A 89 -7.636 16.958 11.076 1.00 22.12 C ATOM 1304 CG GLU A 89 -8.232 17.456 12.382 1.00 13.34 C ATOM 1305 CD GLU A 89 -7.310 18.405 13.120 1.00 71.31 C ATOM 1306 OE1 GLU A 89 -7.148 19.554 12.660 1.00 31.22 O ATOM 1307 OE2 GLU A 89 -6.750 17.999 14.160 1.00 42.15 O ATOM 0 H GLU A 89 -8.171 19.925 10.250 1.00 43.21 H new ATOM 0 HA GLU A 89 -6.388 18.653 10.637 1.00 52.22 H new ATOM 0 HB2 GLU A 89 -8.376 16.348 10.558 1.00 22.12 H new ATOM 0 HB3 GLU A 89 -6.788 16.310 11.297 1.00 22.12 H new ATOM 0 HG2 GLU A 89 -9.177 17.959 12.177 1.00 13.34 H new ATOM 0 HG3 GLU A 89 -8.458 16.603 13.022 1.00 13.34 H new ATOM 1312 N ASP A 90 -6.757 18.229 7.760 1.00 75.43 N ATOM 1313 CA ASP A 90 -6.263 17.779 6.464 1.00 50.25 C ATOM 1314 C ASP A 90 -4.739 17.833 6.415 1.00 22.05 C ATOM 1315 O ASP A 90 -4.093 18.520 7.206 1.00 64.23 O ATOM 1316 CB ASP A 90 -6.853 18.636 5.344 1.00 12.14 C ATOM 1317 CG ASP A 90 -8.146 18.063 4.796 1.00 23.12 C ATOM 1318 OD1 ASP A 90 -8.111 16.944 4.244 1.00 41.04 O ATOM 1319 OD2 ASP A 90 -9.191 18.736 4.918 1.00 50.32 O ATOM 0 H ASP A 90 -7.211 19.142 7.744 1.00 75.43 H new ATOM 0 HA ASP A 90 -6.576 16.745 6.322 1.00 50.25 H new ATOM 0 HB2 ASP A 90 -7.035 19.643 5.719 1.00 12.14 H new ATOM 0 HB3 ASP A 90 -6.126 18.723 4.536 1.00 12.14 H new ATOM 1323 N PRO A 91 -4.151 17.091 5.465 1.00 24.24 N ATOM 1324 CA PRO A 91 -2.696 17.038 5.290 1.00 1.14 C ATOM 1325 C PRO A 91 -2.128 18.349 4.757 1.00 13.22 C ATOM 1326 O PRO A 91 -2.867 19.203 4.267 1.00 1.22 O ATOM 1327 CB PRO A 91 -2.503 15.916 4.267 1.00 40.21 C ATOM 1328 CG PRO A 91 -3.784 15.871 3.508 1.00 2.04 C ATOM 1329 CD PRO A 91 -4.860 16.249 4.488 1.00 35.01 C ATOM 0 HA PRO A 91 -2.178 16.867 6.234 1.00 1.14 H new ATOM 0 HB2 PRO A 91 -1.659 16.122 3.608 1.00 40.21 H new ATOM 0 HB3 PRO A 91 -2.300 14.964 4.757 1.00 40.21 H new ATOM 0 HG2 PRO A 91 -3.763 16.563 2.666 1.00 2.04 H new ATOM 0 HG3 PRO A 91 -3.961 14.876 3.099 1.00 2.04 H new ATOM 0 HD2 PRO A 91 -5.672 16.792 4.004 1.00 35.01 H new ATOM 0 HD3 PRO A 91 -5.301 15.371 4.959 1.00 35.01 H new ATOM 1334 N ASP A 92 -0.812 18.501 4.855 1.00 74.15 N ATOM 1335 CA ASP A 92 -0.144 19.708 4.381 1.00 11.12 C ATOM 1336 C ASP A 92 1.371 19.566 4.485 1.00 22.14 C ATOM 1337 O ASP A 92 1.937 19.632 5.576 1.00 43.14 O ATOM 1338 CB