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 64 THR OG1 : rot -151:sc= 0.0473 USER MOD Set 1.2: A 66 GLN : amide:sc= 1.06 K(o=2.3,f=0.12) USER MOD Set 1.3: A 69 TYR OH : rot 6:sc= 1.19 USER MOD Single : A 2 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 12 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc=-0.00378 USER MOD Single : A 35 ASN : amide:sc= -0.0067 X(o=-0.0067,f=-0.23) USER MOD Single : A 40 THR OG1 : rot 131:sc= 0.817 USER MOD Single : A 42 THR OG1 : rot -28:sc= 1.12 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.0951 K(o=0.095,f=-4.1!) USER MOD Single : A 54 GLN : amide:sc= -0.0305 K(o=-0.03,f=-1.2) USER MOD Single : A 58 HIS : no HD1:sc= -0.0288 K(o=-0.029,f=-1.4) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0034) USER MOD Single : A 70 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.36) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -120:sc= -0.824 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -23:sc= 1.05 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 97 GLN : amide:sc= -0.0969 X(o=-0.097,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.0509 K(o=0.051,f=-0.94) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 3.007 -19.487 -10.796 1.00 1.00 N ATOM 18 CA ASN A 2 4.017 -18.757 -11.498 1.00 1.00 C ATOM 19 C ASN A 2 4.580 -17.687 -10.626 1.00 1.00 C ATOM 20 O ASN A 2 4.594 -16.504 -10.963 1.00 1.00 O ATOM 21 CB ASN A 2 3.400 -18.183 -12.785 1.00 1.00 C ATOM 22 CG ASN A 2 4.438 -17.951 -13.874 1.00 1.00 C ATOM 23 OD1 ASN A 2 5.624 -18.252 -13.749 1.00 1.00 O ATOM 24 ND2 ASN A 2 3.956 -17.422 -15.030 1.00 1.00 N ATOM 0 HA ASN A 2 4.843 -19.414 -11.769 1.00 1.00 H new ATOM 0 HB2 ASN A 2 2.636 -18.867 -13.155 1.00 1.00 H new ATOM 0 HB3 ASN A 2 2.901 -17.241 -12.557 1.00 1.00 H new ATOM 0 HD21 ASN A 2 4.582 -17.266 -15.820 1.00 1.00 H new ATOM 0 HD22 ASN A 2 2.968 -17.181 -15.108 1.00 1.00 H new ATOM 31 N ASP A 3 5.094 -18.074 -9.446 1.00 1.00 N ATOM 32 CA ASP A 3 5.612 -17.211 -8.428 1.00 1.00 C ATOM 33 C ASP A 3 6.817 -16.434 -8.828 1.00 1.00 C ATOM 34 O ASP A 3 6.999 -15.298 -8.389 1.00 1.00 O ATOM 35 CB ASP A 3 5.807 -17.928 -7.081 1.00 1.00 C ATOM 36 CG ASP A 3 6.144 -19.408 -7.181 1.00 1.00 C ATOM 37 OD1 ASP A 3 5.293 -20.179 -7.700 1.00 1.00 O ATOM 38 OD2 ASP A 3 7.214 -19.827 -6.665 1.00 1.00 O ATOM 0 H ASP A 3 5.152 -19.058 -9.185 1.00 1.00 H new ATOM 0 HA ASP A 3 4.829 -16.466 -8.286 1.00 1.00 H new ATOM 0 HB2 ASP A 3 6.604 -17.426 -6.532 1.00 1.00 H new ATOM 0 HB3 ASP A 3 4.896 -17.818 -6.493 1.00 1.00 H new ATOM 43 N SER A 4 7.672 -16.966 -9.720 1.00 1.00 N ATOM 44 CA SER A 4 8.802 -16.270 -10.253 1.00 1.00 C ATOM 45 C SER A 4 8.444 -15.094 -11.095 1.00 1.00 C ATOM 46 O SER A 4 8.974 -13.999 -10.913 1.00 1.00 O ATOM 47 CB SER A 4 9.753 -17.190 -11.035 1.00 1.00 C ATOM 48 OG SER A 4 9.087 -17.913 -12.060 1.00 1.00 O ATOM 0 H SER A 4 7.573 -17.914 -10.083 1.00 1.00 H new ATOM 0 HA SER A 4 9.321 -15.897 -9.370 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.551 -16.593 -11.476 1.00 1.00 H new ATOM 0 HB3 SER A 4 10.223 -17.892 -10.346 1.00 1.00 H new ATOM 0 HG SER A 4 9.731 -18.482 -12.530 1.00 1.00 H new ATOM 54 N GLU A 5 7.487 -15.245 -12.028 1.00 1.00 N ATOM 55 CA GLU A 5 7.011 -14.173 -12.847 1.00 1.00 C ATOM 56 C GLU A 5 6.254 -13.150 -12.073 1.00 1.00 C ATOM 57 O GLU A 5 6.503 -11.954 -12.204 1.00 1.00 O ATOM 58 CB GLU A 5 6.147 -14.666 -14.021 1.00 1.00 C ATOM 59 CG GLU A 5 5.778 -13.540 -14.988 1.00 1.00 C ATOM 60 CD GLU A 5 5.110 -14.086 -16.243 1.00 1.00 C ATOM 61 OE1 GLU A 5 3.924 -14.503 -16.170 1.00 1.00 O ATOM 62 OE2 GLU A 5 5.771 -14.094 -17.316 1.00 1.00 O ATOM 0 H GLU A 5 7.031 -16.137 -12.218 1.00 1.00 H new ATOM 0 HA GLU A 5 7.910 -13.706 -13.249 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.685 -15.444 -14.562 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.236 -15.120 -13.632 1.00 1.00 H new ATOM 0 HG2 GLU A 5 5.108 -12.837 -14.493 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.675 -12.985 -15.263 1.00 1.00 H new ATOM 69 N PHE A 6 5.352 -13.591 -11.178 1.00 1.00 N ATOM 70 CA PHE A 6 4.717 -12.757 -10.205 1.00 1.00 C ATOM 71 C PHE A 6 5.661 -11.921 -9.410 1.00 1.00 C ATOM 72 O PHE A 6 5.496 -10.703 -9.348 1.00 1.00 O ATOM 73 CB PHE A 6 3.844 -13.659 -9.316 1.00 1.00 C ATOM 74 CG PHE A 6 3.071 -12.882 -8.308 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.300 -11.813 -8.702 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.172 -13.194 -6.974 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.665 -11.034 -7.764 1.00 1.00 C ATOM 78 CE2 PHE A 6 2.524 -12.429 -6.033 1.00 1.00 C ATOM 79 CZ PHE A 6 1.782 -11.341 -6.428 1.00 1.00 C ATOM 0 H PHE A 6 5.054 -14.565 -11.130 1.00 1.00 H new ATOM 0 HA PHE A 6 4.102 -12.023 -10.725 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.154 -14.224 -9.943 1.00 1.00 H new ATOM 0 HB3 PHE A 6 4.477 -14.384 -8.805 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.193 -11.585 -9.752 1.00 1.00 H new ATOM 0 HD2 PHE A 6 3.762 -14.043 -6.663 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.076 -10.184 -8.075 1.00 1.00 H new ATOM 0 HE2 PHE A 6 2.598 -12.682 -4.986 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.290 -10.726 -5.688 1.00 1.00 H new ATOM 89 N HIS A 7 6.735 -12.497 -8.842 1.00 1.00 N ATOM 90 CA HIS A 7 7.758 -11.782 -8.146 1.00 1.00 C ATOM 91 C HIS A 7 8.487 -10.785 -8.979 1.00 1.00 C ATOM 92 O HIS A 7 8.745 -9.683 -8.494 1.00 1.00 O ATOM 93 CB HIS A 7 8.716 -12.773 -7.462 1.00 1.00 C ATOM 94 CG HIS A 7 10.146 -12.371 -7.260 1.00 1.00 C ATOM 95 ND1 HIS A 7 10.595 -11.244 -6.624 1.00 1.00 N ATOM 96 CD2 HIS A 7 11.243 -13.013 -7.745 1.00 1.00 C ATOM 97 CE1 HIS A 7 11.911 -11.200 -6.717 1.00 1.00 C ATOM 98 NE2 HIS A 7 12.329 -12.256 -7.391 1.00 1.00 N ATOM 0 H HIS A 7 6.897 -13.504 -8.869 1.00 1.00 H new ATOM 0 HA HIS A 7 7.258 -11.182 -7.386 1.00 1.00 H new ATOM 0 HB2 HIS A 7 8.299 -13.014 -6.484 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.711 -13.693 -8.046 1.00 1.00 H new ATOM 0 HD1 HIS A 7 10.009 -10.553 -6.156 1.00 1.00 H new ATOM 0 HD2 HIS A 7 11.256 -13.939 -8.301 1.00 1.00 H new ATOM 0 HE1 HIS A 7 12.543 -10.426 -6.308 1.00 1.00 H new ATOM 106 N ARG A 8 8.792 -11.055 -10.260 1.00 