USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 785 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 96 THR OG1 : rot 171:sc= 0.913 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 64 THR OG1 : rot 78:sc= 0.764 USER MOD Set 2.2: A 98 GLN : amide:sc= -0.014 K(o=0.75,f=-0.29) USER MOD Set 3.1: A 2 ASN : amide:sc= -0.529 K(o=-3.3,f=-1.2) USER MOD Set 3.2: A 58 HIS : no HE2:sc= -2.74 K(o=-3.3,f=-0.55) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0713 K(o=-0.071,f=-0.87) USER MOD Single : A 16 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 28 SER OG : rot 161:sc= 1.09 USER MOD Single : A 32 CYS SG : rot 18:sc= 0.0275 USER MOD Single : A 35 ASN : amide:sc=-0.00958 X(o=-0.0096,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -14:sc= 0.241 USER MOD Single : A 45 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.31) USER MOD Single : A 47 SER OG : rot 177:sc= 0.747 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.25 K(o=-1.2,f=0.0073) USER MOD Single : A 54 GLN : amide:sc= -0.405 K(o=-0.4,f=-2.5) USER MOD Single : A 59 GLN : amide:sc=-0.00772 K(o=-0.0077,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc=-0.00412 (180deg=-0.125) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.52 K(o=-1.5,f=0.27) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -120:sc= -0.249 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.6!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 6.163 -19.225 -10.612 1.00 1.00 N ATOM 18 CA ASN A 2 4.984 -18.754 -9.952 1.00 1.00 C ATOM 19 C ASN A 2 5.333 -17.735 -8.922 1.00 1.00 C ATOM 20 O ASN A 2 5.122 -16.539 -9.113 1.00 1.00 O ATOM 21 CB ASN A 2 4.223 -19.923 -9.304 1.00 1.00 C ATOM 22 CG ASN A 2 3.646 -20.776 -10.423 1.00 1.00 C ATOM 23 OD1 ASN A 2 2.933 -20.299 -11.305 1.00 1.00 O ATOM 24 ND2 ASN A 2 3.959 -22.100 -10.415 1.00 1.00 N ATOM 0 HA ASN A 2 4.339 -18.290 -10.698 1.00 1.00 H new ATOM 0 HB2 ASN A 2 4.891 -20.514 -8.678 1.00 1.00 H new ATOM 0 HB3 ASN A 2 3.428 -19.551 -8.658 1.00 1.00 H new ATOM 0 HD21 ASN A 2 3.601 -22.713 -11.148 1.00 1.00 H new ATOM 0 HD22 ASN A 2 4.551 -22.480 -9.676 1.00 1.00 H new ATOM 31 N ASP A 3 5.941 -18.172 -7.805 1.00 1.00 N ATOM 32 CA ASP A 3 6.523 -17.366 -6.777 1.00 1.00 C ATOM 33 C ASP A 3 7.560 -16.460 -7.345 1.00 1.00 C ATOM 34 O ASP A 3 7.567 -15.256 -7.092 1.00 1.00 O ATOM 35 CB ASP A 3 7.208 -18.230 -5.704 1.00 1.00 C ATOM 36 CG ASP A 3 6.265 -19.192 -4.996 1.00 1.00 C ATOM 37 OD1 ASP A 3 5.607 -20.023 -5.677 1.00 1.00 O ATOM 38 OD2 ASP A 3 6.269 -19.189 -3.736 1.00 1.00 O ATOM 0 H ASP A 3 6.032 -19.168 -7.606 1.00 1.00 H new ATOM 0 HA ASP A 3 5.710 -16.794 -6.331 1.00 1.00 H new ATOM 0 HB2 ASP A 3 8.012 -18.800 -6.169 1.00 1.00 H new ATOM 0 HB3 ASP A 3 7.668 -17.576 -4.963 1.00 1.00 H new ATOM 43 N SER A 4 8.443 -16.998 -8.204 1.00 1.00 N ATOM 44 CA SER A 4 9.462 -16.276 -8.902 1.00 1.00 C ATOM 45 C SER A 4 8.960 -15.195 -9.797 1.00 1.00 C ATOM 46 O SER A 4 9.523 -14.101 -9.829 1.00 1.00 O ATOM 47 CB SER A 4 10.356 -17.200 -9.747 1.00 1.00 C ATOM 48 OG SER A 4 10.974 -18.161 -8.904 1.00 1.00 O ATOM 0 H SER A 4 8.446 -17.994 -8.424 1.00 1.00 H new ATOM 0 HA SER A 4 10.032 -15.813 -8.096 1.00 1.00 H new ATOM 0 HB2 SER A 4 9.761 -17.700 -10.511 1.00 1.00 H new ATOM 0 HB3 SER A 4 11.115 -16.614 -10.266 1.00 1.00 H new ATOM 0 HG SER A 4 11.542 -18.751 -9.442 1.00 1.00 H new ATOM 54 N GLU A 5 7.860 -15.437 -10.530 1.00 1.00 N ATOM 55 CA GLU A 5 7.213 -14.465 -11.354 1.00 1.00 C ATOM 56 C GLU A 5 6.686 -13.322 -10.557 1.00 1.00 C ATOM 57 O GLU A 5 7.097 -12.182 -10.766 1.00 1.00 O ATOM 58 CB GLU A 5 6.108 -15.079 -12.230 1.00 1.00 C ATOM 59 CG GLU A 5 5.329 -14.067 -13.074 1.00 1.00 C ATOM 60 CD GLU A 5 4.496 -14.708 -14.174 1.00 1.00 C ATOM 61 OE1 GLU A 5 5.075 -15.041 -15.242 1.00 1.00 O ATOM 62 OE2 GLU A 5 3.258 -14.871 -14.006 1.00 1.00 O ATOM 0 H GLU A 5 7.402 -16.348 -10.549 1.00 1.00 H new ATOM 0 HA GLU A 5 7.980 -14.079 -12.025 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.557 -15.817 -12.894 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.407 -15.613 -11.588 1.00 1.00 H new ATOM 0 HG2 GLU A 5 4.673 -13.490 -12.422 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.030 -13.364 -13.523 1.00 1.00 H new ATOM 69 N PHE A 6 5.814 -13.569 -9.563 1.00 1.00 N ATOM 70 CA PHE A 6 5.298 -12.517 -8.745 1.00 1.00 C ATOM 71 C PHE A 6 6.290 -11.851 -7.855 1.00 1.00 C ATOM 72 O PHE A 6 6.127 -10.672 -7.545 1.00 1.00 O ATOM 73 CB PHE A 6 4.046 -12.958 -7.970 1.00 1.00 C ATOM 74 CG PHE A 6 2.834 -12.466 -8.685 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.543 -12.886 -9.961 1.00 1.00 C ATOM 76 CD2 PHE A 6 2.046 -11.499 -8.105 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.505 -12.326 -10.667 1.00 1.00 C ATOM 78 CE2 PHE A 6 1.001 -10.939 -8.801 1.00 1.00 C ATOM 79 CZ PHE A 6 0.732 -11.349 -10.085 1.00 1.00 C ATOM 0 H PHE A 6 5.466 -14.498 -9.326 1.00 1.00 H new ATOM 0 HA PHE A 6 5.012 -11.742 -9.457 1.00 1.00 H new ATOM 0 HB2 PHE A 6 4.018 -14.044 -7.886 1.00 1.00 H new ATOM 0 HB3 PHE A 6 4.072 -12.560 -6.955 1.00 1.00 H new ATOM 0 HD1 PHE A 6 3.137 -13.666 -10.414 1.00 1.00 H new ATOM 0 HD2 PHE A 6 2.250 -11.177 -7.094 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.297 -12.652 -11.675 1.00 1.00 H new ATOM 0 HE2 PHE A 6 0.391 -10.177 -8.339 1.00 1.00 H new ATOM 0 HZ PHE A 6 -0.084 -10.905 -10.635 1.00 1.00 H new ATOM 89 N HIS A 7 7.402 -12.496 -7.461 1.00 1.00 N ATOM 90 CA HIS A 7 8.521 -11.875 -6.822 1.00 1.00 C ATOM 91 C HIS A 7 9.189 -10.855 -7.680 1.00 1.00 C ATOM 92 O HIS A 7 9.529 -9.765 -7.226 1.00 1.00 O ATOM 93 CB HIS A 7 9.499 -12.977 -6.383 1.00 1.00 C ATOM 94 CG HIS A 7 10.963 -12.670 -6.272 1.00 1.00 C ATOM 95 ND1 HIS A 7 11.559 -12.037 -5.213 1.00 1.00 N ATOM 96 CD2 HIS A 7 11.960 -13.050 -7.115 1.00 1.00 C ATOM 97 CE1 HIS A 7 12.864 -12.019 -5.409 1.00 1.00 C ATOM 98 NE2 HIS A 7 13.135 -12.638 -6.543 1.00 1.00 N ATOM 0 H HIS A 7 7.527 -13.499 -7.594 1.00 1.00 H new ATOM 0 HA HIS A 7 8.164 -11.324 -5.952 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.167 -13.338 -5.409 1.00 1.00 H new ATOM 0 HB3 HIS A 7 9.392 -13.805 -7.083 1.00 1.00 H new ATOM 0 HD2 HIS A 7 11.848 -13.574 -8.053 1.00 1.00 H new ATOM 0 HE1 HIS A 7 13.592 -11.571 -4.749 1.00 1.00 H new ATOM 0 HE2 HIS A 7 14.067 -12.786 -6.930 1.00 1.00 H new ATOM 106 N ARG A 8 9.397 -11.146 -8.976 1.00 1.00 N ATOM 107 CA ARG A 8 9.990 -10.223 -9.893 1.00 1.00 C ATOM 108 C ARG A 8 9.083 -9.112 -10.294 1.00 1.00 C ATOM 109 O ARG A 8 9.457 -7.940 -10.279 1.00 1.00 O ATOM 110 CB ARG A 8 10.502 -10.962 -11.141 1.00 1.00 C ATOM 111 CG ARG A 8 11.626 -10.242 -11.889 1.00 1.00 C ATOM 112 CD ARG A 8 13.038 -10.785 -11.653 1.00 1.00 C ATOM 113 NE ARG A 8 13.422 -10.585 -10.229 1.00 1.00 N ATOM 114 CZ ARG A 8 14.699 -10.717 -9.761 1.00 1.00 C ATOM 115 NH1 ARG A 8 15.749 -11.071 -10.558 1.00 1.00 N ATOM 116 NH2 ARG A 8 14.940 -10.468 -8.441 1.00 1.00 N ATOM 0 H ARG A 8 9.148 -12.042 -9.396 1.00 1.00 H new ATOM 0 HA ARG A 8 10.824 -9.764 -9.362 1.00 1.00 H new ATOM 0 HB2 ARG A 8 10.855 -11.949 -10.844 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.667 -11.115 -11.825 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.413 -10.288 -12.957 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.610 -9.190 -11.605 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.077 -11.845 -11.905 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.747 -10.276 -12.306 1.00 1.00 H new ATOM 0 HE ARG A 8 12.690 -10.335 -9.564 1.00 1.00 H new ATOM 0 HH11 ARG A 8 15.598 -11.250 -11.551 1.00 1.00 H new ATOM 0 HH12 ARG A 8 16.685 -11.156 -10.161 1.00 1.00 H new ATOM 0 HH21 ARG A 8 14.175 -10.190 -7.826 1.00 1.00 H new ATOM 0 HH22 ARG A 8 15.885 -10.560 -8.069 1.00 1.00 H new ATOM 130 N LEU A 9 7.820 -9.434 -10.626 1.00 1.00 N ATOM 131 CA LEU A 9 6.788 -8.485 -10.903 1.00 1.00 C ATOM 132 C LEU A 9 6.513 -7.579 -9.752 1.00 1.00 C ATOM 133 O LEU A 9 6.435 -6.364 -9.930 1.00 1.00 O ATOM 134 CB LEU A 9 5.483 -9.177 -11.330 1.00 1.00 C ATOM 135 CG LEU A 9 5.521 -9.896 -12.688 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.162 -10.567 -12.958 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.878 -8.956 -13.851 1.00 1.00 C ATOM 0 H LEU A 9 7.504 -10.401 -10.705 1.00 1.00 H new ATOM 0 HA LEU A 9 7.161 -7.878 -11.728 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.211 -9.903 -10.563 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.690 -8.430 -11.358 1.00 1.00 H new ATOM 0 HG LEU A 9 6.309 -10.647 -12.632 1.00 1.00 H new ATOM 0 HD11 LEU A 9 4.192 -11.076 -13.922 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.951 -11.292 -12.171 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.379 -9.809 -12.972 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.890 -9.520 -14.784 1.00 1.00 H new ATOM 0 HD22 LEU A 9 5.136 -8.160 -13.917 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.862 -8.521 -13.678 1.00 1.00 H new ATOM 149 N ALA A 10 6.413 -8.096 -8.515 1.00 1.00 N ATOM 150 CA ALA A 10 6.296 -7.296 -7.336 1.00 1.00 C ATOM 151 C ALA A 10 7.433 -6.353 -7.145 1.00 1.00 C ATOM 152 O ALA A 10 7.176 -5.201 -6.800 1.00 1.00 O ATOM 153 CB ALA A 10 6.121 -8.132 -6.057 1.00 1.00 C ATOM 0 H ALA A 10 6.414 -9.099 -8.329 1.00 1.00 H new ATOM 0 HA ALA A 10 5.390 -6.714 -7.503 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.038 -7.468 -5.197 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.217 -8.736 -6.138 1.00 1.00 H new ATOM 0 HB3 ALA A 10 6.984 -8.786 -5.929 1.00 1.00 H new ATOM 159 N ASP A 11 8.693 -6.747 -7.408 1.00 1.00 N ATOM 160 CA ASP A 11 9.821 -5.867 -7.404 1.00 1.00 C ATOM 161 C ASP A 11 9.710 -4.730 -8.360 1.00 1.00 C ATOM 162 O ASP A 11 10.081 -3.599 -8.055 1.00 1.00 O ATOM 163 CB ASP A 11 11.108 -6.666 -7.668 1.00 1.00 C ATOM 164 CG ASP A 11 12.239 -6.327 -6.706 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.519 -5.123 -6.464 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.869 -7.275 -6.166 1.00 1.00 O ATOM 0 H ASP A 11 8.935 -7.713 -7.631 1.00 1.00 H new ATOM 0 HA ASP A 11 9.853 -5.416 -6.412 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.887 -7.731 -7.596 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.441 -6.478 -8.689 1.00 1.00 H new ATOM 171 N GLN A 12 9.152 -4.953 -9.563 1.00 1.00 N ATOM 172 CA GLN A 12 8.834 -3.918 -10.497 1.00 1.00 C ATOM 173 C GLN A 12 7.813 -2.939 -10.028 1.00 1.00 C ATOM 174 O GLN A 12 8.037 -1.733 -10.119 1.00 1.00 O ATOM 175 CB GLN A 12 8.436 -4.476 -11.873 1.00 1.00 C ATOM 176 CG GLN A 12 9.607 -5.046 -12.677 1.00 1.00 C ATOM 177 CD GLN A 12 10.568 -3.957 -13.130 1.00 1.00 C ATOM 178 OE1 GLN A 12 10.271 -2.762 -13.131 1.00 1.00 O ATOM 179 NE2 GLN A 12 11.799 -4.369 -13.540 1.00 1.00 N ATOM 0 H GLN A 12 8.914 -5.887 -9.897 1.00 1.00 H new ATOM 0 HA GLN A 12 9.767 -3.362 -10.591 1.00 1.00 H new ATOM 0 HB2 GLN A 12 7.689 -5.258 -11.734 1.00 1.00 H new ATOM 0 HB3 GLN A 12 7.963 -3.683 -12.452 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.144 -5.774 -12.069 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.224 -5.578 -13.548 1.00 1.00 H new ATOM 0 HE21 GLN A 12 12.033 -5.362 -13.534 1.00 1.00 H new ATOM 0 HE22 GLN A 12 12.488 -3.685 -13.853 1.00 1.00 H new ATOM 188 N LEU A 13 6.669 -3.376 -9.474 1.00 1.00 N ATOM 189 CA LEU A 13 5.674 -2.540 -8.876 1.00 1.00 C ATOM 190 C LEU A 13 6.201 -1.765 -7.719 1.00 1.00 C ATOM 191 O LEU A 13 6.067 -0.545 -7.649 1.00 1.00 O ATOM 192 CB LEU A 13 4.519 -3.402 -8.340 1.00 1.00 C ATOM 193 CG LEU A 13 3.832 -4.329 -9.356 1.00 1.00 C ATOM 194 CD1 LEU A 13 2.731 -5.154 -8.666 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.261 -3.586 -10.574 1.00 1.00 C ATOM 0 H LEU A 13 6.425 -4.366 -9.441 1.00 1.00 H new ATOM 0 HA LEU A 13 5.345 -1.852 -9.655 1.00 1.00 H new ATOM 0 HB2 LEU A 13 4.900 -4.013 -7.522 1.00 1.00 H new ATOM 0 HB3 LEU A 13 3.764 -2.738 -7.918 1.00 1.00 H new ATOM 0 HG LEU A 13 4.606 -4.994 -9.739 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.253 -5.806 -9.397 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.172 -5.759 -7.874 1.00 1.00 H new ATOM 0 HD13 LEU A 13 1.987 -4.482 -8.238 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.791 -4.301 -11.249 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.520 -2.859 -10.242 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.067 -3.070 -11.096 1.00 1.00 H new ATOM 207 N TRP A 14 6.868 -2.486 -6.800 1.00 1.00 N ATOM 208 CA TRP A 14 7.522 -2.007 -5.622 1.00 1.00 C ATOM 209 C TRP A 14 8.363 -0.811 -5.904 1.00 1.00 C ATOM 210 O TRP A 14 8.072 0.284 -5.424 1.00 1.00 O ATOM 211 CB TRP A 14 8.391 -3.090 -4.958 1.00 1.00 C ATOM 212 CG TRP A 14 7.830 -3.853 -3.784 1.00 1.00 C ATOM 213 CD1 TRP A 14 8.556 -4.184 -2.676 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.475 -4.255 -3.502 1.00 1.00 C ATOM 215 NE1 TRP A 14 7.743 -4.706 -1.704 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.455 -4.725 -2.184 1.00 1.00 C ATOM 217 CE3 TRP A 14 5.322 -4.206 -4.236 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.284 -5.108 -1.589 1.00 1.00 C ATOM 219 CZ3 TRP A 14 4.150 -4.598 -3.634 1.00 1.00 C ATOM 220 CH2 TRP A 14 4.128 -5.026 -2.328 1.00 1.00 C ATOM 0 H TRP A 14 6.956 -3.498 -6.892 1.00 1.00 H new ATOM 0 HA TRP A 14 6.725 -1.728 -4.932 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.658 -3.816 -5.726 1.00 1.00 H new ATOM 0 HB3 TRP A 14 9.317 -2.616 -4.632 1.00 1.00 H new ATOM 0 HD1 TRP A 14 9.624 -4.053 -2.579 1.00 1.00 H new ATOM 0 HE1 TRP A 14 8.042 -5.026 -0.783 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.332 -3.868 -5.262 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.268 -5.464 -0.569 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.229 -4.569 -4.198 1.00 1.00 H new ATOM 0 HH2 TRP A 14 3.187 -5.302 -1.875 1.00 1.00 H new ATOM 231 N LEU A 15 9.379 -0.977 -6.769 1.00 1.00 N ATOM 232 CA LEU A 15 10.226 0.070 -7.252 1.00 1.00 C ATOM 233 C LEU A 15 9.473 1.210 -7.848 1.00 1.00 C ATOM 234 O LEU A 15 9.559 2.345 -7.383 1.00 1.00 O ATOM 235 CB LEU A 15 11.200 -0.523 -8.282 1.00 1.00 C ATOM 236 CG LEU A 15 12.256 0.438 -8.853 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.196 0.984 -7.764 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.076 -0.267 -9.947 1.00 1.00 C ATOM 0 H LEU A 15 9.623 -1.890 -7.152 1.00 1.00 H new ATOM 0 HA LEU A 15 10.766 0.481 -6.399 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.717 -1.364 -7.819 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.618 -0.924 -9.112 1.00 1.00 H new ATOM 0 HG LEU A 15 11.723 1.287 -9.282 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.924 1.658 -8.216 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.614 1.526 -7.019 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.717 0.156 -7.284 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.821 0.422 -10.345 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.577 -1.137 -9.522 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.412 -0.587 -10.750 1.00 1.00 H new ATOM 250 N THR A 16 8.652 0.952 -8.883 1.00 1.00 N ATOM 251 CA THR A 16 8.017 1.947 -9.689 1.00 1.00 C ATOM 252 C THR A 16 7.097 2.860 -8.955 1.00 1.00 C ATOM 253 O THR A 16 7.124 4.073 -9.151 1.00 1.00 O ATOM 254 CB THR A 16 7.297 1.348 -10.861 1.00 1.00 C ATOM 255 OG1 THR A 16 8.173 0.499 -11.587 1.00 1.00 O ATOM 256 CG2 THR A 16 6.824 2.418 -11.859 1.00 1.00 C ATOM 0 H THR A 16 8.420 0.001 -9.171 1.00 1.00 H new ATOM 0 HA THR A 16 8.847 2.560 -10.039 1.00 1.00 H new ATOM 0 HB THR A 16 6.443 0.810 -10.451 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.099 -0.417 -11.245 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.308 1.937 -12.690 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.143 3.106 -11.359 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.685 2.970 -12.236 1.00 1.00 H new ATOM 264 N ILE A 17 6.243 2.338 -8.057 1.00 1.00 N ATOM 265 CA ILE A 17 5.303 3.144 -7.340 1.00 1.00 C ATOM 266 C ILE A 17 5.929 3.776 -6.145 1.00 1.00 C ATOM 267 O ILE A 17 5.550 4.883 -5.761 1.00 1.00 O ATOM 268 CB ILE A 17 4.001 2.456 -7.057 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.565 1.678 -8.309 1.00 1.00 C ATOM 270 CG2 ILE A 17 2.943 3.518 -6.709 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.215 0.969 -8.199 1.00 1.00 C ATOM 0 H ILE A 17 6.204 1.345 -7.825 1.00 1.00 H new ATOM 0 HA ILE A 17 5.019 3.958 -8.007 1.00 1.00 H new ATOM 0 HB ILE A 17 4.112 1.765 -6.221 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.527 2.369 -9.151 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.329 0.936 -8.540 1.00 1.00 H new ATOM 0 HG21 ILE A 17 1.991 3.029 -6.501 1.00 1.00 H new ATOM 0 HG22 ILE A 17 3.264 4.077 -5.830 1.00 1.00 H new ATOM 0 HG23 ILE A 17 2.824 4.202 -7.549 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.999 0.450 -9.133 1.00 1.00 H new ATOM 0 HD12 ILE A 17 2.248 0.248 -7.382 1.00 1.00 H new ATOM 0 HD13 ILE A 17 1.433 1.703 -8.003 1.00 1.00 H new ATOM 283 N GLU A 18 6.968 3.176 -5.537 1.00 1.00 N ATOM 284 CA GLU A 18 7.780 3.829 -4.556 1.00 1.00 C ATOM 285 C GLU A 18 8.421 5.050 -5.122 1.00 1.00 C ATOM 286 O GLU A 18 8.292 6.140 -4.565 1.00 1.00 O ATOM 287 CB GLU A 18 8.893 2.927 -3.996 1.00 1.00 C ATOM 288 CG GLU A 18 9.699 3.505 -2.832 1.00 1.00 C ATOM 289 CD GLU A 18 11.164 3.094 -2.849 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.495 1.884 -2.734 1.00 1.00 O ATOM 291 OE2 GLU A 18 12.027 4.007 -2.951 1.00 1.00 O ATOM 0 H GLU A 18 7.251 2.215 -5.731 1.00 1.00 H new ATOM 0 HA GLU A 18 7.101 4.088 -3.744 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.444 1.988 -3.671 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.582 2.687 -4.806 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.634 4.593 -2.859 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.250 3.182 -1.893 1.00 1.00 H new ATOM 298 N GLU A 19 9.069 4.916 -6.292 1.00 1.00 N ATOM 299 CA GLU A 19 9.616 5.975 -7.081 1.00 1.00 C ATOM 300 C GLU A 19 8.660 7.078 -7.378 1.00 1.00 C ATOM 301 O GLU A 19 8.974 8.237 -7.108 1.00 1.00 O ATOM 302 CB GLU A 19 10.227 5.483 -8.404 1.00 1.00 C ATOM 303 CG GLU A 19 11.535 4.704 -8.249 1.00 1.00 C ATOM 304 CD GLU A 19 12.164 4.325 -9.582 1.00 1.00 C ATOM 305 OE1 GLU A 19 11.540 3.643 -10.438 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.322 4.763 -9.817 1.00 1.00 O ATOM 0 H GLU A 19 9.221 4.001 -6.716 1.00 1.00 H new ATOM 0 HA GLU A 19 10.404 6.377 -6.444 1.00 1.00 H new ATOM 0 HB2 GLU A 19 9.500 4.849 -8.912 1.00 1.00 H new ATOM 0 HB3 GLU A 19 10.406 6.343 -9.049 1.00 1.00 H new ATOM 0 HG2 GLU A 19 12.243 5.304 -7.677 1.00 1.00 H new ATOM 0 HG3 GLU A 19 11.346 3.799 -7.672 1.00 1.00 H new ATOM 313 N ARG A 20 7.460 6.810 -7.923 1.00 1.00 N ATOM 314 CA ARG A 20 6.534 7.845 -8.262 1.00 1.00 C ATOM 315 C ARG A 20 6.025 8.634 -7.104 1.00 1.00 C ATOM 316 O ARG A 20 6.002 9.862 -7.150 1.00 1.00 O ATOM 317 CB ARG A 20 5.350 7.369 -9.122 1.00 1.00 C ATOM 318 CG ARG A 20 4.884 8.403 -10.149 1.00 1.00 C ATOM 319 CD ARG A 20 5.904 8.853 -11.197 1.00 1.00 C ATOM 320 NE ARG A 20 6.443 7.615 -11.827 1.00 1.00 N ATOM 321 CZ ARG A 20 7.758 7.249 -11.821 1.00 1.00 C ATOM 322 NH1 ARG A 20 8.780 8.110 -11.536 1.00 1.00 N ATOM 323 NH2 ARG A 20 8.054 5.942 -12.078 1.00 1.00 N ATOM 0 H ARG A 20 7.129 5.868 -8.130 1.00 1.00 H new ATOM 0 HA ARG A 20 7.148 8.513 -8.865 1.00 1.00 H new ATOM 0 HB2 ARG A 20 5.634 6.455 -9.643 1.00 1.00 H new ATOM 0 HB3 ARG A 20 4.515 7.117 -8.468 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.019 7.994 -10.672 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.542 9.286 -9.609 1.00 1.00 H new ATOM 0 HD2 ARG A 20 5.435 9.495 -11.943 1.00 1.00 H new ATOM 0 HD3 ARG A 20 6.704 9.432 -10.735 1.00 1.00 H new ATOM 0 HE ARG A 20 5.782 6.996 -12.297 1.00 1.00 H new ATOM 0 HH11 ARG A 20 8.578 9.085 -11.312 1.00 1.00 H new ATOM 0 HH12 ARG A 20 9.744 7.778 -11.547 1.00 1.00 H new ATOM 0 HH21 ARG A 20 7.304 5.277 -12.266 1.00 1.00 H new ATOM 0 HH22 ARG A 20 9.025 5.630 -12.082 1.00 1.00 H new ATOM 337 N LEU A 21 5.635 7.957 -6.007 1.00 1.00 N ATOM 338 CA LEU A 21 5.238 8.573 -4.779 1.00 1.00 C ATOM 339 C LEU A 21 6.299 9.349 -4.079 1.00 1.00 C ATOM 340 O LEU A 21 6.084 10.500 -3.707 1.00 1.00 O ATOM 341 CB LEU A 21 4.630 7.527 -3.829 1.00 1.00 C ATOM 342 CG LEU A 21 3.325 6.915 -4.364 1.00 1.00 C ATOM 343 CD1 LEU A 21 2.798 5.803 -3.442 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.220 7.971 -4.534 1.00 1.00 C ATOM 0 H LEU A 21 5.595 6.938 -5.976 1.00 1.00 H new ATOM 0 HA LEU A 21 4.491 9.313 -5.066 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.356 6.731 -3.661 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.437 7.991 -2.862 1.00 1.00 H new ATOM 0 HG LEU A 21 3.572 6.494 -5.339 1.00 1.00 H new ATOM 0 HD11 LEU A 21 1.875 5.396 -3.854 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.542 5.010 -3.366 1.00 1.00 H new ATOM 0 HD13 LEU A 21 2.603 6.214 -2.451 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.316 7.494 -4.914 1.00 1.00 H new ATOM 0 HD22 LEU A 21 2.008 8.434 -3.570 1.00 1.00 H new ATOM 0 HD23 LEU A 21 2.551 8.734 -5.238 1.00 1.00 H new ATOM 356 N ASP A 22 7.511 8.802 -3.875 1.00 1.00 N ATOM 357 CA ASP A 22 8.621 9.510 -3.319 1.00 1.00 C ATOM 358 C ASP A 22 9.023 10.725 -4.081 1.00 1.00 C ATOM 359 O ASP A 22 9.361 11.761 -3.512 1.00 1.00 O ATOM 360 CB ASP A 22 9.772 8.499 -3.174 1.00 1.00 C ATOM 361 CG ASP A 22 10.835 8.860 -2.145 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.706 9.901 -1.449 1.00 1.00 O ATOM 363 OD2 ASP A 22 11.811 8.074 -2.012 1.00 1.00 O ATOM 0 H ASP A 22 7.725 7.832 -4.106 1.00 1.00 H new ATOM 0 HA ASP A 22 8.331 9.915 -2.349 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.350 7.529 -2.910 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.255 8.383 -4.144 1.00 1.00 H new ATOM 368 N ASP A 23 8.960 10.677 -5.424 1.00 1.00 N ATOM 369 CA ASP A 23 9.251 11.760 -6.311 1.00 1.00 C ATOM 370 C ASP A 23 8.063 12.590 -6.661 1.00 1.00 C ATOM 371 O ASP A 23 7.993 13.195 -7.731 1.00 1.00 O ATOM 372 CB ASP A 23 9.898 11.161 -7.571 1.00 1.00 C ATOM 373 CG ASP A 23 10.688 12.171 -8.392 1.00 1.00 C ATOM 374 OD1 ASP A 23 11.597 12.827 -7.818 1.00 1.00 O ATOM 375 OD2 ASP A 23 10.430 12.311 -9.617 1.00 1.00 O ATOM 0 H ASP A 23 8.689 9.828 -5.920 1.00 1.00 H new ATOM 0 HA ASP A 23 9.927 12.449 -5.805 1.00 1.00 H new ATOM 0 HB2 ASP A 23 10.561 10.347 -7.277 1.00 1.00 H new ATOM 0 HB3 ASP A 23 9.119 10.727 -8.197 1.00 1.00 H new ATOM 380 N TRP A 24 7.050 12.681 -5.781 1.00 1.00 N ATOM 381 CA TRP A 24 5.885 13.490 -5.960 1.00 1.00 C ATOM 382 C TRP A 24 6.177 14.951 -5.975 1.00 1.00 C ATOM 383 O TRP A 24 6.012 15.594 -7.012 1.00 1.00 O ATOM 384 CB TRP A 24 4.832 13.115 -4.902 1.00 1.00 C ATOM 385 CG TRP A 24 3.511 13.844 -4.906 1.00 1.00 C ATOM 386 CD1 TRP A 24 2.897 14.555 -5.896 1.00 1.00 C ATOM 387 CD2 TRP A 24 2.658 13.948 -3.749 1.00 1.00 C ATOM 388 NE1 TRP A 24 1.746 15.129 -5.426 1.00 1.00 N ATOM 389 CE2 TRP A 24 1.581 14.768 -4.110 1.00 1.00 C ATOM 390 CE3 TRP A 24 2.755 13.425 -2.489 1.00 1.00 C ATOM 391 CZ2 TRP A 24 0.609 15.083 -3.199 1.00 1.00 C ATOM 392 CZ3 TRP A 24 1.761 13.731 -1.590 1.00 1.00 C ATOM 393 CH2 TRP A 24 0.710 14.546 -1.938 1.00 1.00 C ATOM 0 H TRP A 24 7.044 12.165 -4.901 1.00 1.00 H new ATOM 0 HA TRP A 24 5.482 13.279 -6.950 1.00 1.00 H new ATOM 0 HB2 TRP A 24 4.623 12.050 -5.007 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.285 13.256 -3.920 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.266 14.651 -6.906 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.116 15.725 -5.963 1.00 1.00 H new ATOM 0 HE3 TRP A 24 3.585 12.793 -2.210 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 -0.212 15.733 -3.463 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 1.807 13.323 -0.591 1.00 1.00 H new ATOM 0 HH2 TRP A 24 -0.052 14.769 -1.206 1.00 1.00 H new ATOM 404 N ASP A 25 6.616 15.523 -4.841 1.00 1.00 N ATOM 405 CA ASP A 25 7.085 16.863 -4.670 1.00 1.00 C ATOM 406 C ASP A 25 5.997 17.861 -4.471 1.00 1.00 C ATOM 407 O ASP A 25 4.806 17.616 -4.659 1.00 1.00 O ATOM 408 CB ASP A 25 8.125 17.269 -5.729 1.00 1.00 C ATOM 409 CG ASP A 25 9.024 18.454 -5.404 1.00 1.00 C ATOM 410 OD1 ASP A 25 9.213 18.787 -4.204 1.00 1.00 O ATOM 411 OD2 ASP A 25 9.527 19.093 -6.367 1.00 1.00 O ATOM 0 H ASP A 25 6.645 15.000 -3.966 1.00 1.00 H new ATOM 0 HA ASP A 25 7.623 16.868 -3.722 1.00 1.00 H new ATOM 0 HB2 ASP A 25 8.761 16.406 -5.925 1.00 1.00 H new ATOM 0 HB3 ASP A 25 7.595 17.491 -6.655 1.00 1.00 H new ATOM 416 N GLY A 26 6.394 19.077 -4.053 1.00 1.00 N ATOM 417 CA GLY A 26 5.525 20.196 -3.854 1.00 1.00 C ATOM 418 C GLY A 26 5.495 20.626 -2.428 1.00 1.00 C ATOM 419 O GLY A 26 6.520 20.780 -1.767 1.00 1.00 O ATOM 0 H GLY A 26 7.369 19.290 -3.844 1.00 1.00 H new ATOM 0 HA2 GLY A 26 5.854 21.027 -4.478 1.00 1.00 H new ATOM 0 HA3 GLY A 26 4.517 19.935 -4.176 1.00 1.00 H new ATOM 423 N ASP A 27 4.271 20.873 -1.927 1.00 1.00 N ATOM 424 CA ASP A 27 3.972 21.392 -0.630 1.00 1.00 C ATOM 425 C ASP A 27 4.029 20.318 0.403 1.00 1.00 C ATOM 426 O ASP A 27 4.324 20.563 1.572 1.00 1.00 O ATOM 427 CB ASP A 27 2.541 21.939 -0.754 1.00 1.00 C ATOM 428 CG ASP A 27 2.485 23.278 -1.474 1.00 1.00 C ATOM 429 OD1 ASP A 27 3.067 23.439 -2.580 1.00 1.00 O ATOM 430 OD2 ASP A 27 1.822 24.208 -0.938 1.00 1.00 O ATOM 0 H ASP A 27 3.428 20.695 -2.472 1.00 1.00 H new ATOM 0 HA ASP A 27 4.688 22.154 -0.320 1.00 1.00 H new ATOM 0 HB2 ASP A 27 1.925 21.217 -1.290 1.00 1.00 H new ATOM 0 HB3 ASP A 27 2.110 22.048 0.241 1.00 1.00 H new ATOM 435 N SER