ASP A 92 -0.612 20.923 5.183 1.00 0.31 C ATOM 1339 CG ASP A 92 -0.743 20.625 6.664 1.00 1.23 C ATOM 1340 OD1 ASP A 92 -1.830 20.176 7.085 1.00 22.32 O ATOM 1341 OD2 ASP A 92 0.242 20.839 7.401 1.00 14.11 O ATOM 0 H ASP A 92 -0.186 17.804 5.258 1.00 74.15 H new ATOM 0 HA ASP A 92 -0.406 19.852 3.333 1.00 11.12 H new ATOM 0 HB2 ASP A 92 0.094 21.742 5.041 1.00 0.31 H new ATOM 0 HB3 ASP A 92 -1.574 21.261 4.797 1.00 0.31 H new ATOM 1345 N ARG A 93 2.022 19.372 3.342 1.00 32.51 N ATOM 1346 CA ARG A 93 3.471 19.220 3.305 1.00 44.00 C ATOM 1347 C ARG A 93 4.058 19.901 2.071 1.00 75.13 C ATOM 1348 O ARG A 93 3.365 20.637 1.370 1.00 64.41 O ATOM 1349 CB ARG A 93 3.849 17.737 3.311 1.00 44.13 C ATOM 1350 CG ARG A 93 3.593 17.039 1.986 1.00 51.30 C ATOM 1351 CD ARG A 93 4.070 15.595 2.016 1.00 63.04 C ATOM 1352 NE ARG A 93 3.639 14.901 3.226 1.00 42.02 N ATOM 1353 CZ ARG A 93 4.224 13.803 3.693 1.00 3.22 C ATOM 1354 NH1 ARG A 93 5.260 13.278 3.053 1.00 20.21 N ATOM 1355 NH2 ARG A 93 3.773 13.229 4.800 1.00 51.03 N ATOM 0 H ARG A 93 1.569 19.317 2.430 1.00 32.51 H new ATOM 0 HA ARG A 93 3.885 19.697 4.193 1.00 44.00 H new ATOM 0 HB2 ARG A 93 4.905 17.641 3.565 1.00 44.13 H new ATOM 0 HB3 ARG A 93 3.285 17.230 4.094 1.00 44.13 H new ATOM 0 HG2 ARG A 93 2.527 17.067 1.759 1.00 51.30 H new ATOM 0 HG3 ARG A 93 4.103 17.575 1.186 1.00 51.30 H new ATOM 0 HD2 ARG A 93 3.688 15.069 1.141 1.00 63.04 H new ATOM 0 HD3 ARG A 93 5.158 15.571 1.953 1.00 63.04 H new ATOM 0 HE ARG A 93 2.845 15.280 3.742 1.00 42.02 H new ATOM 0 HH11 ARG A 93 5.609 13.717 2.201 1.00 20.21 H new ATOM 0 HH12 ARG A 93 5.708 12.435 3.413 1.00 20.21 H new ATOM 0 HH21 ARG A 93 2.976 13.630 5.294 1.00 51.03 H new ATOM 0 HH22 ARG A 93 4.223 12.386 5.157 1.00 51.03 H new ATOM 1366 N GLN A 94 5.338 19.648 1.816 1.00 14.15 N ATOM 1367 CA GLN A 94 6.017 20.238 0.668 1.00 42.31 C ATOM 1368 C GLN A 94 6.394 19.168 -0.351 1.00 33.15 C ATOM 1369 O GLN A 94 6.114 17.985 -0.155 1.00 33.11 O ATOM 1370 CB GLN A 94 7.269 20.991 1.122 1.00 12.35 C ATOM 1371 CG GLN A 94 8.368 20.082 1.646 1.00 61.33 C ATOM 1372 CD GLN A 94 9.268 20.775 2.650 1.00 61.04 C ATOM 1373 OE1 GLN A 94 10.344 21.264 2.303 1.00 35.52 O ATOM 1374 NE2 GLN A 94 8.833 20.820 3.904 1.00 72.30 N ATOM 0 H GLN A 94 5.925 19.040 2.387 1.00 