1.00 N ATOM 107 CA ARG A 8 9.355 -10.086 -11.149 1.00 1.00 C ATOM 108 C ARG A 8 8.510 -8.862 -11.256 1.00 1.00 C ATOM 109 O ARG A 8 8.944 -7.753 -10.949 1.00 1.00 O ATOM 110 CB ARG A 8 9.570 -10.649 -12.564 1.00 1.00 C ATOM 111 CG ARG A 8 11.003 -11.079 -12.888 1.00 1.00 C ATOM 112 CD ARG A 8 11.436 -12.443 -12.347 1.00 1.00 C ATOM 113 NE ARG A 8 12.892 -12.587 -12.627 1.00 1.00 N ATOM 114 CZ ARG A 8 13.451 -12.943 -13.819 1.00 1.00 C ATOM 115 NH1 ARG A 8 12.714 -13.330 -14.902 1.00 1.00 N ATOM 116 NH2 ARG A 8 14.811 -12.912 -13.939 1.00 1.00 N ATOM 0 H ARG A 8 8.644 -11.969 -10.689 1.00 1.00 H new ATOM 0 HA ARG A 8 10.319 -9.824 -10.714 1.00 1.00 H new ATOM 0 HB2 ARG A 8 8.912 -11.507 -12.699 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.263 -9.894 -13.288 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.122 -11.086 -13.971 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.684 -10.323 -12.497 1.00 1.00 H new ATOM 0 HD2 ARG A 8 11.242 -12.511 -11.277 1.00 1.00 H new ATOM 0 HD3 ARG A 8 10.871 -13.243 -12.825 1.00 1.00 H new ATOM 0 HE ARG A 8 13.531 -12.402 -11.854 1.00 1.00 H new ATOM 0 HH11 ARG A 8 11.696 -13.362 -14.841 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.181 -13.587 -15.772 1.00 1.00 H new ATOM 0 HH21 ARG A 8 15.387 -12.627 -13.147 1.00 1.00 H new ATOM 0 HH22 ARG A 8 15.251 -13.174 -14.821 1.00 1.00 H new ATOM 130 N LEU A 9 7.234 -9.023 -11.646 1.00 1.00 N ATOM 131 CA LEU A 9 6.307 -7.948 -11.812 1.00 1.00 C ATOM 132 C LEU A 9 5.992 -7.215 -10.553 1.00 1.00 C ATOM 133 O LEU A 9 5.929 -5.987 -10.528 1.00 1.00 O ATOM 134 CB LEU A 9 5.008 -8.508 -12.417 1.00 1.00 C ATOM 135 CG LEU A 9 5.148 -9.191 -13.788 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.823 -9.865 -14.183 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.587 -8.215 -14.892 1.00 1.00 C ATOM 0 H LEU A 9 6.832 -9.937 -11.854 1.00 1.00 H new ATOM 0 HA LEU A 9 6.781 -7.222 -12.472 1.00 1.00 H new ATOM 0 HB2 LEU A 9 4.583 -9.226 -11.716 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.292 -7.692 -12.510 1.00 1.00 H new ATOM 0 HG LEU A 9 5.931 -9.943 -13.690 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.935 -10.345 -15.155 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.559 -10.614 -13.437 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.035 -9.114 -14.238 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.670 -8.750 -15.838 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.849 -7.419 -14.989 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.554 -7.784 -14.633 1.00 1.00 H new ATOM 149 N ALA A 10 5.809 -7.940 -9.435 1.00 1.00 N ATOM 150 CA ALA A 10 5.491 -7.410 -8.146 1.00 1.00 C ATOM 151 C ALA A 10 6.572 -6.598 -7.521 1.00 1.00 C ATOM 152 O ALA A 10 6.313 -5.542 -6.945 1.00 1.00 O ATOM 153 CB ALA A 10 5.040 -8.559 -7.228 1.00 1.00 C ATOM 0 H ALA A 10 5.888 -8.957 -9.432 1.00 1.00 H new ATOM 0 HA ALA A 10 4.677 -6.699 -8.288 1.00 1.00 H new ATOM 0 HB1 ALA A 10 4.796 -8.163 -6.242 1.00 1.00 H new ATOM 0 HB2 ALA A 10 4.160 -9.041 -7.654 1.00 1.00 H new ATOM 0 HB3 ALA A 10 5.845 -9.289 -7.136 1.00 1.00 H new ATOM 159 N ASP A 11 7.844 -7.022 -7.621 1.00 1.00 N ATOM 160 CA ASP A 11 8.982 -6.261 -7.205 1.00 1.00 C ATOM 161 C ASP A 11 9.173 -5.041 -8.038 1.00 1.00 C ATOM 162 O ASP A 11 9.489 -3.969 -7.526 1.00 1.00 O ATOM 163 CB ASP A 11 10.247 -7.134 -7.213 1.00 1.00 C ATOM 164 CG ASP A 11 10.366 -8.022 -5.983 1.00 1.00 C ATOM 165 OD1 ASP A 11 9.514 -8.916 -5.735 1.00 1.00 O ATOM 166 OD2 ASP A 11 11.368 -7.851 -5.240 1.00 1.00 O ATOM 0 H ASP A 11 8.090 -7.933 -8.008 1.00 1.00 H new ATOM 0 HA ASP A 11 8.796 -5.926 -6.185 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.245 -7.759 -8.106 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.125 -6.491 -7.276 1.00 1.00 H new ATOM 171 N GLN A 12 8.942 -5.115 -9.361 1.00 1.00 N ATOM 172 CA GLN A 12 8.896 -3.968 -10.214 1.00 1.00 C ATOM 173 C GLN A 12 7.915 -2.914 -9.832 1.00 1.00 C ATOM 174 O GLN A 12 8.304 -1.757 -9.673 1.00 1.00 O ATOM 175 CB GLN A 12 8.731 -4.322 -11.702 1.00 1.00 C ATOM 176 CG GLN A 12 10.004 -4.948 -12.276 1.00 1.00 C ATOM 177 CD GLN A 12 10.274 -4.553 -13.720 1.00 1.00 C ATOM 178 OE1 GLN A 12 10.345 -5.398 -14.612 1.00 1.00 O ATOM 179 NE2 GLN A 12 10.451 -3.228 -13.973 1.00 1.00 N ATOM 0 H GLN A 12 8.783 -5.996 -9.851 1.00 1.00 H new ATOM 0 HA GLN A 12 9.883 -3.531 -10.060 1.00 1.00 H new ATOM 0 HB2 GLN A 12 7.898 -5.015 -11.822 1.00 1.00 H new ATOM 0 HB3 GLN A 12 8.481 -3.423 -12.265 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.854 -4.652 -11.661 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.927 -6.033 -12.212 1.00 1.00 H new ATOM 0 HE21 GLN A 12 10.386 -2.551 -13.213 1.00 1.00 H new ATOM 0 HE22 GLN A 12 10.648 -2.912 -14.923 1.00 1.00 H new ATOM 188 N LEU A 13 6.622 -3.233 -9.652 1.00 1.00 N ATOM 189 CA LEU A 13 5.635 -2.271 -9.273 1.00 1.00 C ATOM 190 C LEU A 13 5.848 -1.665 -7.928 1.00 1.00 C ATOM 191 O LEU A 13 5.718 -0.451 -7.779 1.00 1.00 O ATOM 192 CB LEU A 13 4.214 -2.819 -9.492 1.00 1.00 C ATOM 193 CG LEU A 13 3.768 -4.097 -8.764 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.158 -3.827 -7.379 1.00 1.00 C ATOM 195 CD2 LEU A 13 2.737 -4.858 -9.614 1.00 1.00 C ATOM 0 H LEU A 13 6.255 -4.177 -9.772 1.00 1.00 H new ATOM 0 HA LEU A 13 5.758 -1.423 -9.947 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.515 -2.028 -9.219 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.095 -2.995 -10.561 1.00 1.00 H new ATOM 0 HG LEU A 13 4.670 -4.692 -8.618 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.865 -4.771 -6.920 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.895 -3.330 -6.748 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.282 -3.188 -7.486 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.428 -5.762 -9.089 1.00 1.00 H new ATOM 0 HD22 LEU A 13 1.868 -4.223 -9.786 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.183 -5.129 -10.571 1.00 1.00 H new ATOM 207 N TRP A 14 6.282 -2.445 -6.921 1.00 1.00 N ATOM 208 CA TRP A 14 6.744 -1.966 -5.656 1.00 1.00 C ATOM 209 C TRP A 14 7.760 -0.879 -5.739 1.00 1.00 C ATOM 210 O TRP A 14 7.639 0.167 -5.103 1.00 1.00 O ATOM 211 CB TRP A 14 7.353 -3.103 -4.819 1.00 1.00 C ATOM 212 CG TRP A 14 6.432 -3.856 -3.889 1.00 1.00 C ATOM 213 CD1 TRP A 14 5.071 -3.861 -3.779 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.922 -4.695 -2.827 1.00 1.00 C ATOM 215 NE1 TRP A 14 4.686 -4.626 -2.710 1.00 1.00 N ATOM 216 CE2 TRP A 14 5.809 -5.132 -2.100 1.00 1.00 C ATOM 217 CE3 TRP A 14 8.189 -5.075 -2.473 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.961 -5.945 -1.009 1.00 1.00 C ATOM 219 CZ3 TRP A 14 8.327 -5.908 -1.388 1.00 1.00 C ATOM 220 CH2 TRP A 14 7.235 -6.328 -0.664 1.00 1.00 C ATOM 0 H TRP A 14 6.312 -3.462 -6.994 1.00 1.00 H new ATOM 0 HA TRP A 14 5.850 -1.557 -5.186 1.00 1.00 H new ATOM 0 HB2 TRP A 14 7.800 -3.823 -5.505 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.164 -2.684 -4.223 1.00 1.00 H new ATOM 0 HD1 TRP A 14 4.396 -3.337 -4.439 1.00 1.00 H new ATOM 0 HE1 TRP A 14 3.724 -4.793 -2.415 1.00 1.00 H new ATOM 0 HE3 TRP A 14 9.050 -4.732 -3.027 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.106 -6.275 -0.437 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 9.313 -6.240 -1.098 1.00 1.00 H new ATOM 0 HH2 TRP A 14 7.382 -6.971 0.191 1.00 1.00 H new ATOM 231 N LEU A 15 8.806 -1.090 -6.560 1.00 1.00 N ATOM 232 CA LEU A 15 9.830 -0.128 -6.820 1.00 1.00 C ATOM 233 C LEU A 15 9.326 1.125 -7.452 1.00 1.00 C ATOM 234 O LEU A 15 9.571 2.215 -6.939 1.00 1.00 O ATOM 235 CB LEU A 15 10.944 -0.760 -7.670 1.00 1.00 C ATOM 236 CG LEU A 15 12.181 0.122 -7.908 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.884 0.511 -6.597 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.171 -0.598 -8.841 1.00 1.00 C ATOM 0 H LEU A 15 8.942 -1.967 -7.062 1.00 1.00 H new ATOM 0 HA LEU A 15 10.232 0.169 -5.852 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.266 -1.683 -7.187 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.525 -1.036 -8.638 1.00 1.00 H new ATOM 0 HG LEU A 15 11.835 1.043 -8.377 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.751 1.133 -6.820 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.192 1.066 -5.964 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.208 -0.390 -6.077 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.044 0.035 -9.003 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.484 -1.537 -8.385 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.688 -0.802 -9.797 1.00 1.00 H new ATOM 250 N THR A 16 8.559 1.028 -8.552 1.00 1.00 N ATOM 251 CA THR A 16 7.955 2.123 -9.245 1.00 1.00 C ATOM 252 C THR A 16 7.065 2.961 -8.394 1.00 1.00 C ATOM 253 O THR A 16 7.133 4.188 -8.442 1.00 1.00 O ATOM 254 CB THR A 16 7.223 1.698 -10.483 1.00 1.00 C ATOM 255 OG1 THR A 16 8.154 1.315 -11.486 1.00 1.00 O ATOM 256 CG2 THR A 16 6.367 2.799 -11.132 1.00 1.00 C ATOM 0 H THR A 16 8.348 0.128 -8.984 1.00 1.00 H new ATOM 0 HA THR A 16 8.801 2.744 -9.539 1.00 1.00 H new ATOM 0 HB THR A 16 6.573 0.890 -10.148 1.00 1.00 H new ATOM 0 HG1 THR A 16 7.671 1.037 -12.292 1.00 1.00 H new ATOM 0 HG21 THR A 16 5.875 2.402 -12.020 1.00 1.00 H new ATOM 0 HG22 THR A 16 5.614 3.140 -10.422 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.005 3.636 -11.415 1.00 1.00 H new ATOM 264 N ILE A 17 6.219 2.355 -7.540 1.00 1.00 N ATOM 265 CA ILE A 17 5.419 3.041 -6.575 1.00 1.00 C ATOM 266 C ILE A 17 6.224 3.838 -5.606 1.00 1.00 C ATOM 267 O ILE A 17 5.959 5.026 -5.421 1.00 1.00 O ATOM 268 CB ILE A 17 4.466 2.115 -5.879 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.444 1.544 -6.877 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.712 2.843 -4.752 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.671 0.348 -6.323 1.00 1.00 C ATOM 0 H ILE A 17 6.088 1.344 -7.523 1.00 1.00 H new ATOM 0 HA ILE A 17 4.824 3.761 -7.137 1.00 1.00 H new ATOM 0 HB ILE A 17 5.052 1.303 -5.449 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.739 2.328 -7.155 1.00 1.00 H new ATOM 0 HG13 ILE A 17 3.963 1.244 -7.788 1.00 1.00 H new ATOM 0 HG21 ILE A 17 3.028 2.149 -4.264 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.427 3.222 -4.021 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.146 3.675 -5.171 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.966 -0.009 -7.074 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.368 -0.451 -6.071 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.126 0.650 -5.428 1.00 1.00 H new ATOM 283 N GLU A 18 7.263 3.262 -4.975 1.00 1.00 N ATOM 284 CA GLU A 18 8.064 3.982 -4.035 1.00 1.00 C ATOM 285 C GLU A 18 8.782 5.133 -4.653 1.00 1.00 C ATOM 286 O GLU A 18 8.710 6.259 -4.163 1.00 1.00 O ATOM 287 CB GLU A 18 9.094 3.108 -3.302 1.00 1.00 C ATOM 288 CG GLU A 18 9.747 3.833 -2.123 1.00 1.00 C ATOM 289 CD GLU A 18 10.767 3.029 -1.327 1.00 1.00 C ATOM 290 OE1 GLU A 18 10.819 1.772 -1.407 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.569 3.680 -0.605 1.00 1.00 O ATOM 0 H GLU A 18 7.549 2.293 -5.117 1.00 1.00 H new ATOM 0 HA GLU A 18 7.341 4.349 -3.307 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.606 2.202 -2.942 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.866 2.796 -4.005 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.236 4.731 -2.500 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.961 4.160 -1.443 1.00 1.00 H new ATOM 298 N GLU A 19 9.452 4.889 -5.795 1.00 1.00 N ATOM 299 CA GLU A 19 10.081 5.857 -6.636 1.00 1.00 C ATOM 300 C GLU A 19 9.225 7.031 -6.967 1.00 1.00 C ATOM 301 O GLU A 19 9.570 8.164 -6.638 1.00 1.00 O ATOM 302 CB GLU A 19 10.552 5.224 -7.956 1.00 1.00 C ATOM 303 CG GLU A 19 11.923 4.549 -7.889 1.00 1.00 C ATOM 304 CD GLU A 19 13.065 5.553 -7.902 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.163 6.360 -8.865 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.914 5.516 -6.971 1.00 1.00 O ATOM 0 H GLU A 19 9.560 3.941 -6.155 1.00 1.00 H new ATOM 0 HA GLU A 19 10.926 6.217 -6.049 1.00 1.00 H new ATOM 0 HB2 GLU A 19 9.814 4.487 -8.273 1.00 1.00 H new ATOM 0 HB3 GLU A 19 10.580 5.997 -8.724 1.00 1.00 H new ATOM 0 HG2 GLU A 19 11.984 3.945 -6.983 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.032 3.868 -8.734 1.00 1.00 H new ATOM 313 N ARG A 20 8.063 6.816 -7.609 1.00 1.00 N ATOM 314 CA ARG A 20 7.199 7.872 -8.037 1.00 1.00 C ATOM 315 C ARG A 20 6.653 8.693 -6.919 1.00 1.00 C ATOM 316 O ARG A 20 6.551 9.913 -7.033 1.00 1.00 O ATOM 317 CB ARG A 20 6.058 7.352 -8.927 1.00 1.00 C ATOM 318 CG ARG A 20 5.271 8.414 -9.695 1.00 1.00 C ATOM 319 CD ARG A 20 5.928 8.988 -10.954 1.00 1.00 C ATOM 320 NE ARG A 20 6.959 9.998 -10.585 1.00 1.00 N ATOM 321 CZ ARG A 20 6.752 11.347 -10.532 1.00 1.00 C ATOM 322 NH1 ARG A 20 5.523 11.909 -10.723 1.00 1.00 N ATOM 323 NH2 ARG A 20 7.809 12.178 -10.302 1.00 1.00 N ATOM 0 H ARG A 20 7.715 5.884 -7.836 1.00 1.00 H new ATOM 0 HA ARG A 20 7.833 8.533 -8.628 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.477 6.648 -9.646 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.362 6.793 -8.302 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.310 7.985 -9.979 1.00 1.00 H new ATOM 0 HG3 ARG A 20 5.062 9.240 -9.015 1.00 1.00 H new ATOM 0 HD2 ARG A 20 6.386 8.185 -11.532 1.00 1.00 H new ATOM 0 HD3 ARG A 20 5.171 9.447 -11.590 1.00 1.00 H new ATOM 0 HE ARG A 20 7.892 9.656 -10.354 1.00 1.00 H new ATOM 0 HH11 ARG A 20 4.715 11.316 -10.914 1.00 1.00 H new ATOM 0 HH12 ARG A 20 5.412 12.922 -10.675 1.00 1.00 H new ATOM 0 HH21 ARG A 20 8.743 11.790 -10.171 1.00 1.00 H new ATOM 0 HH22 ARG A 20 7.665 13.187 -10.261 1.00 1.00 H new ATOM 337 N LEU A 21 6.311 8.084 -5.769 1.00 1.00 N ATOM 338 CA LEU A 21 5.839 8.816 -4.635 1.00 1.00 C ATOM 339 C LEU A 21 6.893 9.631 -3.967 1.00 1.00 C ATOM 340 O LEU A 21 6.661 10.795 -3.646 1.00 1.00 O ATOM 341 CB LEU A 21 5.138 7.899 -3.618 1.00 1.00 C ATOM 342 CG LEU A 21 3.632 7.693 -3.848 1.00 1.00 C ATOM 343 CD1 LEU A 21 2.826 8.974 -3.577 1.00 1.00 C ATOM 344 CD2 LEU A 21 3.273 7.135 -5.235 1.00 1.00 C ATOM 0 H LEU A 21 6.362 7.076 -5.625 1.00 1.00 H new ATOM 0 HA LEU A 21 5.109 9.521 -5.032 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.628 6.925 -3.634 1.00 1.00 H new ATOM 0 HB3 LEU A 21 5.283 8.313 -2.620 1.00 1.00 H new ATOM 0 HG LEU A 21 3.352 6.931 -3.121 1.00 1.00 H new ATOM 0 HD11 LEU A 21 1.767 8.782 -3.752 1.00 1.00 H new ATOM 0 HD12 LEU A 21 2.972 9.284 -2.542 1.00 1.00 H new ATOM 0 HD13 LEU A 21 3.166 9.766 -4.244 1.00 1.00 H new ATOM 0 HD21 LEU A 21 2.192 7.021 -5.312 1.00 1.00 H new ATOM 0 HD22 LEU A 21 3.621 7.823 -6.005 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.751 6.165 -5.372 1.00 1.00 H new ATOM 356 N ASP A 22 8.102 9.083 -3.744 1.00 1.00 N ATOM 357 CA ASP A 22 9.181 9.752 -3.087 1.00 1.00 C ATOM 358 C ASP A 22 9.747 10.884 -3.874 1.00 1.00 C ATOM 359 O ASP A 22 10.073 11.939 -3.335 1.00 1.00 O ATOM 360 CB ASP A 22 10.262 8.713 -2.747 1.00 1.00 C ATOM 361 CG ASP A 22 11.319 9.275 -1.808 1.00 1.00 C ATOM 362 OD1 ASP A 22 11.003 9.534 -0.617 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.484 9.459 -2.254 1.00 1.00 O ATOM 0 H ASP A 22 8.336 8.134 -4.034 1.00 1.00 H new ATOM 0 HA ASP A 22 8.791 10.208 -2.177 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.795 7.842 -2.287 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.738 8.372 -3.666 1.00 1.00 H new ATOM 368 N ASP A 23 9.871 10.727 -5.205 1.00 1.00 N ATOM 369 CA ASP A 23 10.365 11.707 -6.121 1.00 1.00 C ATOM 370 C ASP A 23 9.503 12.918 -6.222 1.00 1.00 C ATOM 371 O ASP A 23 9.961 14.009 -6.560 1.00 1.00 O ATOM 372 CB ASP A 23 10.489 10.978 -7.470 1.00 1.00 C ATOM 373 CG ASP A 23 11.163 11.751 -8.593 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.384 12.047 -8.497 1.00 1.00 O ATOM 375 OD2 ASP A 23 10.472 12.032 -9.609 1.00 1.00 O ATOM 0 H ASP A 23 9.608 9.858 -5.670 1.00 1.00 H new ATOM 0 HA ASP A 23 11.321 12.100 -5.776 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.044 10.054 -7.310 1.00 1.00 H new ATOM 0 HB3 ASP A 23 9.489 10.697 -7.800 1.00 1.00 H new ATOM 380 N TRP A 24 8.194 12.782 -5.946 1.00 1.00 N ATOM 381 CA TRP A 24 7.208 13.776 -6.234 1.00 1.00 C ATOM 382 C TRP A 24 6.812 14.626 -5.077 1.00 1.00 C ATOM 383 O TRP A 24 7.636 15.007 -4.245 1.00 1.00 O ATOM 384 CB TRP A 24 6.012 13.057 -6.881 1.00 1.00 C ATOM 385 CG TRP A 24 5.252 13.799 -7.955 1.00 1.00 C ATOM 386 CD1 TRP A 24 5.740 14.592 -8.953 1.00 1.00 C ATOM 387 CD2 TRP A 24 3.855 13.598 -8.243 1.00 1.00 C ATOM 388 NE1 TRP A 24 4.743 14.898 -9.841 1.00 1.00 N ATOM 389 CE2 TRP A 24 3.576 14.307 -9.417 1.00 1.00 C ATOM 390 CE3 TRP A 24 2.887 12.860 -7.619 1.00 1.00 C ATOM 391 CZ2 TRP A 24 2.322 14.295 -9.962 1.00 1.00 C ATOM 392 CZ3 TRP A 24 1.633 12.848 -8.182 1.00 1.00 C ATOM 393 CH2 TRP A 24 1.353 13.555 -9.327 1.00 1.00 C ATOM 0 H TRP A 24 7.808 11.947 -5.505 1.00 1.00 H new ATOM 0 HA TRP A 24 7.643 14.504 -6.919 1.00 1.00 H new ATOM 0 HB2 TRP A 24 6.373 12.122 -7.309 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.309 12.795 -6.090 1.00 1.00 H new ATOM 0 HD1 TRP A 24 6.763 14.929 -9.031 1.00 1.00 H new ATOM 0 HE1 TRP A 24 4.849 15.470 -10.679 1.00 1.00 H new ATOM 0 HE3 TRP A 24 3.100 12.307 -6.716 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 2.100 14.849 -10.862 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 0.850 12.270 -7.714 1.00 1.00 H new ATOM 0 HH2 TRP A 24 0.353 13.529 -9.735 1.00 1.00 H new ATOM 404 N ASP A 25 5.530 15.030 -5.034 1.00 1.00 N ATOM 405 CA ASP A 25 4.900 15.916 -4.105 1.00 1.00 C ATOM 406 C ASP A 25 5.518 17.264 -3.958 1.00 1.00 C ATOM 407 O ASP A 25 6.177 17.780 -4.859 1.00 1.00 O ATOM 408 CB ASP A 25 4.557 15.183 -2.797 1.00 1.00 C ATOM 409 CG ASP A 25 3.186 15.569 -2.258 1.00 1.00 C ATOM 410 OD1 ASP A 25 2.985 16.756 -1.888 1.00 1.00 O ATOM 411 OD2 ASP A 25 2.259 14.717 -2.262 1.00 1.00 O ATOM 0 H ASP A 25 4.863 14.696 -5.730 1.00 1.00 H new ATOM 0 HA ASP A 25 3.950 16.204 -4.555 1.00 1.00 H new ATOM 0 HB2 ASP A 25 4.587 14.107 -2.968 1.00 1.00 H new ATOM 0 HB3 ASP A 25 5.316 15.408 -2.048 1.00 1.00 H new ATOM 416 N GLY A 26 5.278 17.936 -2.818 1.00 1.00 N ATOM 417 CA GLY A 26 5.779 19.246 -2.530 1.00 1.00 C ATOM 418 C GLY A 26 4.939 19.964 -1.532 1.00 1.00 C ATOM 419 O GLY A 26 5.445 20.580 -0.596 1.00 1.00 O ATOM 0 H GLY A 26 4.710 17.550 -2.064 1.00 1.00 H new ATOM 0 HA2 GLY A 26 6.799 19.168 -2.154 1.00 1.00 H new ATOM 0 HA3 GLY A 26 5.822 19.827 -3.451 1.00 1.00 H new ATOM 423 N ASP A 27 3.605 19.906 -1.697 1.00 1.00 N ATOM 424 CA ASP A 27 2.661 20.565 -0.846 1.00 1.00 C ATOM 425 C ASP A 27 2.471 19.829 0.436 1.00 1.00 C ATOM 426 O ASP A 27 2.206 20.406 1.489 1.00 1.00 O ATOM 427 CB ASP A 27 1.328 20.704 -1.598 1.00 1.00 C ATOM 428 CG ASP A 27 0.708 