A 28 3.744 19.077 -0.029 1.00 1.00 N ATOM 436 CA SER A 28 3.578 17.900 0.769 1.00 1.00 C ATOM 437 C SER A 28 4.836 17.270 1.260 1.00 1.00 C ATOM 438 O SER A 28 5.949 17.625 0.879 1.00 1.00 O ATOM 439 CB SER A 28 2.771 16.846 -0.007 1.00 1.00 C ATOM 440 OG SER A 28 3.417 16.453 -1.209 1.00 1.00 O ATOM 0 H SER A 28 3.619 18.881 -1.022 1.00 1.00 H new ATOM 0 HA SER A 28 3.050 18.247 1.657 1.00 1.00 H new ATOM 0 HB2 SER A 28 2.618 15.971 0.624 1.00 1.00 H new ATOM 0 HB3 SER A 28 1.784 17.246 -0.241 1.00 1.00 H new ATOM 0 HG SER A 28 3.056 15.592 -1.508 1.00 1.00 H new ATOM 446 N ASP A 29 4.693 16.273 2.152 1.00 1.00 N ATOM 447 CA ASP A 29 5.728 15.362 2.529 1.00 1.00 C ATOM 448 C ASP A 29 5.147 13.991 2.468 1.00 1.00 C ATOM 449 O ASP A 29 3.931 13.814 2.523 1.00 1.00 O ATOM 450 CB ASP A 29 6.280 15.718 3.920 1.00 1.00 C ATOM 451 CG ASP A 29 7.702 15.225 4.146 1.00 1.00 C ATOM 452 OD1 ASP A 29 8.228 14.444 3.310 1.00 1.00 O ATOM 453 OD2 ASP A 29 8.314 15.587 5.185 1.00 1.00 O ATOM 0 H ASP A 29 3.812 16.094 2.634 1.00 1.00 H new ATOM 0 HA ASP A 29 6.580 15.420 1.852 1.00 1.00 H new ATOM 0 HB2 ASP A 29 6.253 16.800 4.048 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.629 15.290 4.682 1.00 1.00 H new ATOM 458 N ILE A 30 6.000 12.960 2.327 1.00 1.00 N ATOM 459 CA ILE A 30 5.617 11.614 2.034 1.00 1.00 C ATOM 460 C ILE A 30 6.738 10.723 2.445 1.00 1.00 C ATOM 461 O ILE A 30 7.897 10.885 2.068 1.00 1.00 O ATOM 462 CB ILE A 30 5.159 11.406 0.621 1.00 1.00 C ATOM 463 CG1 ILE A 30 4.610 9.987 0.398 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.243 11.783 -0.403 1.00 1.00 C ATOM 465 CD1 ILE A 30 3.732 9.894 -0.850 1.00 1.00 C ATOM 0 H ILE A 30 7.009 13.072 2.423 1.00 1.00 H new ATOM 0 HA ILE A 30 4.726 11.359 2.609 1.00 1.00 H new ATOM 0 HB ILE A 30 4.328 12.092 0.454 1.00 1.00 H new ATOM 0 HG12 ILE A 30 5.442 9.288 0.307 1.00 1.00 H new ATOM 0 HG13 ILE A 30 4.031 9.682 1.270 1.00 1.00 H new ATOM 0 HG21 ILE A 30 5.865 11.615 -1.411 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.506 12.834 -0.284 1.00 1.00 H new ATOM 0 HG23 ILE A 30 7.127 11.167 -0.240 1.00 1.00 H new ATOM 0 HD11 ILE A 30 3.369 8.873 -0.964 1.00 1.00 H new ATOM 0 HD12 ILE A 30 2.884 10.572 -0.750 1.00 1.00 H new ATOM 0 HD13 ILE A 30 4.316 10.171 -1.727 1.00 1.00 H new ATOM 477 N ASP A 31 6.409 9.762 3.328 1.00 1.00 N ATOM 478 CA ASP A 31 7.270 8.778 3.906 1.00 1.00 C ATOM 479 C ASP A 31 6.815 7.435 3.449 1.00 1.00 C ATOM 480 O ASP A 31 5.831 6.878 3.932 1.00 1.00 O ATOM 481 CB ASP A 31 7.166 8.930 5.432 1.00 1.00 C ATOM 482 CG ASP A 31 8.313 8.334 6.236 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.329 7.863 5.660 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.202 8.365 7.491 1.00 1.00 O ATOM 0 H ASP A 31 5.451 9.668 3.666 1.00 1.00 H new ATOM 0 HA ASP A 31 8.311 8.900 3.605 1.00 1.00 H new ATOM 0 HB2 ASP A 31 7.094 9.992 5.669 1.00 1.00 H new ATOM 0 HB3 ASP A 31 6.236 8.466 5.762 1.00 1.00 H new ATOM 489 N CYS A 32 7.509 6.847 2.458 1.00 1.00 N ATOM 490 CA CYS A 32 7.281 5.523 1.968 1.00 1.00 C ATOM 491 C CYS A 32 8.093 4.540 2.736 1.00 1.00 C ATOM 492 O CYS A 32 9.265 4.776 3.029 1.00 1.00 O ATOM 493 CB CYS A 32 7.563 5.554 0.456 1.00 1.00 C ATOM 494 SG CYS A 32 9.293 5.795 -0.047 1.00 1.00 S ATOM 0 H CYS A 32 8.270 7.322 1.973 1.00 1.00 H new ATOM 0 HA CYS A 32 6.252 5.192 2.112 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.211 4.617 0.025 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.966 6.352 0.015 1.00 1.00 H new ATOM 0 HG CYS A 32 10.078 5.523 0.953 1.00 1.00 H new ATOM 500 N GLU A 33 7.500 3.408 3.154 1.00 1.00 N ATOM 501 CA GLU A 33 8.172 2.442 3.969 1.00 1.00 C ATOM 502 C GLU A 33 8.054 1.071 3.399 1.00 1.00 C ATOM 503 O GLU A 33 6.959 0.594 3.103 1.00 1.00 O ATOM 504 CB GLU A 33 7.643 2.351 5.411 1.00 1.00 C ATOM 505 CG GLU A 33 7.912 3.605 6.245 1.00 1.00 C ATOM 506 CD GLU A 33 8.162 3.330 7.721 1.00 1.00 C ATOM 507 OE1 GLU A 33 8.138 2.153 8.171 1.00 1.00 O ATOM 508 OE2 GLU A 33 8.430 4.320 8.452 1.00 1.00 O ATOM 0 H GLU A 33 6.538 3.158 2.923 1.00 1.00 H new ATOM 0 HA GLU A 33 9.203 2.794 3.986 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.569 2.167 5.384 1.00 1.00 H new ATOM 0 HB3 GLU A 33 8.101 1.493 5.903 1.00 1.00 H new ATOM 0 HG2 GLU A 33 8.777 4.124 5.832 1.00 1.00 H new ATOM 0 HG3 GLU A 33 7.061 4.280 6.152 1.00 1.00 H new ATOM 515 N ILE A 34 9.201 0.380 3.285 1.00 1.00 N ATOM 516 CA ILE A 34 9.364 -0.957 2.805 1.00 1.00 C ATOM 517 C ILE A 34 9.651 -1.790 4.007 1.00 1.00 C ATOM 518 O ILE A 34 10.666 -1.691 4.692 1.00 1.00 O ATOM 519 CB ILE A 34 10.417 -1.045 1.741 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.797 -2.491 1.379 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.671 -0.231 2.097 1.00 1.00 C ATOM 522 CD1 ILE A 34 9.643 -3.304 0.792 1.00 1.00 C ATOM 0 H ILE A 34 10.093 0.795 3.553 1.00 1.00 H new ATOM 0 HA ILE A 34 8.466 -1.322 2.307 1.00 1.00 H new ATOM 0 HB ILE A 34 9.964 -0.603 0.854 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.618 -2.472 0.662 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.166 -2.994 2.273 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.405 -0.325 1.297 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.401 0.818 2.220 1.00 1.00 H new ATOM 0 HG23 ILE A 34 12.097 -0.607 3.027 1.00 1.00 H new ATOM 0 HD11 ILE A 34 9.988 -4.312 0.562 1.00 1.00 H new ATOM 0 HD12 ILE A 34 8.829 -3.355 1.515 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.288 -2.825 -0.121 1.00 1.00 H new ATOM 534 N ASN A 35 8.660 -2.639 4.338 1.00 1.00 N ATOM 535 CA ASN A 35 8.696 -3.614 5.382 1.00 1.00 C ATOM 536 C ASN A 35 8.612 -4.961 4.750 1.00 1.00 C ATOM 537 O ASN A 35 8.584 -5.090 3.527 1.00 1.00 O ATOM 538 CB ASN A 35 7.575 -3.366 6.405 1.00 1.00 C ATOM 539 CG ASN A 35 7.873 -2.077 7.157 1.00 1.00 C ATOM 540 OD1 ASN A 35 8.636 -2.075 8.121 1.00 1.00 O ATOM 541 ND2 ASN A 35 7.256 -0.943 6.725 1.00 1.00 N ATOM 0 H ASN A 35 7.771 -2.642 3.838 1.00 1.00 H new ATOM 0 HA ASN A 35 9.627 -3.545 5.944 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.612 -3.294 5.899 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.508 -4.202 7.101 1.00 1.00 H new ATOM 0 HD21 ASN A 35 7.421 -0.058 7.205 1.00 1.00 H new ATOM 0 HD22 ASN A 35 6.628 -0.978 5.922 1.00 1.00 H new ATOM 548 N GLY A 36 8.597 -6.051 5.538 1.00 1.00 N ATOM 549 CA GLY A 36 8.790 -7.374 5.028 1.00 1.00 C ATOM 550 C GLY A 36 7.660 -7.931 4.233 1.00 1.00 C ATOM 551 O GLY A 36 6.733 -8.530 4.777 1.00 1.00 O ATOM 0 H GLY A 36 8.448 -6.014 6.546 1.00 1.00 H new ATOM 0 HA2 GLY A 36 9.684 -7.377 4.405 1.00 1.00 H new ATOM 0 HA3 GLY A 36 8.984 -8.042 5.867 1.00 1.00 H new ATOM 555 N GLY A 37 7.716 -7.748 2.902 1.00 1.00 N ATOM 556 CA GLY A 37 6.693 -8.092 1.965 1.00 1.00 C ATOM 557 C GLY A 37 5.662 -7.028 1.802 1.00 1.00 C ATOM 558 O GLY A 37 4.606 -7.266 1.217 1.00 1.00 O ATOM 0 H GLY A 37 8.531 -7.332 2.451 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.150 -8.297 0.997 1.00 1.00 H new ATOM 0 HA3 GLY A 37 6.207 -9.012 2.289 1.00 1.00 H new ATOM 562 N VAL A 38 5.915 -5.821 2.336 1.00 1.00 N ATOM 563 CA VAL A 38 4.916 -4.814 2.521 1.00 1.00 C ATOM 564 C VAL A 38 5.428 -3.473 2.123 1.00 1.00 C ATOM 565 O VAL A 38 6.447 -3.017 2.639 1.00 1.00 O ATOM 566 CB VAL A 38 4.476 -4.749 3.953 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.354 -3.716 4.154 1.00 1.00 C ATOM 568 CG2 VAL A 38 3.982 -6.123 4.438 1.00 1.00 C ATOM 0 H VAL A 38 6.843 -5.536 2.649 1.00 1.00 H new ATOM 0 HA VAL A 38 4.070 -5.085 1.890 1.00 1.00 H new ATOM 0 HB VAL A 38 5.345 -4.445 4.537 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.061 -3.697 5.204 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.711 -2.729 3.859 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.494 -3.989 3.542 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.668 -6.050 5.479 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.138 -6.443 3.826 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.789 -6.851 4.352 1.00 1.00 H new ATOM 578 N LEU A 39 4.736 -2.747 1.226 1.00 1.00 N ATOM 579 CA LEU A 39 4.911 -1.337 1.062 1.00 1.00 C ATOM 580 C LEU A 39 3.745 -0.632 1.664 1.00 1.00 C ATOM 581 O LEU A 39 2.569 -0.885 1.407 1.00 1.00 O ATOM 582 CB LEU A 39 5.116 -0.912 -0.401 1.00 1.00 C ATOM 583 CG LEU A 39 6.596 -0.999 -0.809 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.737 -0.982 -2.341 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.425 0.181 -0.272 1.00 1.00 C ATOM 0 H LEU A 39 4.038 -3.150 0.600 1.00 1.00 H new ATOM 0 HA LEU A 39 5.830 -1.056 1.577 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.519 -1.549 -1.054 1.00 1.00 H new ATOM 0 HB3 LEU A 39 4.759 0.109 -0.538 1.00 1.00 H new ATOM 0 HG LEU A 39 6.967 -1.931 -0.383 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.791 -1.044 -2.610 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.203 -1.833 -2.765 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.316 -0.057 -2.735 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.462 0.071 -0.589 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.023 1.116 -0.663 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.377 0.193 0.817 1.00 1.00 H new ATOM 597 N THR A 40 4.074 0.306 2.570 1.00 1.00 N ATOM 598 CA THR A 40 3.158 1.110 3.318 1.00 1.00 C ATOM 599 C THR A 40 3.602 2.510 3.066 1.00 1.00 C ATOM 600 O THR A 40 4.747 2.854 3.348 1.00 1.00 O ATOM 601 CB THR A 40 3.248 0.893 4.800 1.00 1.00 C ATOM 602 OG1 THR A 40 4.538 0.467 5.214 1.00 1.00 O ATOM 603 CG2 THR A 40 2.237 -0.202 5.182 1.00 1.00 C ATOM 0 H THR A 40 5.047 0.516 2.794 1.00 1.00 H new ATOM 0 HA THR A 40 2.138 0.872 3.016 1.00 1.00 H new ATOM 0 HB THR A 40 3.038 1.843 5.291 1.00 1.00 H new ATOM 0 HG1 THR A 40 4.545 0.341 6.186 1.00 1.00 H new ATOM 0 HG21 THR A 40 2.282 -0.380 6.256 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.232 0.120 4.909 1.00 1.00 H new ATOM 0 HG23 THR A 40 2.480 -1.123 4.651 1.00 1.00 H new ATOM 611 N ILE A 41 2.716 3.351 2.502 1.00 1.00 N ATOM 612 CA ILE A 41 3.100 4.669 2.104 1.00 1.00 C ATOM 613 C ILE A 41 2.275 5.642 2.875 1.00 1.00 C ATOM 614 O ILE A 41 1.051 5.535 2.924 1.00 1.00 O ATOM 615 CB ILE A 41 3.044 4.927 0.627 1.00 1.00 C ATOM 616 CG1 ILE A 41 3.818 3.868 -0.178 1.00 1.00 C ATOM 617 CG2 ILE A 41 3.624 6.323 0.347 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.991 2.647 -0.577 1.00 1.00 C ATOM 0 H ILE A 41 1.739 3.120 2.323 1.00 1.00 H new ATOM 0 HA ILE A 41 4.158 4.789 2.336 1.00 1.00 H new ATOM 0 HB ILE A 41 2.003 4.873 0.310 1.00 1.00 H new ATOM 0 HG12 ILE A 41 4.214 4.334 -1.080 1.00 1.00 H new ATOM 0 HG13 ILE A 41 4.673 3.536 0.411 1.00 1.00 H new ATOM 0 HG21 ILE A 41 3.589 6.523 -0.724 1.00 1.00 H new ATOM 0 HG22 ILE A 41 3.037 7.074 0.876 1.00 1.00 H new ATOM 0 HG23 ILE A 41 4.658 6.363 0.690 1.00 1.00 H new ATOM 0 HD11 ILE A 41 3.615 1.953 -1.140 1.00 1.00 H new ATOM 0 HD12 ILE A 41 2.617 2.152 0.319 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.151 2.963 -1.195 1.00 1.00 H new ATOM 630 N THR A 42 2.933 6.594 3.561 1.00 1.00 N ATOM 631 CA THR A 42 2.268 7.473 4.469 1.00 1.00 C ATOM 632 C THR A 42 2.625 8.893 4.193 1.00 1.00 C ATOM 633 O THR A 42 3.795 9.243 4.045 1.00 1.00 O ATOM 634 CB THR A 42 2.488 7.171 5.922 1.00 1.00 C ATOM 635 OG1 THR A 42 3.859 7.117 6.289 1.00 1.00 O ATOM 636 CG2 THR A 42 1.863 5.806 6.258 1.00 1.00 C ATOM 0 H THR A 42 3.937 6.755 3.484 1.00 1.00 H new ATOM 0 HA THR A 42 1.207 7.303 4.285 1.00 1.00 H new ATOM 0 HB THR A 42 2.023 7.987 6.476 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.412 7.073 5.481 1.00 1.00 H new ATOM 0 HG21 THR A 42 2.021 5.583 7.313 1.00 1.00 H new ATOM 0 HG22 THR A 42 0.794 5.834 6.049 1.00 1.00 H new ATOM 0 HG23 THR A 42 2.331 5.032 5.650 1.00 1.00 H new ATOM 644 N PHE A 43 1.625 9.786 4.083 1.00 1.00 N ATOM 645 CA PHE A 43 1.829 11.160 3.747 1.00 1.00 C ATOM 646 C PHE A 43 1.334 12.061 4.825 1.00 1.00 C ATOM 647 O PHE A 43 0.756 11.619 5.817 1.00 1.00 O ATOM 648 CB PHE A 43 1.355 11.534 2.332 1.00 1.00 C ATOM 649 CG PHE A 43 0.078 10.906 1.887 1.00 1.00 C ATOM 650 CD1 PHE A 43 0.049 9.589 1.498 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.053 11.672 1.729 1.00 1.00 C ATOM 652 CE1 PHE A 43 -1.084 9.039 0.947 1.00 1.00 C ATOM 653 CE2 PHE A 43 -2.184 11.137 1.155 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.199 9.821 0.755 1.00 1.00 C ATOM 0 H PHE A 43 0.645 9.544 4.232 1.00 1.00 H new ATOM 0 HA PHE A 43 2.906 11.316 3.693 1.00 1.00 H new ATOM 0 HB2 PHE A 43 1.242 12.617 2.282 1.00 1.00 H new ATOM 0 HB3 PHE A 43 2.138 11.262 1.624 1.00 1.00 H new ATOM 0 HD1 PHE A 43 0.929 8.977 1.627 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -1.054 12.701 2.058 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -1.099 