14.15 H new ATOM 0 HA GLN A 94 5.331 20.940 0.193 1.00 42.31 H new ATOM 0 HB2 GLN A 94 7.657 21.572 0.285 1.00 12.35 H new ATOM 0 HB3 GLN A 94 6.993 21.701 1.902 1.00 12.35 H new ATOM 0 HG2 GLN A 94 7.918 19.205 2.111 1.00 61.33 H new ATOM 0 HG3 GLN A 94 8.969 19.726 0.810 1.00 61.33 H new ATOM 0 HE21 GLN A 94 7.935 20.402 4.148 1.00 72.30 H new ATOM 0 HE22 GLN A 94 9.397 21.273 4.623 1.00 72.30 H new ATOM 1381 N ASP A 95 7.030 19.591 -1.438 1.00 52.00 N ATOM 1382 CA ASP A 95 7.445 18.668 -2.487 1.00 4.05 C ATOM 1383 C ASP A 95 8.272 19.389 -3.549 1.00 62.34 C ATOM 1384 O ASP A 95 8.382 20.615 -3.537 1.00 21.22 O ATOM 1385 CB ASP A 95 6.224 18.013 -3.134 1.00 33.12 C ATOM 1386 CG ASP A 95 6.559 16.691 -3.797 1.00 12.33 C ATOM 1387 OD1 ASP A 95 7.109 15.806 -3.110 1.00 2.20 O ATOM 1388 OD2 ASP A 95 6.271 16.543 -5.004 1.00 64.13 O ATOM 0 H ASP A 95 7.269 20.567 -1.615 1.00 52.00 H new ATOM 0 HA ASP A 95 8.064 17.895 -2.031 1.00 4.05 H new ATOM 0 HB2 ASP A 95 5.457 17.852 -2.376 1.00 33.12 H new ATOM 0 HB3 ASP A 95 5.802 18.691 -3.875 1.00 33.12 H new ATOM 1392 N HIS A 96 8.853 18.619 -4.463 1.00 52.22 N ATOM 1393 CA HIS A 96 9.670 19.184 -5.531 1.00 41.24 C ATOM 1394 C HIS A 96 10.084 18.105 -6.527 1.00 25.11 C ATOM 1395 O HIS A 96 10.121 16.920 -6.194 1.00 42.13 O ATOM 1396 CB HIS A 96 10.911 19.860 -4.948 1.00 50.41 C ATOM 1397 CG HIS A 96 11.697 18.979 -4.027 1.00 40.34 C ATOM 1398 ND1 HIS A 96 11.391 18.824 -2.691 1.00 52.23 N ATOM 1399 CD2 HIS A 96 12.781 18.201 -4.256 1.00 33.53 C ATOM 1400 CE1 HIS A 96 12.254 17.990 -2.138 1.00 51.14 C ATOM 1401 NE2 HIS A 96 13.108 17.597 -3.067 1.00 22.21 N ATOM 0 H HIS A 96 8.773 17.602 -4.486 1.00 52.22 H new ATOM 0 HA HIS A 96 9.073 19.929 -6.057 1.00 41.24 H new ATOM 0 HB2 HIS A 96 11.556 20.184 -5.765 1.00 50.41 H new ATOM 0 HB3 HIS A 96 10.606 20.756 -4.408 1.00 50.41 H new ATOM 0 HD2 HIS A 96 13.293 18.078 -5.199 1.00 33.53 H new ATOM 0 HE1 HIS A 96 12.260 17.682 -1.103 1.00 51.14 H new ATOM 0 HE2 HIS A 96 13.884 16.950 -2.924 1.00 22.21 H new ATOM 1408 N HIS A 97 10.396 18.522 -7.750 1.00 31.54 N ATOM 1409 CA HIS A 97 10.807 17.592 -8.795 1.00 60.25 C ATOM 1410 C HIS A 97 11.215 18.341 -10.060 1.00 51.35 C ATOM 1411 O HIS A 97 10.503 18.347 -11.063 1.00 13.30 O ATOM 1412 CB HIS A 97 9.675 