22.073 -1.356 1.00 1.00 C ATOM 429 OD1 ASP A 27 1.223 23.065 -1.938 1.00 1.00 O ATOM 430 OD2 ASP A 27 -0.292 22.188 -0.597 1.00 1.00 O ATOM 0 H ASP A 27 3.166 19.380 -2.453 1.00 1.00 H new ATOM 0 HA ASP A 27 3.045 21.553 -0.590 1.00 1.00 H new ATOM 0 HB2 ASP A 27 1.491 20.558 -2.666 1.00 1.00 H new ATOM 0 HB3 ASP A 27 0.639 19.925 -1.271 1.00 1.00 H new ATOM 435 N SER A 28 2.618 18.493 0.384 1.00 1.00 N ATOM 436 CA SER A 28 2.582 17.626 1.521 1.00 1.00 C ATOM 437 C SER A 28 3.927 17.025 1.751 1.00 1.00 C ATOM 438 O SER A 28 4.815 17.067 0.902 1.00 1.00 O ATOM 439 CB SER A 28 1.586 16.469 1.337 1.00 1.00 C ATOM 440 OG SER A 28 0.265 16.957 1.166 1.00 1.00 O ATOM 0 H SER A 28 2.769 17.994 -0.493 1.00 1.00 H new ATOM 0 HA SER A 28 2.271 18.238 2.368 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.872 15.873 0.471 1.00 1.00 H new ATOM 0 HB3 SER A 28 1.625 15.810 2.204 1.00 1.00 H new ATOM 0 HG SER A 28 -0.350 16.203 1.049 1.00 1.00 H new ATOM 446 N ASP A 29 4.129 16.418 2.935 1.00 1.00 N ATOM 447 CA ASP A 29 5.251 15.577 3.216 1.00 1.00 C ATOM 448 C ASP A 29 4.827 14.178 2.927 1.00 1.00 C ATOM 449 O ASP A 29 3.683 13.801 3.175 1.00 1.00 O ATOM 450 CB ASP A 29 5.713 15.778 4.668 1.00 1.00 C ATOM 451 CG ASP A 29 7.086 15.172 4.921 1.00 1.00 C ATOM 452 OD1 ASP A 29 8.061 15.578 4.234 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.206 14.278 5.801 1.00 1.00 O ATOM 0 H ASP A 29 3.489 16.516 3.723 1.00 1.00 H new ATOM 0 HA ASP A 29 6.112 15.823 2.595 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.740 16.844 4.895 1.00 1.00 H new ATOM 0 HB3 ASP A 29 4.988 15.326 5.345 1.00 1.00 H new ATOM 458 N ILE A 30 5.739 13.377 2.346 1.00 1.00 N ATOM 459 CA ILE A 30 5.499 12.081 1.792 1.00 1.00 C ATOM 460 C ILE A 30 6.695 11.261 2.132 1.00 1.00 C ATOM 461 O ILE A 30 7.846 11.624 1.890 1.00 1.00 O ATOM 462 CB ILE A 30 5.234 12.120 0.315 1.00 1.00 C ATOM 463 CG1 ILE A 30 5.052 10.734 -0.329 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.309 12.908 -0.450 1.00 1.00 C ATOM 465 CD1 ILE A 30 3.853 9.948 0.197 1.00 1.00 C ATOM 0 H ILE A 30 6.716 13.658 2.258 1.00 1.00 H new ATOM 0 HA ILE A 30 4.593 11.645 2.212 1.00 1.00 H new ATOM 0 HB ILE A 30 4.280 12.641 0.230 1.00 1.00 H new ATOM 0 HG12 ILE A 30 4.945 10.858 -1.407 1.00 1.00 H new ATOM 0 HG13 ILE A 30 5.956 10.148 -0.164 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.073 12.907 -1.514 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.336 13.935 -0.085 1.00 1.00 H new ATOM 0 HG23 ILE A 30 7.282 12.442 -0.294 1.00 1.00 H new ATOM 0 HD11 ILE A 30 3.799 8.984 -0.310 1.00 1.00 H new ATOM 0 HD12 ILE A 30 3.965 9.788 1.269 1.00 1.00 H new ATOM 0 HD13 ILE A 30 2.938 10.510 0.007 1.00 1.00 H new ATOM 477 N ASP A 31 6.464 10.119 2.804 1.00 1.00 N ATOM 478 CA ASP A 31 7.453 9.108 3.013 1.00 1.00 C ATOM 479 C ASP A 31 6.840 7.756 2.872 1.00 1.00 C ATOM 480 O ASP A 31 5.823 7.433 3.484 1.00 1.00 O ATOM 481 CB ASP A 31 8.135 9.293 4.378 1.00 1.00 C ATOM 482 CG ASP A 31 9.502 8.624 4.426 1.00 1.00 C ATOM 483 OD1 ASP A 31 10.317 8.839 3.488 1.00 1.00 O ATOM 484 OD2 ASP A 31 9.793 7.903 5.417 1.00 1.00 O ATOM 0 H ASP A 31 5.559 9.892 3.215 1.00 1.00 H new ATOM 0 HA ASP A 31 8.228 9.201 2.252 1.00 1.00 H new ATOM 0 HB2 ASP A 31 8.244 10.357 4.588 1.00 1.00 H new ATOM 0 HB3 ASP A 31 7.500 8.877 5.160 1.00 1.00 H new ATOM 489 N CYS A 32 7.435 6.878 2.045 1.00 1.00 N ATOM 490 CA CYS A 32 7.015 5.515 1.936 1.00 1.00 C ATOM 491 C CYS A 32 7.867 4.695 2.842 1.00 1.00 C ATOM 492 O CYS A 32 9.093 4.791 2.849 1.00 1.00 O ATOM 493 CB CYS A 32 7.151 4.978 0.500 1.00 1.00 C ATOM 494 SG CYS A 32 6.521 3.294 0.227 1.00 1.00 S ATOM 0 H CYS A 32 8.221 7.118 1.441 1.00 1.00 H new ATOM 0 HA CYS A 32 5.962 5.456 2.210 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.627 5.656 -0.173 1.00 1.00 H new ATOM 0 HB3 CYS A 32 8.204 5.002 0.221 1.00 1.00 H new ATOM 0 HG CYS A 32 6.692 2.963 -1.018 1.00 1.00 H new ATOM 500 N GLU A 33 7.235 3.828 3.655 1.00 1.00 N ATOM 501 CA GLU A 33 7.892 3.126 4.712 1.00 1.00 C ATOM 502 C GLU A 33 8.033 1.696 4.322 1.00 1.00 C ATOM 503 O GLU A 33 7.100 1.111 3.773 1.00 1.00 O ATOM 504 CB GLU A 33 7.106 3.122 6.035 1.00 1.00 C ATOM 505 CG GLU A 33 6.475 4.457 6.443 1.00 1.00 C ATOM 506 CD GLU A 33 5.636 4.289 7.702 1.00 1.00 C ATOM 507 OE1 GLU A 33 4.730 3.415 7.716 1.00 1.00 O ATOM 508 OE2 GLU A 33 5.880 5.028 8.694 1.00 1.00 O ATOM 0 H GLU A 33 6.242 3.610 3.574 1.00 1.00 H new ATOM 0 HA GLU A 33 8.842 3.638 4.866 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.315 2.375 5.963 1.00 1.00 H new ATOM 0 HB3 GLU A 33 7.776 2.800 6.832 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.256 5.197 6.616 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.852 4.834 5.632 1.00 1.00 H new ATOM 515 N ILE A 34 9.180 1.067 4.635 1.00 1.00 N ATOM 516 CA ILE A 34 9.363 -0.350 4.571 1.00 1.00 C ATOM 517 C ILE A 34 9.581 -0.790 5.977 1.00 1.00 C ATOM 518 O ILE A 34 10.589 -0.507 6.623 1.00 1.00 O ATOM 519 CB ILE A 34 10.472 -0.751 3.643 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.834 -2.242 3.744 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.730 0.120 3.807 1.00 1.00 C ATOM 522 CD1 ILE A 34 9.685 -3.199 3.428 1.00 1.00 C ATOM 0 H ILE A 34 10.014 1.566 4.945 1.00 1.00 H new ATOM 0 HA ILE A 34 8.490 -0.843 4.144 1.00 1.00 H new ATOM 0 HB ILE A 34 10.075 -0.578 2.643 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.659 -2.449 3.063 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.194 -2.448 4.752 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.498 -0.216 3.111 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.482 1.161 3.599 1.00 1.00 H new ATOM 0 HG23 ILE A 34 12.102 0.033 4.828 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.032 -4.228 3.524 1.00 1.00 H new ATOM 0 HD12 ILE A 34 8.865 -3.026 4.125 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.338 -3.027 2.409 1.00 1.00 H new ATOM 534 N ASN A 35 8.564 -1.492 6.508 1.00 1.00 N ATOM 535 CA ASN A 35 8.632 -2.214 7.741 1.00 1.00 C ATOM 536 C ASN A 35 8.213 -3.613 7.447 1.00 1.00 C ATOM 537 O ASN A 35 7.170 -3.863 6.845 1.00 1.00 O ATOM 538 CB ASN A 35 7.773 -1.598 8.857 1.00 1.00 C ATOM 539 CG ASN A 35 8.363 -0.263 9.291 1.00 1.00 C ATOM 540 