7.996 0.666 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -3.061 11.752 1.018 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.082 9.404 0.293 1.00 1.00 H new ATOM 664 N GLU A 44 1.611 13.371 4.702 1.00 1.00 N ATOM 665 CA GLU A 44 1.602 14.338 5.755 1.00 1.00 C ATOM 666 C GLU A 44 0.291 14.601 6.414 1.00 1.00 C ATOM 667 O GLU A 44 0.217 14.986 7.579 1.00 1.00 O ATOM 668 CB GLU A 44 2.213 15.609 5.139 1.00 1.00 C ATOM 669 CG GLU A 44 1.319 16.499 4.274 1.00 1.00 C ATOM 670 CD GLU A 44 0.738 17.690 5.024 1.00 1.00 C ATOM 671 OE1 GLU A 44 1.515 18.425 5.689 1.00 1.00 O ATOM 672 OE2 GLU A 44 -0.496 17.920 4.925 1.00 1.00 O ATOM 0 H GLU A 44 1.859 13.783 3.802 1.00 1.00 H new ATOM 0 HA GLU A 44 2.177 13.945 6.594 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.601 16.220 5.954 1.00 1.00 H new ATOM 0 HB3 GLU A 44 3.067 15.307 4.533 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.896 16.862 3.423 1.00 1.00 H new ATOM 0 HG3 GLU A 44 0.502 15.899 3.873 1.00 1.00 H new ATOM 679 N ASN A 45 -0.814 14.336 5.694 1.00 1.00 N ATOM 680 CA ASN A 45 -2.150 14.405 6.197 1.00 1.00 C ATOM 681 C ASN A 45 -2.491 13.400 7.244 1.00 1.00 C ATOM 682 O ASN A 45 -3.468 13.550 7.976 1.00 1.00 O ATOM 683 CB ASN A 45 -3.141 14.178 5.041 1.00 1.00 C ATOM 684 CG ASN A 45 -2.946 15.251 3.980 1.00 1.00 C ATOM 685 OD1 ASN A 45 -2.344 14.998 2.937 1.00 1.00 O ATOM 686 ND2 ASN A 45 -3.440 16.484 4.274 1.00 1.00 N ATOM 0 H ASN A 45 -0.773 14.060 4.713 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.221 15.393 6.652 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -2.987 13.191 4.606 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.164 14.205 5.416 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -3.319 17.253 3.615 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -3.932 16.640 5.154 1.00 1.00 H new ATOM 693 N GLY A 46 -1.704 12.316 7.364 1.00 1.00 N ATOM 694 CA GLY A 46 -2.049 11.195 8.181 1.00 1.00 C ATOM 695 C GLY A 46 -2.953 10.278 7.429 1.00 1.00 C ATOM 696 O GLY A 46 -3.955 9.797 7.956 1.00 1.00 O ATOM 0 H GLY A 46 -0.810 12.216 6.884 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.147 10.663 8.484 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.539 11.536 9.093 1.00 1.00 H new ATOM 700 N SER A 47 -2.608 10.039 6.151 1.00 1.00 N ATOM 701 CA SER A 47 -3.335 9.243 5.212 1.00 1.00 C ATOM 702 C SER A 47 -2.405 8.193 4.711 1.00 1.00 C ATOM 703 O SER A 47 -1.190 8.347 4.831 1.00 1.00 O ATOM 704 CB SER A 47 -3.825 10.078 4.017 1.00 1.00 C ATOM 705 OG SER A 47 -4.833 11.000 4.403 1.00 1.00 O ATOM 0 H SER A 47 -1.758 10.432 5.746 1.00 1.00 H new ATOM 0 HA SER A 47 -4.211 8.819 5.703 1.00 1.00 H new ATOM 0 HB2 SER A 47 -2.985 10.618 3.581 1.00 1.00 H new ATOM 0 HB3 SER A 47 -4.214 9.415 3.244 1.00 1.00 H new ATOM 0 HG SER A 47 -5.091 11.545 3.630 1.00 1.00 H new ATOM 711 N LYS A 48 -2.922 7.076 4.169 1.00 1.00 N ATOM 712 CA LYS A 48 -2.129 5.892 4.048 1.00 1.00 C ATOM 713 C LYS A 48 -2.495 4.996 2.915 1.00 1.00 C ATOM 714 O LYS A 48 -3.665 4.781 2.605 1.00 1.00 O ATOM 715 CB LYS A 48 -2.180 5.080 5.354 1.00 1.00 C ATOM 716 CG LYS A 48 -3.587 4.671 5.793 1.00 1.00 C ATOM 717 CD LYS A 48 -3.654 3.957 7.146 1.00 1.00 C ATOM 718 CE LYS A 48 -3.019 2.566 7.155 1.00 1.00 C ATOM 719 NZ LYS A 48 -3.306 1.873 8.432 1.00 1.00 N ATOM 0 H LYS A 48 -3.876 6.992 3.819 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.123 6.256 3.839 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.576 4.181 5.232 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -1.721 5.667 6.150 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -4.213 5.563 5.837 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -4.015 4.019 5.032 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -3.158 4.575 7.895 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -4.698 3.869 7.446 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -3.404 1.979 6.321 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -1.941 2.651 7.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -2.868 0.930 8.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.918 2.426 9.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -4.335 1.775 8.550 1.00 1.00 H new ATOM 733 N ILE A 49 -1.473 4.397 2.279 1.00 1.00 N ATOM 734 CA ILE A 49 -1.597 3.308 1.360 1.00 1.00 C ATOM 735 C ILE A 49 -1.044 2.113 2.057 1.00 1.00 C ATOM 736 O ILE A 49 0.043 2.194 2.629 1.00 1.00 O ATOM 737 CB ILE A 49 -0.819 3.463 0.087 1.00 1.00 C ATOM 738 CG1 ILE A 49 -0.748 4.913 -0.423 1.00 1.00 C ATOM 739 CG2 ILE A 49 -1.360 2.499 -0.982 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.081 5.569 -0.781 1.00 1.00 C ATOM 0 H ILE A 49 -0.505 4.689 2.414 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.648 3.241 1.078 1.00 1.00 H new ATOM 0 HB ILE A 49 0.214 3.197 0.310 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.261 5.521 0.340 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -0.108 4.935 -1.305 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -0.789 2.619 -1.903 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.266 1.473 -0.628 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -2.410 2.721 -1.175 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -1.904 6.587 -1.127 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -2.568 4.997 -1.571 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -2.723 5.592 0.099 1.00 1.00 H new ATOM 752 N ILE A 50 -1.731 0.957 2.047 1.00 1.00 N ATOM 753 CA ILE A 50 -1.217 -0.262 2.587 1.00 1.00 C ATOM 754 C ILE A 50 -1.267 -1.321 1.540 1.00 1.00 C ATOM 755 O ILE A 50 -2.310 -1.675 0.991 1.00 1.00 O ATOM 756 CB ILE A 50 -1.899 -0.622 3.874 1.00 1.00 C ATOM 757 CG1 ILE A 50 -1.599 -2.061 4.331 1.00 1.00 C ATOM 758 CG2 ILE A 50 -3.417 -0.388 3.806 1.00 1.00 C ATOM 759 CD1 ILE A 50 -0.123 -2.282 4.659 1.00 1.00 C ATOM 0 H ILE A 50 -2.668 0.868 1.653 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.169 -0.141 2.862 1.00 1.00 H new ATOM 0 HB ILE A 50 -1.481 0.050 4.623 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -2.200 -2.291 5.211 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -1.901 -2.757 3.548 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -3.870 -0.662 4.759 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -3.614 0.664 3.599 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -3.844 -1.000 3.012 1.00 1.00 H new ATOM 0 HD11 ILE A 50 0.029 -3.314 4.975 1.00 1.00 H new ATOM 0 HD12 ILE A 50 0.480 -2.081 3.774 1.00 1.00 H new ATOM 0 HD13 ILE A 50 0.176 -1.609 5.462 1.00 1.00 H new ATOM 771 N ILE A 51 -0.073 -1.847 1.218 1.00 1.00 N ATOM 772 CA ILE A 51 0.168 -2.860 0.236 1.00 1.00 C ATOM 773 C ILE A 51 0.892 -4.016 0.836 1.00 1.00 C ATOM 774 O ILE A 51 2.116 -4.071 0.943 1.00 1.00 O ATOM 775 CB ILE A 51 0.941 -2.366 -0.950 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.323 -1.011 -1.336 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.859 -3.409 -2.076 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.714 -0.588 -2.752 1.00 1.00 C ATOM 0 H ILE A 51 0.786 -1.543 1.677 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.816 -3.169 -0.116 1.00 1.00 H new ATOM 0 HB ILE A 51 2.001 -2.227 -0.740 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.763 -1.073 -1.263 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.647 -0.249 -0.627 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.419 -3.055 -2.941 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.283 -4.352 -1.730 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.183 -3.561 -2.356 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.256 0.374 -2.984 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.798 -0.499 -2.819 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.366 -1.336 -3.464 1.00 1.00 H new ATOM 790 N ASN A 52 0.087 -5.023 1.220 1.00 1.00 N ATOM 791 CA ASN A 52 0.507 -6.342 1.577 1.00 1.00 C ATOM 792 C ASN A 52 0.403 -7.213 0.372 1.00 1.00 C ATOM 793 O ASN A 52 -0.388 -7.017 -0.549 1.00 1.00 O ATOM 794 CB ASN A 52 -0.333 -6.984 2.695 1.00 1.00 C ATOM 795 CG ASN A 52 -0.474 -6.137 3.950 1.00 1.00 C ATOM 796 OD1 ASN A 52 -1.548 -5.622 4.252 1.00 1.00 O ATOM 797 ND2 ASN A 52 0.614 -6.055 4.763 1.00 1.00 N ATOM 0 H ASN A 52 -0.924 -4.907 1.285 1.00 1.00 H new ATOM 0 HA ASN A 52 1.528 -6.253 1.949 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -1.328 -7.200 2.305 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.117 -7.939 2.966 1.00 1.00 H new ATOM 0 HD21 ASN A 52 0.551 -5.556 5.650 1.00 1.00 H new ATOM 0 HD22 ASN A 52 1.492 -6.493 4.485 1.00 1.00 H new ATOM 804 N ARG A 53 1.277 -8.236 0.329 1.00 1.00 N ATOM 805 CA ARG A 53 1.525 -8.936 -0.892 1.00 1.00 C ATOM 806 C ARG A 53 1.972 -10.332 -0.624 1.00 1.00 C ATOM 807 O ARG A 53 2.693 -10.639 0.325 1.00 1.00 O ATOM 808 CB ARG A 53 2.509 -8.084 -1.711 1.00 1.00 C ATOM 809 CG ARG A 53 3.149 -8.704 -2.955 1.00 1.00 C ATOM 810 CD ARG A 53 4.490 -9.408 -2.731 1.00 1.00 C ATOM 811 NE ARG A 53 5.498 -8.358 -2.419 1.00 1.00 N ATOM 812 CZ ARG A 53 6.778 -8.661 -2.051 1.00 1.00 C ATOM 813 NH1 ARG A 53 7.125 -9.888 -1.562 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.758 -7.716 -2.137 1.00 1.00 N ATOM 0 H ARG A 53 1.807 -8.575 1.132 1.00 1.00 H new ATOM 0 HA ARG A 53 0.619 -9.062 -1.485 1.00 1.00 H new ATOM 0 HB2 ARG A 53 1.986 -7.180 -2.023 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.313 -7.773 -1.044 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.449 -9.423 -3.381 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.291 -7.919 -3.697 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.416 -10.124 -1.912 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.782 -9.969 -3.619 1.00 1.00 H new ATOM 0 HE ARG A 53 5.223 -7.378 -2.482 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.417 -10.616 -1.461 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.092 -10.077 -1.298 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.536 -6.780 -2.477 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.713 -7.945 -1.861 1.00 1.00 H new ATOM 828 N GLN A 54 1.475 -11.234 -1.489 1.00 1.00 N ATOM 829 CA GLN A 54 1.739 -12.637 -1.529 1.00 1.00 C ATOM 830 C GLN A 54 2.525 -12.906 -2.765 1.00 1.00 C ATOM 831 O GLN A 54 2.225 -12.438 -3.863 1.00 1.00 O ATOM 832 CB GLN A 54 0.436 -13.455 -1.502 1.00 1.00 C ATOM 833 CG GLN A 54 -0.717 -12.911 -2.350 1.00 1.00 C ATOM 834 CD GLN A 54 -1.496 -11.791 -1.673 1.00 1.00 C ATOM 835 OE1 GLN A 54 -1.330 -10.607 -1.954 1.00 1.00 O ATOM 836 NE2 GLN A 54 -2.371 -12.170 -0.704 1.00 1.00 N ATOM 0 H GLN A 54 0.830 -10.952 -2.227 1.00 1.00 H new ATOM 0 HA GLN A 54 2.305 -12.940 -0.648 1.00 1.00 H new ATOM 0 HB2 GLN A 54 0.660 -14.468 -1.836 1.00 1.00 H new ATOM 0 HB3 GLN A 54 0.098 -13.528 -0.468 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -0.320 -12.545 -3.297 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -1.400 -13.727 -2.585 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -2.494 -13.159 -0.486 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -2.905 -11.465 -0.195 1.00 1.00 H new ATOM 845 N GLU A 55 3.620 -13.670 -2.602 1.00 1.00 N ATOM 846 CA GLU A 55 4.345 -14.291 -3.667 1.00 1.00 C ATOM 847 C GLU A 55 3.617 -15.374 -4.386 1.00 1.00 C ATOM 848 O GLU A 55 3.642 -15.309 -5.614 1.00 1.00 O ATOM 849 CB GLU A 55 5.720 -14.814 -3.220 1.00 1.00 C ATOM 850 CG GLU A 55 6.621 -13.759 -2.576 1.00 1.00 C ATOM 851 CD GLU A 55 7.909 -14.395 -2.072 1.00 1.00 C ATOM 852 OE1 GLU A 55 7.827 -15.456 -1.398 1.00 1.00 O ATOM 853 OE2 GLU A 55 9.002 -13.814 -2.308 1.00 1.00 O ATOM 0 H GLU A 55 4.019 -13.864 -1.683 1.00 1.00 H new ATOM 0 HA GLU A 55 4.475 -13.476 -4.379 1.00 1.00 H new ATOM 0 HB2 GLU A 55 5.572 -15.629 -2.511 1.00 1.00 H new ATOM 0 HB3 GLU A 55 6.234 -15.233 -4.085 1.00 1.00 H new ATOM 0 HG2 GLU A 55 6.853 -12.979 -3.301 1.00 1.00 H new ATOM 0 HG3 GLU A 55 6.097 -13.280 -1.749 1.00 1.00 H new ATOM 860 N PRO A 56 2.984 -16.372 -3.843 1.00 1.00 N ATOM 861 CA PRO A 56 2.176 -17.284 -4.599 1.00 1.00 C ATOM 862 C PRO A 56 0.848 -16.710 -4.958 1.00 1.00 C ATOM 863 O PRO A 56 0.605 -15.526 -4.729 1.00 1.00 O ATOM 864 CB PRO A 56 2.025 -18.482 -3.665 1.00 1.00 C ATOM 865 CG PRO A 56 2.020 -17.861 -2.259 1.00 1.00 C ATOM 866 CD PRO A 56 3.069 -16.752 -2.441 1.00 1.00 C ATOM 0 HA PRO A 56 2.631 -17.536 -5.557 1.00 1.00 H new ATOM 0 HB2 PRO A 56 1.103 -19.028 -3.863 1.00 1.00 H new ATOM 0 HB3 PRO A 56 2.846 -19.188 -3.786 1.00 1.00 H new ATOM 0 HG2 PRO A 56 1.042 -17.466 -1.983 1.00 1.00 H new ATOM 0 HG3 PRO A 56 2.303 -18.578 -1.488 1.00 1.00 H new ATOM 0 HD2 PRO A 56 2.861 -15.903 -1.790 1.00 1.00 H new ATOM 0 HD3 PRO A 56 4.068 -17.110 -2.190 1.00 1.00 H new ATOM 874 N LEU A 57 -0.067 -17.513 -5.530 1.00 1.00 N ATOM 875 CA LEU A 