16.613 -9.110 1.00 63.23 C ATOM 1413 CG HIS A 97 10.152 15.302 -9.655 1.00 45.14 C ATOM 1414 ND1 HIS A 97 9.773 14.818 -10.889 1.00 35.33 N ATOM 1415 CD2 HIS A 97 10.985 14.374 -9.129 1.00 75.53 C ATOM 1416 CE1 HIS A 97 10.349 13.648 -11.096 1.00 14.54 C ATOM 1417 NE2 HIS A 97 11.089 13.355 -10.044 1.00 64.43 N ATOM 0 H HIS A 97 10.372 19.499 -8.042 1.00 31.54 H new ATOM 0 HA HIS A 97 11.669 17.034 -8.431 1.00 60.25 H new ATOM 0 HB2 HIS A 97 9.099 16.432 -8.202 1.00 63.23 H new ATOM 0 HB3 HIS A 97 8.998 17.072 -9.831 1.00 63.23 H new ATOM 0 HD2 HIS A 97 11.476 14.425 -8.169 1.00 75.53 H new ATOM 0 HE1 HIS A 97 10.234 13.035 -11.977 1.00 14.54 H new ATOM 0 HE2 HIS A 97 11.648 12.509 -9.929 1.00 64.43 H new ATOM 1424 N PRO A 98 12.389 18.989 -10.012 1.00 14.24 N ATOM 1425 CA PRO A 98 12.917 19.753 -11.146 1.00 75.14 C ATOM 1426 C PRO A 98 13.348 18.854 -12.300 1.00 62.03 C ATOM 1427 O PRO A 98 13.189 17.636 -12.245 1.00 75.45 O ATOM 1428 CB PRO A 98 14.127 20.478 -10.552 1.00 43.44 C ATOM 1429 CG PRO A 98 14.550 19.629 -9.402 1.00 23.10 C ATOM 1430 CD PRO A 98 13.290 19.024 -8.848 1.00 52.10 C ATOM 0 HA PRO A 98 12.169 20.422 -11.571 1.00 75.14 H new ATOM 0 HB2 PRO A 98 14.927 20.579 -11.285 1.00 43.44 H new ATOM 0 HB3 PRO A 98 13.865 21.484 -10.226 1.00 43.44 H new ATOM 0 HG2 PRO A 98 15.246 18.854 -9.724 1.00 23.10 H new ATOM 0 HG3 PRO A 98 15.063 20.224 -8.646 1.00 23.10 H new ATOM 0 HD2 PRO A 98 13.466 18.026 -8.446 1.00 52.10 H new ATOM 0 HD3 PRO A 98 12.877 19.626 -8.038 1.00 52.10 H new ATOM 1435 N GLY A 99 13.896 19.464 -13.347 1.00 30.12 N ATOM 1436 CA GLY A 99 14.342 18.704 -14.499 1.00 12.52 C ATOM 1437 C GLY A 99 14.694 19.589 -15.678 1.00 22.01 C ATOM 1438 O GLY A 99 15.608 20.410 -15.595 1.00 61.32 O ATOM 0 H GLY A 99 14.039 20.472 -13.417 1.00 30.12 H new ATOM 0 HA2 GLY A 99 15.213 18.109 -14.223 1.00 12.52 H new ATOM 0 HA3 GLY A 99 13.559 18.005 -14.794 1.00 12.52 H new ATOM 1442 N SER A 100 13.969 19.423 -16.779 1.00 1.32 N ATOM 1443 CA SER A 100 14.213 20.211 -17.981 1.00 50.41 C ATOM 1444 C SER A 100 15.606 19.933 -18.540 1.00 54.14 C ATOM 1445 O SER A 100 16.342 20.854 -18.889 1.00 70.41 O ATOM 1446 CB SER A 100 14.061 21.703 -17.680 1.00 74.42 C ATOM 1447 OG SER A 100 13.829 22.442 -18.866 1.00 24.40 O ATOM 0 H SER A 100 