OD1 ASN A 35 9.537 -0.158 9.645 1.00 1.00 O ATOM 541 ND2 ASN A 35 7.529 0.810 9.289 1.00 1.00 N ATOM 0 H ASN A 35 7.652 -1.559 6.057 1.00 1.00 H new ATOM 0 HA ASN A 35 9.652 -2.175 8.124 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.751 -1.456 8.505 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.725 -2.278 9.708 1.00 1.00 H new ATOM 0 HD21 ASN A 35 7.873 1.724 9.585 1.00 1.00 H new ATOM 0 HD22 ASN A 35 6.559 0.702 8.992 1.00 1.00 H new ATOM 548 N GLY A 36 9.062 -4.588 7.819 1.00 1.00 N ATOM 549 CA GLY A 36 8.890 -5.979 7.535 1.00 1.00 C ATOM 550 C GLY A 36 9.010 -6.286 6.082 1.00 1.00 C ATOM 551 O GLY A 36 10.099 -6.294 5.510 1.00 1.00 O ATOM 0 H GLY A 36 9.914 -4.395 8.346 1.00 1.00 H new ATOM 0 HA2 GLY A 36 9.634 -6.553 8.087 1.00 1.00 H new ATOM 0 HA3 GLY A 36 7.911 -6.300 7.891 1.00 1.00 H new ATOM 555 N GLY A 37 7.859 -6.515 5.427 1.00 1.00 N ATOM 556 CA GLY A 37 7.757 -6.659 4.008 1.00 1.00 C ATOM 557 C GLY A 37 6.544 -5.976 3.478 1.00 1.00 C ATOM 558 O GLY A 37 6.033 -6.355 2.425 1.00 1.00 O ATOM 0 H GLY A 37 6.962 -6.604 5.905 1.00 1.00 H new ATOM 0 HA2 GLY A 37 8.646 -6.244 3.534 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.723 -7.717 3.750 1.00 1.00 H new ATOM 562 N VAL A 38 6.037 -4.948 4.183 1.00 1.00 N ATOM 563 CA VAL A 38 4.892 -4.194 3.781 1.00 1.00 C ATOM 564 C VAL A 38 5.370 -2.824 3.444 1.00 1.00 C ATOM 565 O VAL A 38 6.093 -2.207 4.225 1.00 1.00 O ATOM 566 CB VAL A 38 3.871 -4.106 4.879 1.00 1.00 C ATOM 567 CG1 VAL A 38 2.610 -3.362 4.411 1.00 1.00 C ATOM 568 CG2 VAL A 38 3.492 -5.522 5.345 1.00 1.00 C ATOM 0 H VAL A 38 6.440 -4.631 5.065 1.00 1.00 H new ATOM 0 HA VAL A 38 4.414 -4.681 2.931 1.00 1.00 H new ATOM 0 HB VAL A 38 4.308 -3.547 5.706 1.00 1.00 H new ATOM 0 HG11 VAL A 38 1.891 -3.315 5.229 1.00 1.00 H new ATOM 0 HG12 VAL A 38 2.877 -2.351 4.104 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.167 -3.892 3.568 1.00 1.00 H new ATOM 0 HG21 VAL A 38 2.751 -5.457 6.142 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.076 -6.081 4.507 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.380 -6.033 5.717 1.00 1.00 H new ATOM 578 N LEU A 39 4.991 -2.276 2.276 1.00 1.00 N ATOM 579 CA LEU A 39 5.257 -0.915 1.931 1.00 1.00 C ATOM 580 C LEU A 39 4.017 -0.128 2.184 1.00 1.00 C ATOM 581 O LEU A 39 2.936 -0.383 1.652 1.00 1.00 O ATOM 582 CB LEU A 39 5.690 -0.767 0.462 1.00 1.00 C ATOM 583 CG LEU A 39 7.139 -1.229 0.238 1.00 1.00 C ATOM 584 CD1 LEU A 39 7.381 -1.581 -1.240 1.00 1.00 C ATOM 585 CD2 LEU A 39 8.164 -0.161 0.660 1.00 1.00 C ATOM 0 H LEU A 39 4.488 -2.792 1.554 1.00 1.00 H new ATOM 0 HA LEU A 39 6.083 -0.547 2.540 1.00 1.00 H new ATOM 0 HB2 LEU A 39 5.022 -1.349 -0.173 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.591 0.275 0.158 1.00 1.00 H new ATOM 0 HG LEU A 39 7.277 -2.112 0.862 1.00 1.00 H new ATOM 0 HD11 LEU A 39 8.413 -1.905 -1.373 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.707 -2.385 -1.538 1.00 1.00 H new ATOM 0 HD13 LEU A 39 7.194 -0.703 -1.858 1.00 1.00 H new ATOM 0 HD21 LEU A 39 9.173 -0.534 0.483 1.00 1.00 H new ATOM 0 HD22 LEU A 39 8.005 0.746 0.077 1.00 1.00 H new ATOM 0 HD23 LEU A 39 8.041 0.063 1.720 1.00 1.00 H new ATOM 597 N THR A 40 4.145 0.871 3.074 1.00 1.00 N ATOM 598 CA THR A 40 3.091 1.756 3.462 1.00 1.00 C ATOM 599 C THR A 40 3.460 3.114 2.972 1.00 1.00 C ATOM 600 O THR A 40 4.514 3.666 3.286 1.00 1.00 O ATOM 601 CB THR A 40 2.846 1.799 4.941 1.00 1.00 C ATOM 602 OG1 THR A 40 4.047 1.711 5.693 1.00 1.00 O ATOM 603 CG2 THR A 40 1.994 0.579 5.335 1.00 1.00 C ATOM 0 H THR A 40 5.027 1.072 3.546 1.00 1.00 H new ATOM 0 HA THR A 40 2.161 1.392 3.025 1.00 1.00 H new ATOM 0 HB THR A 40 2.356 2.748 5.157 1.00 1.00 H new ATOM 0 HG1 THR A 40 4.062 2.420 6.370 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.808 0.597 6.409 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.044 0.611 4.801 1.00 1.00 H new ATOM 0 HG23 THR A 40 2.526 -0.336 5.074 1.00 1.00 H new ATOM 611 N ILE A 41 2.586 3.713 2.145 1.00 1.00 N ATOM 612 CA ILE A 41 2.831 4.996 1.562 1.00 1.00 C ATOM 613 C ILE A 41 2.186 5.984 2.471 1.00 1.00 C ATOM 614 O ILE A 41 0.968 5.970 2.641 1.00 1.00 O ATOM 615 CB ILE A 41 2.263 5.084 0.176 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.849 3.972 -0.710 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.499 6.480 -0.426 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.048 3.786 -1.999 1.00 1.00 C ATOM 0 H ILE A 41 1.693 3.300 1.876 1.00 1.00 H new ATOM 0 HA ILE A 41 3.899 5.186 1.460 1.00 1.00 H new ATOM 0 HB ILE A 41 1.184 4.936 0.228 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.883 4.212 -0.957 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.864 3.035 -0.154 1.00 1.00 H new ATOM 0 HG21 ILE A 41 2.078 6.519 -1.431 1.00 1.00 H new ATOM 0 HG22 ILE A 41 2.017 7.232 0.199 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.570 6.680 -0.473 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.497 2.991 -2.595 1.00 1.00 H new ATOM 0 HD12 ILE A 41 1.020 3.519 -1.753 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.055 4.715 -2.569 1.00 1.00 H new ATOM 630 N THR A 42 3.005 6.813 3.144 1.00 1.00 N ATOM 631 CA THR A 42 2.517 7.616 4.222 1.00 1.00 C ATOM 632 C THR A 42 2.727 9.076 4.009 1.00 1.00 C ATOM 633 O THR A 42 3.826 9.550 3.722 1.00 1.00 O ATOM 634 CB THR A 42 2.985 7.211 5.589 1.00 1.00 C ATOM 635 OG1 THR A 42 4.354 7.476 5.857 1.00 1.00 O ATOM 636 CG2 THR A 42 2.769 5.702 5.788 1.00 1.00 C ATOM 0 H THR A 42 3.999 6.927 2.943 1.00 1.00 H new ATOM 0 HA THR A 42 1.446 7.416 4.203 1.00 1.00 H new ATOM 0 HB THR A 42 2.393 7.818 6.274 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.861 7.457 5.019 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.111 5.414 6.782 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.709 5.470 5.687 1.00 1.00 H new ATOM 0 HG23 THR A 42 3.334 5.151 5.036 1.00 1.00 H new ATOM 644 N PHE A 43 1.644 9.866 4.116 1.00 1.00 N ATOM 645 CA PHE A 43 1.680 11.288 3.968 1.00 1.00 C ATOM 646 C PHE A 43 1.196 11.979 5.195 1.00 1.00 C ATOM 647 O PHE A 43 0.647 11.384 6.121 1.00 1.00 O ATOM 648 CB PHE A 43 1.011 11.773 2.671 1.00 1.00 C ATOM 649 CG PHE A 43 -0.192 10.978 2.293 1.00 1.00 C ATOM 650 CD1 PHE A 43 -0.057 9.856 1.509 