57 -1.427 -17.198 -5.840 1.00 1.00 C ATOM 876 C LEU A 57 -1.608 -16.368 -7.063 1.00 1.00 C ATOM 877 O LEU A 57 -2.461 -16.647 -7.905 1.00 1.00 O ATOM 878 CB LEU A 57 -2.269 -16.589 -4.707 1.00 1.00 C ATOM 879 CG LEU A 57 -2.107 -17.366 -3.390 1.00 1.00 C ATOM 880 CD1 LEU A 57 -2.815 -16.634 -2.238 1.00 1.00 C ATOM 881 CD2 LEU A 57 -2.583 -18.827 -3.467 1.00 1.00 C ATOM 0 H LEU A 57 0.168 -18.468 -5.799 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.813 -18.201 -6.021 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.975 -15.551 -4.554 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -3.319 -16.583 -4.998 1.00 1.00 H new ATOM 0 HG LEU A 57 -1.035 -17.405 -3.197 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -2.689 -17.200 -1.315 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.382 -15.641 -2.117 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.877 -16.541 -2.464 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -2.437 -19.309 -2.500 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.641 -18.852 -3.728 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -2.009 -19.357 -4.227 1.00 1.00 H new ATOM 893 N HIS A 58 -0.760 -15.330 -7.176 1.00 1.00 N ATOM 894 CA HIS A 58 -0.525 -14.482 -8.303 1.00 1.00 C ATOM 895 C HIS A 58 -1.398 -13.274 -8.305 1.00 1.00 C ATOM 896 O HIS A 58 -1.997 -12.935 -9.323 1.00 1.00 O ATOM 897 CB HIS A 58 -0.608 -15.132 -9.695 1.00 1.00 C ATOM 898 CG HIS A 58 0.192 -16.386 -9.888 1.00 1.00 C ATOM 899 ND1 HIS A 58 0.650 -16.776 -11.119 1.00 1.00 N ATOM 900 CD2 HIS A 58 0.500 -17.395 -9.028 1.00 1.00 C ATOM 901 CE1 HIS A 58 1.218 -17.964 -11.013 1.00 1.00 C ATOM 902 NE2 HIS A 58 1.131 -18.366 -9.759 1.00 1.00 N ATOM 0 H HIS A 58 -0.175 -15.057 -6.386 1.00 1.00 H new ATOM 0 HA HIS A 58 0.521 -14.215 -8.150 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.653 -15.356 -9.907 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.283 -14.401 -10.435 1.00 1.00 H new ATOM 0 HD1 HIS A 58 0.566 -16.235 -11.980 1.00 1.00 H new ATOM 0 HD2 HIS A 58 0.287 -17.424 -7.970 1.00 1.00 H new ATOM 0 HE1 HIS A 58 1.678 -18.515 -11.820 1.00 1.00 H new ATOM 910 N GLN A 59 -1.523 -12.560 -7.172 1.00 1.00 N ATOM 911 CA GLN A 59 -2.242 -11.329 -7.061 1.00 1.00 C ATOM 912 C GLN A 59 -1.589 -10.534 -5.984 1.00 1.00 C ATOM 913 O GLN A 59 -0.824 -11.093 -5.199 1.00 1.00 O ATOM 914 CB GLN A 59 -3.744 -11.501 -6.776 1.00 1.00 C ATOM 915 CG GLN A 59 -4.190 -12.611 -5.821 1.00 1.00 C ATOM 916 CD GLN A 59 -4.233 -12.249 -4.343 1.00 1.00 C ATOM 917 OE1 GLN A 59 -4.087 -11.111 -3.901 1.00 1.00 O ATOM 918 NE2 GLN A 59 -4.522 -13.280 -3.505 1.00 1.00 N ATOM 0 H GLN A 59 -1.102 -12.856 -6.291 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.201 -10.820 -8.024 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -4.115 -10.556 -6.380 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.244 -11.665 -7.730 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -5.184 -12.943 -6.122 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -3.519 -13.461 -5.946 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -4.642 -14.222 -3.878 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -4.619 -13.112 -2.504 1.00 1.00 H new ATOM 927 N VAL A 60 -1.823 -9.211 -5.923 1.00 1.00 N ATOM 928 CA VAL A 60 -1.352 -8.403 -4.840 1.00 1.00 C ATOM 929 C VAL A 60 -2.526 -7.722 -4.225 1.00 1.00 C ATOM 930 O VAL A 60 -3.524 -7.518 -4.915 1.00 1.00 O ATOM 931 CB VAL A 60 -0.304 -7.439 -5.308 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.184 -6.496 -4.195 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.915 -8.215 -5.838 1.00 1.00 C ATOM 0 H VAL A 60 -2.344 -8.696 -6.632 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.870 -9.021 -4.083 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.767 -6.836 -6.089 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.942 -5.822 -4.595 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.656 -5.914 -3.817 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.613 -7.083 -3.383 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.675 -7.511 -6.177 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.325 -8.836 -5.042 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.609 -8.848 -6.671 1.00 1.00 H new ATOM 943 N TRP A 61 -2.500 -7.326 -2.940 1.00 1.00 N ATOM 944 CA TRP A 61 -3.570 -6.608 -2.320 1.00 1.00 C ATOM 945 C TRP A 61 -3.369 -5.139 -2.477 1.00 1.00 C ATOM 946 O TRP A 61 -2.239 -4.669 -2.606 1.00 1.00 O ATOM 947 CB TRP A 61 -3.792 -7.094 -0.878 1.00 1.00 C ATOM 948 CG TRP A 61 -3.748 -6.092 0.251 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.764 -5.164 0.437 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.738 -5.832 1.264 1.00 1.00 C ATOM 951 NE1 TRP A 61 -3.087 -4.316 1.463 1.00 1.00 N ATOM 952 CE2 TRP A 61 -4.283 -4.731 1.999 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.926 -6.440 1.564 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -5.017 -4.246 3.047 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.652 -5.943 2.619 1.00 1.00 C ATOM 956 CH2 TRP A 61 -6.207 -4.866 3.348 1.00 1.00 C ATOM 0 H TRP A 61 -1.715 -7.510 -2.316 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.511 -6.821 -2.828 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.764 -7.585 -0.843 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.042 -7.857 -0.669 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.856 -5.106 -0.145 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -2.536 -3.516 1.775 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.282 -7.283 0.990 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -4.671 -3.400 3.622 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -7.591 -6.408 2.881 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -6.802 -4.500 4.172 1.00 1.00 H new ATOM 967 N LEU A 62 -4.426 -4.309 -2.468 1.00 1.00 N ATOM 968 CA LEU A 62 -4.264 -2.894 -2.590 1.00 1.00 C ATOM 969 C LEU A 62 -5.316 -2.167 -1.824 1.00 1.00 C ATOM 970 O LEU A 62 -6.459 -2.091 -2.269 1.00 1.00 O ATOM 971 CB LEU A 62 -4.414 -2.588 -4.089 1.00 1.00 C ATOM 972 CG LEU A 62 -3.922 -1.241 -4.647 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.751 -0.023 -4.205 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.429 -1.007 -4.363 1.00 1.00 C ATOM 0 H LEU A 62 -5.394 -4.618 -2.376 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.300 -2.575 -2.195 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -3.895 -3.375 -4.635 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -5.473 -2.675 -4.334 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.067 -1.330 -5.724 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.332 0.882 -4.646 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.782 -0.145 -4.537 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.727 0.058 -3.118 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.127 -0.044 -4.775 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.259 -1.010 -3.286 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -1.842 -1.800 -4.826 1.00 1.00 H new ATOM 986 N ALA A 63 -4.995 -1.598 -0.648 1.00 1.00 N ATOM 987 CA ALA A 63 -5.914 -0.763 0.062 1.00 1.00 C ATOM 988 C ALA A 63 -5.381 0.597 0.362 1.00 1.00 C ATOM 989 O ALA A 63 -4.240 0.775 0.784 1.00 1.00 O ATOM 990 CB ALA A 63 -6.369 -1.451 1.360 1.00 1.00 C ATOM 0 H ALA A 63 -4.093 -1.717 -0.187 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.766 -0.619 -0.602 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -7.068 -0.803 1.889 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.859 -2.394 1.119 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.503 -1.644 1.993 1.00 1.00 H new ATOM 996 N THR A 64 -6.210 1.634 0.154 1.00 1.00 N ATOM 997 CA THR A 64 -5.928 2.978 0.551 1.00 1.00 C ATOM 998 C THR A 64 -7.157 3.520 1.194 1.00 1.00 C ATOM 999 O THR A 64 -7.267 3.503 2.419 1.00 1.00 O ATOM 1000 CB THR A 64 -5.293 3.826 -0.510 1.00 1.00 C ATOM 1001 OG1 THR A 64 -5.608 5.210 -0.470 1.00 1.00 O ATOM 1002 CG2 THR A 64 -5.632 3.326 -1.925 1.00 1.00 C ATOM 0 H THR A 64 -7.113 1.533 -0.309 1.00 1.00 H new ATOM 0 HA THR A 64 -5.128 2.992 1.291 1.00 1.00 H new ATOM 0 HB THR A 64 -4.232 3.723 -0.285 1.00 1.00 H new ATOM 0 HG1 THR A 64 -5.080 5.646 0.231 1.00 1.00 H new ATOM 0 HG21 THR A 64 -5.152 3.969 -2.663 1.00 1.00 H new ATOM 0 HG22 THR A 64 -5.273 2.304 -2.046 1.00 1.00 H new ATOM 0 HG23 THR A 64 -6.712 3.350 -2.071 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.163 3.981 0.430 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.329 4.592 0.989 1.00 1.00 C ATOM 1012 C LYS A 65 -10.344 3.604 1.451 1.00 1.00 C ATOM 1013 O LYS A 65 -10.421 3.307 2.643 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.904 5.714 0.107 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.479 6.869 0.930 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.829 6.598 1.598 1.00 1.00 C ATOM 1017 CE LYS A 65 -12.277 7.647 2.617 1.00 1.00 C ATOM 1018 NZ LYS A 65 -11.376 7.679 3.791 1.00 1.00 N ATOM 0 H LYS A 65 -8.168 3.929 -0.589 1.00 1.00 H new ATOM 0 HA LYS A 65 -8.996 5.094 1.898 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.121 6.094 -0.549 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.685 5.304 -0.534 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.758 7.134 1.703 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.584 7.738 0.280 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.591 6.521 0.822 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.782 5.629 2.095 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -12.297 8.629 2.145 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -13.294 7.429 2.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -11.803 8.259 4.541 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -11.230 6.711 4.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -10.461 8.089 3.515 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.215 3.085 0.566 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.271 2.209 0.968 1.00 1.00 C ATOM 1034 C GLN A 66 -12.286 0.956 0.161 1.00 1.00 C ATOM 1035 O GLN A 66 -12.705 -0.111 0.608 1.00 1.00 O ATOM 1036 CB GLN A 66 -13.609 2.947 0.787 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.813 2.218 1.384 1.00 1.00 C ATOM 1038 CD GLN A 66 -16.096 2.996 1.122 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -16.659 3.638 2.007 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -16.580 2.948 -0.148 1.00 1.00 N ATOM 0 H GLN A 66 -11.186 3.275 -0.436 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.115 1.930 2.010 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -13.532 3.933 1.245 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -13.784 3.103 -0.278 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.892 1.220 0.952 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -14.672 2.090 2.457 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -16.090 2.407 -0.860 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -17.433 3.453 -0.388 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.768 1.025 -1.078 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.711 -0.075 -1.991 1.00 1.00 C ATOM 1051 C GLY A 67 -10.419 -0.803 -1.863 1.00 1.00 C ATOM 1052 O GLY A 67 -9.552 -0.722 -2.733 1.00 1.00 O ATOM 0 H GLY A 67 -11.372 1.884 -1.460 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -12.539 -0.757 -1.797 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -11.829 0.288 -3.012 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.262 -1.526 -0.739 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.200 -2.464 -0.549 1.00 1.00 C ATOM 1058 C GLY A 68 -9.444 -3.753 -1.255 1.00 1.00 C ATOM 1059 O GLY A 68 -10.128 -4.639 -0.744 1.00 1.00 O ATOM 0 H GLY A 68 -10.892 -1.456 0.060 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.267 -2.029 -0.906 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -9.075 -2.655 0.517 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.898 -3.870 -2.479 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.164 -4.954 -3.373 1.00 1.00 C ATOM 1065 C TYR A 69 -7.855 -5.537 -3.780 1.00 1.00 C ATOM 1066 O TYR A 69 -6.846 -4.834 -3.840 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.846 -4.442 -4.654 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.082 -3.641 -4.427 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.973 -3.892 -3.410 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.359 -2.618 -5.302 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.099 -3.121 -3.246 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.493 -1.853 -5.163 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.360 -2.095 -4.122 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.482 -1.262 -3.929 