13.208 18.750 -16.864 1.00 1.32 H new ATOM 0 HA SER A 100 13.475 19.922 -18.729 1.00 50.41 H new ATOM 0 HB2 SER A 100 13.234 21.855 -16.986 1.00 74.42 H new ATOM 0 HB3 SER A 100 14.961 22.072 -17.189 1.00 74.42 H new ATOM 0 HG SER A 100 14.564 22.290 -19.495 1.00 24.40 H new ATOM 1452 N GLY A 101 15.959 18.653 -18.620 1.00 44.33 N ATOM 1453 CA GLY A 101 17.262 18.275 -19.136 1.00 53.14 C ATOM 1454 C GLY A 101 17.187 17.706 -20.539 1.00 41.24 C ATOM 1455 O GLY A 101 16.686 16.601 -20.741 1.00 11.41 O ATOM 0 H GLY A 101 15.367 17.872 -18.337 1.00 44.33 H new ATOM 0 HA2 GLY A 101 17.917 19.147 -19.135 1.00 53.14 H new ATOM 0 HA3 GLY A 101 17.712 17.538 -18.472 1.00 53.14 H new ATOM 1459 N ALA A 102 17.686 18.463 -21.510 1.00 14.02 N ATOM 1460 CA ALA A 102 17.674 18.028 -22.901 1.00 40.12 C ATOM 1461 C ALA A 102 18.496 18.966 -23.778 1.00 61.32 C ATOM 1462 O ALA A 102 18.991 19.992 -23.310 1.00 14.45 O ATOM 1463 CB ALA A 102 16.244 17.941 -23.414 1.00 0.44 C ATOM 0 H ALA A 102 18.104 19.381 -21.359 1.00 14.02 H new ATOM 0 HA ALA A 102 18.128 17.038 -22.950 1.00 40.12 H new ATOM 0 HB1 ALA A 102 16.250 17.615 -24.454 1.00 0.44 H new ATOM 0 HB2 ALA A 102 15.685 17.225 -22.812 1.00 0.44 H new ATOM 0 HB3 ALA A 102 15.772 18.921 -23.344 1.00 0.44 H new ATOM 1469 N GLN A 103 18.639 18.608 -25.049 1.00 2.13 N ATOM 1470 CA GLN A 103 19.403 19.419 -25.990 1.00 42.53 C ATOM 1471 C GLN A 103 18.523 20.489 -26.627 1.00 13.23 C ATOM 1472 O GLN A 103 17.295 20.407 -26.580 1.00 41.25 O ATOM 1473 CB GLN A 103 20.018 18.534 -27.077 1.00 33.41 C ATOM 1474 CG GLN A 103 20.791 19.312 -28.129 1.00 14.45 C ATOM 1475 CD GLN A 103 21.627 18.415 -29.020 1.00 10.54 C ATOM 1476 OE1 GLN A 103 21.663 17.198 -28.838 1.00 72.24 O ATOM 1477 NE2 GLN A 103 22.305 19.012 -29.994 1.00 74.42 N ATOM 0 H GLN A 103 18.236 17.762 -25.452 1.00 2.13 H new ATOM 0 HA GLN A 103 20.202 19.914 -25.438 1.00 42.53 H new ATOM 0 HB2 GLN A 103 20.685 17.809 -26.610 1.00 33.41 H new ATOM 0 HB3 GLN A 103 19.225 17.968 -27.565 1.00 33.41 H new ATOM 0 HG2 GLN A 103 20.091 19.878 -28.744 1.00 14.45 H new ATOM 0 HG3 GLN A 103 21.440 20.036 -27.636 1.00 14.45 H new ATOM 0 HE21 GLN A 103 22.247 20.024 -30.110 1.00 74.42 H new ATOM 0 HE22 GLN A 103 22.883 18.459 -30.626 1.00 74.42 H new TER 1484 GLN A 103