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.445 11.347 2.720 1.00 1.00 C ATOM 652 CE1 PHE A 43 -1.153 9.094 1.178 1.00 1.00 C ATOM 653 CE2 PHE A 43 -2.550 10.599 2.388 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.399 9.464 1.625 1.00 1.00 C ATOM 0 H PHE A 43 0.711 9.503 4.312 1.00 1.00 H new ATOM 0 HA PHE A 43 2.726 11.574 3.856 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.725 12.818 2.787 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.736 11.730 1.858 1.00 1.00 H new ATOM 0 HD1 PHE A 43 0.920 9.570 1.149 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -1.563 12.235 3.323 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -1.035 8.209 0.570 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -3.531 10.901 2.724 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.261 8.863 1.377 1.00 1.00 H new ATOM 664 N GLU A 44 1.421 13.303 5.269 1.00 1.00 N ATOM 665 CA GLU A 44 1.242 14.164 6.397 1.00 1.00 C ATOM 666 C GLU A 44 -0.114 14.198 7.015 1.00 1.00 C ATOM 667 O GLU A 44 -0.277 14.311 8.228 1.00 1.00 O ATOM 668 CB GLU A 44 1.723 15.541 5.910 1.00 1.00 C ATOM 669 CG GLU A 44 0.810 16.347 4.983 1.00 1.00 C ATOM 670 CD GLU A 44 0.043 17.484 5.642 1.00 1.00 C ATOM 671 OE1 GLU A 44 -0.016 17.596 6.896 1.00 1.00 O ATOM 672 OE2 GLU A 44 -0.440 18.355 4.869 1.00 1.00 O ATOM 0 H GLU A 44 1.762 13.819 4.458 1.00 1.00 H new ATOM 0 HA GLU A 44 1.817 13.778 7.239 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.925 16.152 6.790 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.674 15.398 5.396 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.415 16.760 4.176 1.00 1.00 H new ATOM 0 HG3 GLU A 44 0.093 15.665 4.526 1.00 1.00 H new ATOM 679 N ASN A 45 -1.154 14.031 6.180 1.00 1.00 N ATOM 680 CA ASN A 45 -2.524 13.938 6.581 1.00 1.00 C ATOM 681 C ASN A 45 -2.870 12.720 7.364 1.00 1.00 C ATOM 682 O ASN A 45 -3.896 12.669 8.042 1.00 1.00 O ATOM 683 CB ASN A 45 -3.451 14.036 5.357 1.00 1.00 C ATOM 684 CG ASN A 45 -3.371 15.452 4.805 1.00 1.00 C ATOM 685 OD1 ASN A 45 -3.804 16.401 5.458 1.00 1.00 O ATOM 686 ND2 ASN A 45 -2.788 15.637 3.591 1.00 1.00 N ATOM 0 H ASN A 45 -1.033 13.957 5.170 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.674 14.782 7.254 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.152 13.315 4.596 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.476 13.796 5.638 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -2.703 16.577 3.204 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -2.436 14.836 3.067 1.00 1.00 H new ATOM 693 N GLY A 46 -2.019 11.679 7.365 1.00 1.00 N ATOM 694 CA GLY A 46 -2.133 10.585 8.281 1.00 1.00 C ATOM 695 C GLY A 46 -3.010 9.465 7.836 1.00 1.00 C ATOM 696 O GLY A 46 -3.338 8.578 8.624 1.00 1.00 O ATOM 0 H GLY A 46 -1.236 11.595 6.717 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.136 10.189 8.472 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.512 10.966 9.229 1.00 1.00 H new ATOM 700 N SER A 47 -3.385 9.447 6.545 1.00 1.00 N ATOM 701 CA SER A 47 -4.004 8.334 5.897 1.00 1.00 C ATOM 702 C SER A 47 -2.940 7.606 5.153 1.00 1.00 C ATOM 703 O SER A 47 -1.934 8.198 4.763 1.00 1.00 O ATOM 704 CB SER A 47 -5.140 8.734 4.940 1.00 1.00 C ATOM 705 OG SER A 47 -6.262 9.220 5.663 1.00 1.00 O ATOM 0 H SER A 47 -3.250 10.245 5.925 1.00 1.00 H new ATOM 0 HA SER A 47 -4.470 7.708 6.658 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.787 9.500 4.250 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.434 7.874 4.338 1.00 1.00 H new ATOM 0 HG SER A 47 -6.972 9.470 5.036 1.00 1.00 H new ATOM 711 N LYS A 48 -3.079 6.278 4.989 1.00 1.00 N ATOM 712 CA LYS A 48 -2.023 5.440 4.515 1.00 1.00 C ATOM 713 C LYS A 48 -2.503 4.608 3.374 1.00 1.00 C ATOM 714 O LYS A 48 -3.677 4.252 3.303 1.00 1.00 O ATOM 715 CB LYS A 48 -1.508 4.475 5.596 1.00 1.00 C ATOM 716 CG LYS A 48 -0.825 5.112 6.809 1.00 1.00 C ATOM 717 CD LYS A 48 -1.744 5.576 7.941 1.00 1.00 C ATOM 718 CE LYS A 48 -2.477 4.486 8.728 1.00 1.00 C ATOM 719 NZ LYS A 48 -1.533 3.663 9.518 1.00 1.00 N ATOM 0 H LYS A 48 -3.944 5.776 5.190 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.215 6.107 4.215 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -2.349 3.880 5.951 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.804 3.785 5.131 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -0.115 4.393 7.218 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -0.247 5.970 6.465 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.149 6.160 8.643 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.490 6.249 7.518 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -3.208 4.945 9.394 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -3.030 3.848 8.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -2.060 2.934 10.039 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -0.851 3.207 8.879 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.023 4.270 10.191 1.00 1.00 H new ATOM 733 N ILE A 49 -1.598 4.238 2.450 1.00 1.00 N ATOM 734 CA ILE A 49 -1.849 3.227 1.472 1.00 1.00 C ATOM 735 C ILE A 49 -1.082 2.034 1.926 1.00 1.00 C ATOM 736 O ILE A 49 0.081 2.177 2.305 1.00 1.00 O ATOM 737 CB ILE A 49 -1.386 3.568 0.086 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.465 5.069 -0.237 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.148 2.711 -0.940 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.864 5.682 -0.228 1.00 1.00 C ATOM 0 H ILE A 49 -0.669 4.653 2.382 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.927 3.083 1.401 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.324 3.329 0.028 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.849 5.608 0.482 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.024 5.233 -1.220 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.810 2.961 -1.946 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.958 1.656 -0.745 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.217 2.909 -0.857 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.798 6.743 -0.469 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.486 5.180 -0.969 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.308 5.561 0.760 1.00 1.00 H new ATOM 752 N ILE A 50 -1.673 0.826 1.938 1.00 1.00 N ATOM 753 