1.00 1.00 O ATOM 0 H TYR A 69 -8.247 -3.184 -2.860 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.808 -5.679 -2.875 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -9.133 -3.834 -5.210 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -10.094 -5.297 -5.283 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.785 -4.709 -2.729 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.675 -2.412 -6.112 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.778 -3.321 -2.430 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.703 -1.064 -5.870 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.515 -0.588 -4.640 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.793 -6.838 -4.112 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.619 -7.386 -4.720 1.00 1.00 C ATOM 1086 C HIS A 70 -6.721 -7.354 -6.207 1.00 1.00 C ATOM 1087 O HIS A 70 -7.799 -7.212 -6.780 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.291 -8.793 -4.195 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.421 -9.777 -4.142 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -7.966 -10.352 -5.259 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.089 -10.291 -3.073 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -8.943 -11.161 -4.893 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -9.042 -11.137 -3.576 1.00 1.00 N ATOM 0 H HIS A 70 -8.548 -7.507 -3.962 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.780 -6.752 -4.433 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.504 -9.214 -4.821 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -5.881 -8.693 -3.190 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -7.904 -10.074 -2.031 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.559 -11.746 -5.560 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -9.719 -11.663 -3.023 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.555 -7.403 -6.877 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.446 -7.020 -8.251 1.00 1.00 C ATOM 1103 C PHE A 71 -4.754 -8.017 -9.114 1.00 1.00 C ATOM 1104 O PHE A 71 -3.824 -8.699 -8.688 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.912 -5.579 -8.336 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.521 -5.279 -7.891 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.238 -5.026 -6.570 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.537 -5.044 -8.822 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -1.999 -4.573 -6.186 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.278 -4.635 -8.453 1.00 1.00 C ATOM 1111 CZ PHE A 71 -1.010 -4.399 -7.125 1.00 1.00 C ATOM 0 H PHE A 71 -4.677 -7.712 -6.460 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.443 -7.019 -8.692 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.997 -5.261 -9.375 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.583 -4.948 -7.754 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -4.001 -5.186 -5.823 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.759 -5.184 -9.870 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -1.802 -4.354 -5.147 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.508 -4.500 -9.198 1.00 1.00 H new ATOM 0 HZ PHE A 71 -0.025 -4.078 -6.820 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.227 -8.161 -10.366 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.743 -9.089 -11.340 1.00 1.00 C ATOM 1123 C ASP A 72 -4.361 -8.379 -12.592 1.00 1.00 C ATOM 1124 O ASP A 72 -4.883 -7.314 -12.919 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.795 -10.120 -11.785 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.281 -11.007 -10.646 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -5.509 -11.909 -10.226 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -7.450 -10.849 -10.203 1.00 1.00 O ATOM 0 H ASP A 72 -5.997 -7.592 -10.719 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.906 -9.587 -10.850 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.647 -9.597 -12.219 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.372 -10.746 -12.570 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.436 -8.961 -13.376 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.918 -8.421 -14.595 1.00 1.00 C ATOM 1135 C LEU A 73 -3.764 -8.796 -15.763 1.00 1.00 C ATOM 1136 O LEU A 73 -4.210 -9.935 -15.901 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.498 -8.978 -14.789 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.737 -8.559 -16.059 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.516 -7.038 -16.136 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.615 -9.286 -16.132 1.00 1.00 C ATOM 0 H LEU A 73 -3.025 -9.865 -13.144 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.911 -7.333 -14.532 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.900 -8.683 -13.926 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.559 -10.066 -14.777 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.356 -8.843 -16.910 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.025 -6.795 -17.050 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.480 -6.530 -16.139 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.064 -6.710 -15.273 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.144 -8.981 -17.035 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.213 -9.030 -15.257 1.00 1.00 H new ATOM 0 HD23 LEU A 73 0.448 -10.363 -16.155 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.020 -7.843 -16.677 1.00 1.00 N ATOM 1153 CA LYS A 74 -4.542 -8.128 -17.977 1.00 1.00 C ATOM 1154 C LYS A 74 -3.436 -8.077 -18.973 1.00 1.00 C ATOM 1155 O LYS A 74 -2.944 -9.116 -19.408 1.00 1.00 O ATOM 1156 CB LYS A 74 -5.698 -7.184 -18.349 1.00 1.00 C ATOM 1157 CG LYS A 74 -6.920 -7.336 -17.442 1.00 1.00 C ATOM 1158 CD LYS A 74 -7.668 -8.666 -17.560 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.010 -8.600 -18.294 1.00 1.00 C ATOM 1160 NZ LYS A 74 -8.827 -8.224 -19.713 1.00 1.00 N ATOM 0 H LYS A 74 -3.860 -6.850 -16.508 1.00 1.00 H new ATOM 0 HA LYS A 74 -4.964 -9.133 -17.975 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -5.346 -6.154 -18.302 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -5.994 -7.373 -19.381 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -6.601 -7.210 -16.408 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.617 -6.527 -17.662 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -7.026 -9.380 -18.075 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.840 -9.057 -16.557 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.509 -9.567 -18.233 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.660 -7.875 -17.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -9.753 -8.187 -20.185 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -8.373 -7.290 -19.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -8.226 -8.930 -20.184 1.00 1.00 H new ATOM 1174 N GLY A 75 -2.976 -6.874 -19.361 1.00 1.00 N ATOM 1175 CA GLY A 75 -1.937 -6.725 -20.332 1.00 1.00 C ATOM 1176 C GLY A 75 -1.069 -5.547 -20.047 1.00 1.00 C ATOM 1177 O GLY A 75 0.056 -5.694 -19.570 1.00 1.00 O ATOM 0 H GLY A 75 -3.331 -5.991 -18.995 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -1.327 -7.628 -20.351 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -2.379 -6.618 -21.322 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.567 -4.334 -20.346 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.966 -3.093 -19.971 1.00 1.00 C ATOM 1183 C ASP A 76 -1.853 -2.386 -19.005 1.00 1.00 C ATOM 1184 O ASP A 76 -2.039 -1.172 -19.074 1.00 1.00 O ATOM 1185 CB ASP A 76 -0.741 -2.202 -21.205 1.00 1.00 C ATOM 1186 CG ASP A 76 0.189 -2.858 -22.217 1.00 1.00 C ATOM 1187 OD1 ASP A 76 1.411 -2.987 -21.943 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -0.296 -3.220 -23.323 1.00 1.00 O ATOM 0 H ASP A 76 -2.431 -4.214 -20.875 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.000 -3.299 -19.509 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -1.699 -1.988 -21.678 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -0.320 -1.247 -20.891 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.468 -3.133 -18.071 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.370 -2.630 -17.082 1.00 1.00 C ATOM 1195 C GLU A 77 -3.538 -3.776 -16.145 1.00 1.00 C ATOM 1196 O GLU A 77 -3.666 -4.925 -16.565 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.733 -2.205 -17.654 1.00 1.00 C ATOM 1198 CG GLU A 77 -5.519 -1.234 -16.770 1.00 1.00 C ATOM 1199 CD GLU A 77 -4.900 0.157 -16.712 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -4.560 0.718 -17.787 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -4.784 0.758 -15.612 1.00 1.00 O ATOM 0 H GLU A 77 -2.328 -4.141 -18.003 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.976 -1.726 -16.617 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.575 -1.743 -18.628 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -5.338 -3.097 -17.819 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -6.539 -1.156 -17.145 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -5.581 -1.640 -15.760 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.540 -3.501 -14.828 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.989 -4.445 -13.853 1.00 1.00 C ATOM 1210 C TRP A 78 -5.364 -3.997 -13.487 1.00 1.00 C ATOM 1211 O TRP A 78 -5.643 -2.802 -13.414 1.00 1.00 O ATOM 1212 CB TRP A 78 -3.082 -4.506 -12.613 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.659 -4.983 -12.780 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.620 -4.363 -13.412 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -1.081 -6.089 -12.062 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.556 -5.024 -13.165 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.297 -6.071 -12.313 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.622 -7.019 -11.218 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.129 -6.974 -11.710 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.778 -7.907 -10.594 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.578 -7.873 -10.828 1.00 1.00 C ATOM 0 H TRP A 78 -3.226 -2.613 -14.436 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.970 -5.456 -14.259 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -3.047 -3.507 -12.179 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.565 -5.154 -11.882 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.711 -3.476 -14.021 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.469 -4.780 -13.549 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.688 -7.055 -11.046 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.188 -6.980 -11.921 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.184 -8.640 -9.912 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.222 -8.567 -10.308 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.306 -4.933 -13.272 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.639 -4.630 -12.851 1.00 1.00 C ATOM 1234 C ILE A 79 -7.757 -4.987 -11.409 1.00 1.00 C ATOM 1235 O ILE A 79 -6.996 -5.788 -10.869 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.699 -5.349 -13.631 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.779 -6.855 -13.330 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -8.486 -5.011 -15.117 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.748 -7.641 -14.211 1.00 1.00 C ATOM 0 H ILE A 79 -6.135 -5.931 -13.395 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.806 -3.567 -13.026 1.00 1.00 H new ATOM 0 HB ILE A 79 -9.684 -5.001 -13.321 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.783 -7.285 -13.439 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -9.071 -6.987 -12.288 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -9.241 -5.518 -15.717 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -8.571 -3.934 -15.261 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -7.494 -5.341 -15.427 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -9.733 -8.692 -13.921 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -10.756 -7.245 -14.087 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -9.448 -7.548 -15.255 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.770 -4.424 -10.726 1.00 1.00 N ATOM 1252 CA CYS A 80 -9.136 -4.884 -9.422 1.00 1.00 C ATOM 1253 C CYS A 80 -10.023 -6.074 -9.567 1.00 1.00 C ATOM 1254 O CYS A 80 -10.952 -6.024 -10.371 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.905 -3.798 -8.652 1.00 1.00 C ATOM 1256 SG CYS A 80 -9.011 -2.216 -8.633 1.00 1.00 S ATOM 0 H CYS A 80 -9.335 -3.651 -11.076 1.00 1.00 H new ATOM 0 HA CYS A 80 -8.228 -5.133 -8.872 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.885 -3.655 -9.108 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -10.075 -4.131 -7.628 1.00 1.00 H new ATOM 0 HG CYS A 80 -8.761 -1.873 -7.404 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.813 -7.177 -8.829 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.588 -8.374 -8.931 1.00 1.00 C ATOM 1264 C ASP A 81 -12.005 -8.181 -8.513 1.00 1.00 C ATOM 1265 O ASP A 81 -12.949 -8.655 -9.147 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.919 -9.447 -8.056 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.652 -10.780 -7.988 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -10.859 -11.437 -9.044 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.008 -11.211 -6.859 1.00 1.00 O ATOM 0 H ASP A 81 -9.072 -7.238 -8.131 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.618 -8.680 -9.977 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.912 -9.624 -8.433 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.816 -9.055 -7.044 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.181 -7.454 -7.396 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.426 -7.135 -6.768 1.00 1.00 C ATOM 1276 C ARG A 82 -14.250 -6.235 -7.622 1.00 1.00 C ATOM 1277 O ARG A 82 -13.979 -5.042 -7.746 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.066 -6.498 -5.414 1.00 1.00 C ATOM 1279 CG ARG A 82 -14.176 -6.363 -4.369 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.779 -7.694 -3.914 1.00 1.00 C ATOM 1281 NE ARG A 82 -15.689 -7.381 -2.776 1.00 1.00 N ATOM 1282 CZ ARG A 82 -16.889 -6.747 -2.917 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -17.560 -6.708 -4.105 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -17.400 -6.123 -1.816 1.00 1.00 N ATOM 0 H ARG A 82 -11.388 -7.058 -6.892 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.041 -8.023 -6.620 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.260 -7.084 -4.972 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -12.667 -5.503 -5.608 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.778 -5.842 -3.499 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -14.970 -5.739 -4.779 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -15.326 -8.170 -4.728 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -13.997 -8.388 -3.606 1.00 1.00 H new ATOM 0 HE ARG A 82 -15.398 -7.657 -1.838 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -17.166 -7.163 -4.928 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -18.455 -6.223 -4.169 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -16.887 -6.143 -0.934 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -18.294 -5.636 -1.875 1.00 1.00 H new ATOM 1298 N SER A 83 -15.255 -6.813 -8.303 1.00 1.00 N ATOM 1299 CA SER A 83 -16.098 -6.241 -9.307 1.00 1.00 C ATOM 1300 C SER A 83 -15.500 -6.182 -10.670 1.00 1.00 C ATOM 1301 O SER A 83 -16.180 -6.481 -11.650 1.00 1.00 O ATOM 1302 CB SER A 83 -16.763 -4.891 -8.991 1.00 1.00 C ATOM 1303 OG SER A 83 -17.438 -4.941 -7.742 1.00 1.00 O ATOM 0 H SER A 83 -15.501 -7.787 -8.129 1.00 1.00 H new ATOM 0 HA SER A 83 -16.897 -6.982 -9.296 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.008 -4.105 -8.970 1.00 1.00 H new ATOM 0 HB3 SER A 83 -17.469 -4.635 -9.781 1.00 1.00 H new ATOM 0 HG SER A 83 -17.853 -4.072 -7.559 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.221 -5.783 -10.801 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.569 -5.613 -12.062 1.00 1.00 C ATOM 1311 C GLY A 84 -13.315 -4.166 -12.305 1.00 1.00 C ATOM 1312 O GLY A 84 -14.090 -3.514 -13.004 1.00 1.00 O ATOM 0 H GLY A 84 -13.622 -5.572 -10.003 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -12.629 -6.164 -12.073 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.188 -6.023 -12.860 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.235 -3.606 -11.733 1.00 1.00 N ATOM 1317 CA GLU A 85 -12.000 -2.196 -11.769 1.00 1.00 C ATOM 1318 C GLU A 85 -10.657 -1.930 -12.353 1.00 1.00 C ATOM 1319 O GLU A 85 -10.276 -2.590 -13.319 1.00 1.00 O ATOM 1320 CB GLU A 85 -12.310 -1.446 -10.461 1.00 1.00 C ATOM 1321 CG GLU A 85 -13.693 -1.767 -9.892 1.00 1.00 C ATOM 1322 CD GLU A 85 -14.257 -0.732 -8.930 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -14.513 0.425 -9.358 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -14.553 -1.078 -7.754 1.00 1.00 O ATOM 0 H GLU A 85 -11.517 -4.137 -11.240 1.00 1.00 H new ATOM 0 HA GLU A 85 -12.741 -1.754 -12.435 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.552 -1.697 -9.719 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -12.239 -0.373 -10.640 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -14.390 -1.886 -10.721 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -13.642 -2.727 -9.378 1.00 1.00 H new ATOM 1331 N THR A 86 -9.864 -0.963 -11.854 1.00 1.00 N ATOM 1332 CA THR A 86 -8.678 -0.546 -12.535 1.00 1.00 C ATOM 1333 C THR A 86 -7.630 -0.166 -11.547 1.00 1.00 C ATOM 1334 O THR A 86 -7.901 0.637 -10.655 1.00 1.00 O ATOM 1335 CB THR A 86 -8.905 0.665 -13.391 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.945 0.446 -14.331 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.669 0.982 -14.249 1.00 1.00 C ATOM 0 H THR A 86 -10.045 -0.471 -10.979 1.00 1.00 H new ATOM 0 HA THR A 86 -8.375 -1.388 -13.157 1.00 1.00 H new ATOM 0 HB THR A 86 -9.142 1.471 -12.697 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.071 1.253 -14.873 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.865 1.865 -14.858 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.814 1.172 -13.600 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.450 0.135 -14.899 1.00 1.00 H new ATOM 1345 N PHE A 87 -6.394 -0.686 -11.648 1.00 1.00 N ATOM 1346 CA PHE A 87 -5.375 -0.529 -10.658 1.00 1.00 C ATOM 1347 C PHE A 87 -4.965 0.864 -10.320 1.00 1.00 C ATOM 1348 O PHE A 87 -5.401 1.411 -9.309 1.00 1.00 O ATOM 1349 CB PHE A 87 -4.190 -1.403 -11.102 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.930 -1.332 -10.310 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -2.930 -1.357 -8.935 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.734 -1.244 -10.983 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -1.748 -1.272 -8.239 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -0.545 -1.175 -10.295 1.00 1.00 C ATOM 1355 CZ PHE A 87 -0.555 -1.196 -8.921 1.00 1.00 C ATOM 0 H PHE A 87 -6.093 -1.238 -12.451 1.00 1.00 H new ATOM 0 HA PHE A 87 -5.795 -0.852 -9.706 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -4.524 -2.441 -11.105 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.951 -1.142 -12.133 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -3.864 -1.444 -8.399 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.728 -1.229 -12.063 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -1.755 -1.265 -7.159 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.390 -1.105 -10.831 1.00 1.00 H new ATOM 0 HZ PHE A 87 0.376 -1.153 -8.375 1.00 1.00 H new ATOM 1365 N TRP A 88 -4.081 1.496 -11.114 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.473 2.748 -10.789 1.00 1.00 C ATOM 1367 C TRP A 88 -4.445 3.877 -10.764 1.00 1.00 C ATOM 1368 O TRP A 88 -4.349 4.799 -9.955 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.273 3.116 -11.679 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.637 2.068 -12.561 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -2.189 1.333 -13.568 1.00 1.00 C ATOM 1372 CD2 TRP A 88 -0.228 1.765 -12.574 1.00 1.00 C ATOM 1373 NE1 TRP A 88 -1.231 0.576 -14.192 1.00 1.00 N ATOM 1374 CE2 TRP A 88 -0.018 0.834 -13.597 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.817 2.228 -11.822 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 1.236 0.360 -13.869 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.075 1.747 -12.104 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.281 0.831 -13.109 1.00 1.00 C ATOM 0 H TRP A 88 -3.780 1.121 -12.014 1.00 1.00 H new ATOM 0 HA TRP A 88 -3.092 2.593 -9.780 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.588 3.936 -12.325 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.493 3.507 -11.026 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -3.235 1.345 -13.837 1.00 1.00 H new ATOM 0 HE1 TRP A 88 -1.391 -0.069 -14.966 1.00 1.00 H new ATOM 0 HE3 TRP A 88 0.660 2.948 -11.032 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 1.400 -0.361 -14.656 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.917 2.096 -11.525 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.282 0.475 -13.305 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.451 3.816 -11.653 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.571 4.702 -11.724 1.00 1.00 C ATOM 1391 C ASP A 89 -7.416 4.734 -10.497 1.00 1.00 C ATOM 1392 O ASP A 89 -7.730 5.806 -9.983 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.368 4.348 -12.992 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.473 5.342 -13.314 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -8.188 6.537 -13.598 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -9.661 4.925 -13.276 1.00 1.00 O ATOM 0 H ASP A 89 -5.483 3.095 -12.374 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.199 5.725 -11.785 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -6.683 4.292 -13.838 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -7.806 3.357 -12.871 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.806 3.583 -9.921 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.590 3.563 -8.727 1.00 1.00 C ATOM 1403 C LEU A 90 -7.812 4.021 -7.541 1.00 1.00 C ATOM 1404 O LEU A 90 -8.272 4.798 -6.707 1.00 1.00 O ATOM 1405 CB LEU A 90 -9.166 2.166 -8.441 1.00 1.00 C ATOM 1406 CG LEU A 90 -10.103 2.098 -7.222 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -11.344 2.995 -7.361 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -10.538 0.650 -6.943 1.00 1.00 C ATOM 0 H LEU A 90 -7.576 2.659 -10.287 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.413 4.257 -8.899 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.711 1.825 -9.321 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -8.340 1.471 -8.288 1.00 1.00 H new ATOM 0 HG LEU A 90 -9.524 2.476 -6.379 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.963 2.901 -6.469 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -11.032 4.033 -7.478 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.919 2.688 -8.235 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -11.199 0.629 -6.077 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -11.065 0.255 -7.811 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -9.659 0.038 -6.743 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.545 3.575 -7.459 1.00 1.00 N ATOM 1421 CA LEU A 91 -5.530 4.052 -6.574 1.00 1.00 C ATOM 1422 C LEU A 91 -5.366 5.533 -6.591 1.00 1.00 C ATOM 1423 O LEU A 91 -5.282 6.172 -5.543 1.00 1.00 O ATOM 1424 CB LEU A 91 -4.199 3.358 -6.902 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.922 3.861 -6.209 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -2.925 3.618 -4.691 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.693 3.206 -6.860 1.00 1.00 C ATOM 0 H LEU A 91 -6.207 2.823 -8.059 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.849 3.802 -5.562 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -4.310 2.300 -6.666 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -4.043 3.430 -7.978 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.883 4.942 -6.343 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.997 3.995 -4.260 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -3.771 4.137 -4.241 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -3.009 2.549 -4.494 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.788 3.563 -6.369 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.760 2.123 -6.756 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -1.659 3.467 -7.918 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.353 6.163 -7.779 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.361 7.580 -7.963 1.00 1.00 C ATOM 1441 C GLU A 92 -6.557 8.241 -7.367 1.00 1.00 C ATOM 1442 O GLU A 92 -6.395 9.159 -6.565 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.193 7.984 -9.437 1.00 1.00 C ATOM 1444 CG GLU A 92 -4.937 9.476 -9.664 1.00 1.00 C ATOM 1445 CD GLU A 92 -6.125 10.238 -10.232 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -6.559 9.920 -11.372 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -6.603 11.202 -9.576 1.00 1.00 O ATOM 0 H GLU A 92 -5.336 5.653 -8.662 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.489 7.942 -7.418 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.365 7.418 -9.863 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.091 7.696 -9.984 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -4.648 9.931 -8.716 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.091 9.588 -10.342 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.790 7.779 -7.638 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.980 8.266 -7.012 1.00 1.00 C ATOM 1456 C GLN A 93 -8.942 8.250 -5.523 1.00 1.00 C ATOM 1457 O GLN A 93 -9.290 9.226 -4.861 1.00 1.00 O ATOM 1458 CB GLN A 93 -10.185 7.456 -7.522 1.00 1.00 C ATOM 1459 CG GLN A 93 -10.510 7.681 -9.001 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.651 6.800 -9.488 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -11.504 5.989 -10.401 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.858 6.982 -8.891 1.00 1.00 N ATOM 0 H GLN A 93 -7.965 7.039 -8.318 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.069 9.317 -7.288 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.990 6.396 -7.361 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -11.060 7.713 -6.926 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -10.771 8.728 -9.157 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -9.621 7.482 -9.599 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -12.956 7.660 -8.136 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -13.666 6.440 -9.198 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.479 7.147 -4.910 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.282 7.005 -3.501 1.00 1.00 C ATOM 1473 C ALA A 94 -7.274 7.927 -2.907 1.00 1.00 C ATOM 1474 O ALA A 94 -7.494 8.550 -1.871 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.886 5.545 -3.227 1.00 1.00 C ATOM 0 H ALA A 94 -8.228 6.305 -5.428 1.00 1.00 H new ATOM 0 HA ALA A 94 -9.221 7.278 -3.019 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.728 5.405 -2.158 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.682 4.882 -3.566 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.966 5.311 -3.763 1.00 1.00 H new ATOM 1481 N ALA A 95 -6.106 8.100 -3.554 1.00 1.00 N ATOM 1482 CA ALA A 95 -5.074 8.984 -3.107 1.00 1.00 C ATOM 1483 C ALA A 95 -5.410 10.429 -3.262 1.00 1.00 C ATOM 1484 O ALA A 95 -5.242 11.223 -2.340 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.784 8.657 -3.879 1.00 1.00 C ATOM 0 H ALA A 95 -5.873 7.608 -4.417 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.948 8.823 -2.036 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.985 9.322 -3.551 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.497 7.623 -3.687 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.954 8.794 -4.947 1.00 1.00 H new ATOM 1491 N THR A 96 -5.956 10.819 -4.427 1.00 1.00 N ATOM 1492 CA THR A 96 -6.456 12.115 -4.770 1.00 1.00 C ATOM 1493 C THR A 96 -7.525 12.578 -3.842 1.00 1.00 C ATOM 1494 O THR A 96 -7.642 13.762 -3.529 1.00 1.00 O ATOM 1495 CB THR A 96 -6.930 12.157 -6.193 1.00 1.00 C ATOM 1496 OG1 THR A 96 -5.842 11.932 -7.076 1.00 1.00 O ATOM 1497 CG2 THR A 96 -7.515 13.519 -6.604 1.00 1.00 C ATOM 0 H THR A 96 -6.056 10.163 -5.202 1.00 1.00 H new ATOM 0 HA THR A 96 -5.621 12.807 -4.665 1.00 1.00 H new ATOM 0 HB THR A 96 -7.701 11.389 -6.258 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.180 11.813 -7.988 1.00 1.00 H new ATOM 0 HG21 THR A 96 -7.838 13.477 -7.644 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.369 13.755 -5.969 1.00 1.00 H new ATOM 0 HG23 THR A 96 -6.754 14.291 -6.491 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.309 11.636 -3.285 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.223 11.861 -2.210 1.00 1.00 C ATOM 1507 C GLN A 97 -8.527 12.281 -0.961 1.00 1.00 C ATOM 1508 O GLN A 97 -8.620 13.423 -0.513 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.005 10.572 -1.909 1.00 1.00 C ATOM 1510 CG GLN A 97 -11.102 10.553 -0.841 1.00 1.00 C ATOM 1511 CD GLN A 97 -10.768 10.818 0.620 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -10.271 9.955 1.343 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.077 12.043 1.123 1.00 1.00 N ATOM 0 H GLN A 97 -8.304 10.667 -3.603 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.893 12.661 -2.525 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.463 10.249 -2.844 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -9.275 9.812 -1.632 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -11.851 11.287 -1.137 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -11.579 9.574 -0.889 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -11.489 12.754 0.518 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -10.897 12.251 2.105 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.834 11.313 -0.335 1.00 1.00 N ATOM 1523 CA GLN A 98 -7.271 11.439 0.974 1.00 1.00 C ATOM 1524 C GLN A 98 -6.102 12.350 1.116 1.00 1.00 C ATOM 1525 O GLN A 98 -5.731 12.702 2.234 1.00 1.00 O ATOM 1526 CB GLN A 98 -6.996 10.051 1.576 1.00 1.00 C ATOM 1527 CG GLN A 98 -5.839 9.285 0.930 1.00 1.00 C ATOM 1528 CD GLN A 98 -5.614 7.880 1.467 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -4.601 7.261 1.144 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -6.526 7.341 2.321 1.00 1.00 N ATOM 0 H GLN A 98 -7.658 10.402 -0.760 1.00 1.00 H new ATOM 0 HA GLN A 98 -8.041 11.950 1.552 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -6.786 10.167 2.639 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -7.901 9.450 1.494 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -6.020 9.222 -0.143 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -4.923 9.860 1.066 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -7.360 7.870 2.577 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -6.376 6.408 2.705 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.485 12.804 0.009 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.573 13.905 -0.025 1.00 1.00 C ATOM 1541 C ALA A 99 -5.264 15.198 -0.282 1.00 1.00 C ATOM 1542 O ALA A 99 -5.024 16.187 0.409 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.533 13.688 -1.138 1.00 1.00 C ATOM 0 H ALA A 99 -5.630 12.381 -0.908 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.095 13.952 0.953 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.841 14.530 -1.159 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.980 12.769 -0.945 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -4.040 13.611 -2.100 1.00 1.00 H new ATOM 1549 N GLY A 100 -6.146 15.258 -1.297 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.862 16.436 -1.679 1.00 1.00 C ATOM 1551 C GLY A 100 -6.447 17.010 -2.990 1.00 1.00 C ATOM 1552 O GLY A 100 -6.939 18.062 -3.393 1.00 1.00 O ATOM 0 H GLY A 100 -6.370 14.449 -1.877 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.926 16.203 -1.719 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.730 17.193 -0.906 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.532 16.335 -3.708 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.984 16.775 -4.952 1.00 1.00 C ATOM 1558 C GLU A 101 -4.360 15.583 -5.592 1.00 1.00 C ATOM 1559 O GLU A 101 -4.181 14.570 -4.918 1.00 1.00 O ATOM 1560 CB GLU A 101 -3.940 17.891 -4.781 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.746 17.531 -3.895 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.723 18.657 -3.837 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -2.068 19.772 -3.360 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -0.550 18.422 -4.231 1.00 1.00 O ATOM 0 H GLU A 101 -5.156 15.437 -3.405 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.778 17.200 -5.566 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.569 18.175 -5.766 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -4.433 18.768 -4.361 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -3.096 17.306 -2.888 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.270 16.627 -4.276 1.00 1.00 H new ATOM 1571 N THR A 102 -4.012 15.614 -6.891 1.00 1.00 N ATOM 1572 CA THR A 102 -3.541 14.451 -7.578 1.00 1.00 C ATOM 1573 C THR A 102 -2.178 14.024 -7.154 1.00 1.00 C ATOM 1574 O THR A 102 -1.203 14.767 -7.249 1.00 1.00 O ATOM 1575 CB THR A 102 -3.575 14.492 -9.076 1.00 1.00 C ATOM 1576 OG1 THR A 102 -4.909 14.672 -9.531 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.094 13.191 -9.740 1.00 1.00 C ATOM 0 H THR A 102 -4.058 16.452 -7.470 1.00 1.00 H new ATOM 0 HA THR A 102 -4.286 13.718 -7.268 1.00 1.00 H new ATOM 0 HB THR A 102 -2.912 15.313 -9.348 1.00 1.00 H new ATOM 0 HG1 THR A 102 -4.920 14.699 -10.511 1.00 1.00 H new ATOM 0 HG21 THR A 102 -3.146 13.295 -10.824 1.00 1.00 H new ATOM 0 HG22 THR A 102 -2.064 12.991 -9.444 1.00 1.00 H new ATOM 0 HG23 THR A 102 -3.730 12.364 -9.423 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.108 12.770 -6.673 1.00 1.00 N ATOM 1586 CA VAL A 103 -0.947 12.093 -6.187 1.00 1.00 C ATOM 1587 C VAL A 103 -0.403 11.211 -7.258 1.00 1.00 C ATOM 1588 O VAL A 103 -1.079 10.312 -7.756 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.320 11.263 -4.993 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.139 10.401 -4.516 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.787 12.177 -3.848 1.00 1.00 C ATOM 0 H VAL A 103 -2.938 12.180 -6.621 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.190 12.823 -5.900 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.130 10.596 -5.288 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.444 9.813 -3.650 1.00 1.00 H new ATOM 0 HG12 VAL A 103 0.170 9.732 -5.319 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.695 11.047 -4.241 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -2.056 11.569 -2.984 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.982 12.859 -3.575 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.655 12.752 -4.172 1.00 1.00 H new ATOM 1601 N SER A 104 0.867 11.452 -7.633 1.00 1.00 N ATOM 1602 CA SER A 104 1.607 10.879 -8.714 1.00 1.00 C ATOM 1603 C SER A 104 1.920 9.429 -8.581 1.00 1.00 C ATOM 1604 O SER A 104 2.505 8.994 -7.591 1.00 1.00 O ATOM 1605 CB SER A 104 2.952 11.603 -8.895 1.00 1.00 C ATOM 1606 OG SER A 104 2.754 12.996 -9.083 1.00 1.00 O ATOM 0 H SER A 104 1.435 12.125 -7.118 1.00 1.00 H new ATOM 0 HA SER A 104 0.941 10.999 -9.569 1.00 1.00 H new ATOM 0 HB2 SER A 104 3.581 11.435 -8.021 1.00 1.00 H new ATOM 0 HB3 SER A 104 3.481 11.187 -9.753 1.00 1.00 H new ATOM 0 HG SER A 104 3.622 13.438 -9.194 1.00 1.00 H new ATOM 1612 N PHE A 105 1.532 8.591 -9.561 1.00 1.00 N ATOM 1613 CA PHE A 105 1.318 7.193 -9.354 1.00 1.00 C ATOM 1614 C PHE A 105 1.805 6.373 -10.501 1.00 1.00 C ATOM 1615 O PHE A 105 2.625 5.470 -10.343 1.00 1.00 O ATOM 1616 CB PHE A 105 -0.174 7.009 -9.035 1.00 1.00 C ATOM 1617 CG PHE A 105 -1.110 7.455 -10.105 1.00 1.00 C ATOM 1618 CD1 PHE A 105 -1.189 8.754 -10.548 1.00 1.00 C ATOM 1619 CD2 PHE A 105 -1.846 6.501 -10.768 1.00 1.00 C ATOM 1620 CE1 PHE A 105 -1.856 9.074 -11.707 1.00 1.00 C ATOM 1621 CE2 PHE A 105 -2.572 6.816 -11.892 1.00 1.00 C ATOM 1622 CZ PHE A 105 -2.557 8.100 -12.381 1.00 1.00 C ATOM 0 H PHE A 105 1.363 8.894 -10.520 1.00 1.00 H new ATOM 0 HA PHE A 105 1.907 6.826 -8.513 1.00 1.00 H new ATOM 0 HB2 PHE A 105 -0.358 5.954 -8.829 1.00 1.00 H new ATOM 0 HB3 PHE A 105 -0.404 7.557 -8.121 1.00 1.00 H new ATOM 0 HD1 PHE A 105 -0.718 9.539 -9.974 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -1.854 5.486 -10.399 1.00 1.00 H new ATOM 0 HE1 PHE A 105 -1.830 10.085 -12.087 1.00 1.00 H new ATOM 0 HE2 PHE A 105 -3.154 6.055 -12.390 1.00 1.00 H new ATOM 0 HZ PHE A 105 -3.091 8.343 -13.288 1.00 1.00 H new ATOM 1632 N ARG A 106 1.314 6.658 -11.720 1.00 1.00 N ATOM 1633 CA ARG A 106 1.534 5.885 -12.901 1.00 1.00 C ATOM 1634 C ARG A 106 2.560 6.548 -13.807 1.00 1.00 C ATOM 1635 O ARG A 106 2.386 7.745 -14.166 1.00 1.00 O ATOM 1636 CB ARG A 106 0.174 5.781 -13.612 1.00 1.00 C ATOM 1637 CG ARG A 106 0.170 4.925 -14.882 1.00 1.00 C ATOM 1638 CD ARG A 106 -1.183 4.956 -15.594 1.00 1.00 C ATOM 1639 NE ARG A 106 -1.222 3.825 -16.563 1.00 1.00 N ATOM 1640 CZ ARG A 106 -2.265 2.949 -16.667 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -3.458 3.124 -16.026 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -2.105 1.828 -17.428 1.00 1.00 N ATOM 1643 OXT ARG A 106 3.554 5.872 -14.183 1.00 1.00 O ATOM 0 H ARG A 106 0.729 7.476 -11.890 1.00 1.00 H new ATOM 0 HA ARG A 106 1.928 4.900 -12.651 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -0.554 5.370 -12.913 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -0.163 6.786 -13.868 1.00 1.00 H new ATOM 0 HG2 ARG A 106 0.944 5.282 -15.561 1.00 1.00 H new ATOM 0 HG3 ARG A 106 0.420 3.896 -14.625 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -1.995 4.867 -14.872 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -1.319 5.906 -16.112 1.00 1.00 H new ATOM 0 HE ARG A 106 -0.424 3.697 -17.185 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -3.604 3.942 -15.434 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -4.204 2.437 -16.140 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -1.220 1.658 -17.905 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -2.871 1.160 -17.520 1.00 1.00 H new