CA ILE A 50 -1.050 -0.335 2.492 1.00 1.00 C ATOM 754 C ILE A 50 -0.829 -1.344 1.419 1.00 1.00 C ATOM 755 O ILE A 50 -1.775 -1.839 0.807 1.00 1.00 O ATOM 756 CB ILE A 50 -1.870 -0.996 3.559 1.00 1.00 C ATOM 757 CG1 ILE A 50 -2.627 -0.022 4.479 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.021 -1.988 4.373 1.00 1.00 C ATOM 759 CD1 ILE A 50 -1.751 0.834 5.391 1.00 1.00 C ATOM 0 H ILE A 50 -2.602 0.653 1.555 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.115 0.008 2.936 1.00 1.00 H new ATOM 0 HB ILE A 50 -2.647 -1.545 3.027 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.232 0.640 3.859 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -3.315 -0.596 5.099 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.640 -2.453 5.140 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.625 -2.757 3.710 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.195 -1.457 4.846 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -2.382 1.484 5.997 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.164 0.187 6.044 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.080 1.442 4.785 1.00 1.00 H new ATOM 771 N ILE A 51 0.438 -1.700 1.139 1.00 1.00 N ATOM 772 CA ILE A 51 0.810 -2.583 0.077 1.00 1.00 C ATOM 773 C ILE A 51 1.664 -3.709 0.554 1.00 1.00 C ATOM 774 O ILE A 51 2.787 -3.566 1.033 1.00 1.00 O ATOM 775 CB ILE A 51 1.470 -1.881 -1.071 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.642 -0.619 -1.365 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.543 -2.845 -2.268 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.894 0.011 -2.735 1.00 1.00 C ATOM 0 H ILE A 51 1.236 -1.358 1.675 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.129 -2.996 -0.293 1.00 1.00 H new ATOM 0 HB ILE A 51 2.493 -1.580 -0.848 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.416 -0.869 -1.285 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.853 0.124 -0.595 1.00 1.00 H new ATOM 0 HG21 ILE A 51 2.022 -2.344 -3.110 1.00 1.00 H new ATOM 0 HG22 ILE A 51 2.123 -3.725 -1.991 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.536 -3.149 -2.552 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.266 0.894 -2.851 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.942 0.299 -2.816 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.654 -0.710 -3.517 1.00 1.00 H new ATOM 790 N ASN A 52 1.095 -4.919 0.406 1.00 1.00 N ATOM 791 CA ASN A 52 1.623 -6.198 0.767 1.00 1.00 C ATOM 792 C ASN A 52 1.209 -7.140 -0.311 1.00 1.00 C ATOM 793 O ASN A 52 0.448 -6.838 -1.228 1.00 1.00 O ATOM 794 CB ASN A 52 1.114 -6.623 2.155 1.00 1.00 C ATOM 795 CG ASN A 52 1.785 -7.858 2.738 1.00 1.00 C ATOM 796 OD1 ASN A 52 2.882 -8.238 2.329 1.00 1.00 O ATOM 797 ND2 ASN A 52 1.116 -8.525 3.715 1.00 1.00 N ATOM 0 H ASN A 52 0.168 -5.007 -0.010 1.00 1.00 H new ATOM 0 HA ASN A 52 2.710 -6.182 0.849 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.254 -5.792 2.846 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.042 -6.807 2.091 1.00 1.00 H new ATOM 0 HD21 ASN A 52 1.522 -9.364 4.129 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.208 -8.186 4.034 1.00 1.00 H new ATOM 804 N ARG A 53 1.783 -8.354 -0.243 1.00 1.00 N ATOM 805 CA ARG A 53 1.684 -9.337 -1.278 1.00 1.00 C ATOM 806 C ARG A 53 1.854 -10.694 -0.686 1.00 1.00 C ATOM 807 O ARG A 53 2.782 -10.981 0.068 1.00 1.00 O ATOM 808 CB ARG A 53 2.742 -8.967 -2.331 1.00 1.00 C ATOM 809 CG ARG A 53 3.194 -10.015 -3.351 1.00 1.00 C ATOM 810 CD ARG A 53 4.246 -11.043 -2.934 1.00 1.00 C ATOM 811 NE ARG A 53 5.542 -10.359 -2.667 1.00 1.00 N ATOM 812 CZ ARG A 53 6.108 -10.185 -1.436 1.00 1.00 C ATOM 813 NH1 ARG A 53 5.451 -10.481 -0.279 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.374 -9.684 -1.338 1.00 1.00 N ATOM 0 H ARG A 53 2.334 -8.662 0.558 1.00 1.00 H new ATOM 0 HA ARG A 53 0.709 -9.356 -1.766 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.361 -8.112 -2.889 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.630 -8.629 -1.796 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.309 -10.562 -3.676 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.579 -9.484 -4.222 1.00 1.00 H new ATOM 0 HD2 ARG A 53 3.915 -11.575 -2.042 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.372 -11.787 -3.720 1.00 1.00 H new ATOM 0 HE ARG A 53 6.049 -9.989 -3.471 1.00 1.00 H new ATOM 0 HH11 ARG A 53 4.500 -10.847 -0.312 1.00 1.00 H new ATOM 0 HH12 ARG A 53 5.911 -10.336 0.620 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.893 -9.441 -2.182 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.801 -9.552 -0.421 1.00 1.00 H new ATOM 828 N GLN A 54 0.914 -11.584 -1.051 1.00 1.00 N ATOM 829 CA GLN A 54 0.910 -12.965 -0.682 1.00 1.00 C ATOM 830 C GLN A 54 1.668 -13.689 -1.741 1.00 1.00 C ATOM 831 O GLN A 54 1.454 -13.493 -2.936 1.00 1.00 O ATOM 832 CB GLN A 54 -0.553 -13.429 -0.585 1.00 1.00 C ATOM 833 CG GLN A 54 -1.245 -13.063 0.729 1.00 1.00 C ATOM 834 CD GLN A 54 -0.868 -14.019 1.851 1.00 1.00 C ATOM 835 OE1 GLN A 54 -0.145 -14.996 1.664 1.00 1.00 O ATOM 836 NE2 GLN A 54 -1.419 -13.770 3.071 1.00 1.00 N ATOM 0 H GLN A 54 0.117 -11.327 -1.633 1.00 1.00 H new ATOM 0 HA GLN A 54 1.379 -13.155 0.283 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -1.115 -12.994 -1.411 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -0.588 -14.511 -0.711 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -0.974 -12.046 1.012 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -2.326 -13.077 0.587 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -2.016 -12.954 3.204 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -1.235 -14.400 3.852 1.00 1.00 H new ATOM 845 N GLU A 55 2.635 -14.520 -1.313 1.00 1.00 N ATOM 846 CA GLU A 55 3.481 -15.300 -2.163 1.00 1.00 C ATOM 847 C GLU A 55 2.816 -16.342 -2.995 1.00 1.00 C ATOM 848 O GLU A 55 3.134 -16.364 -4.183 1.00 1.00 O ATOM 849 CB GLU A 55 4.685 -15.894 -1.414 1.00 1.00 C ATOM 850 CG GLU A 55 5.539 -14.858 -0.680 1.00 1.00 C ATOM 851 CD GLU A 55 6.825 -15.441 -0.113 1.00 1.00 C ATOM 852 OE1 GLU A 55 7.200 -16.599 -0.442 1.00 1.00 O ATOM 853 OE2 GLU A 55 7.506 -14.732 0.676 1.00 1.00 O ATOM 0 H GLU A 55 2.837 -14.655 -0.322 1.00 1.00 H new ATOM 0 HA GLU A 55 3.830 -14.558 -2.881 1.00 1.00 H new ATOM 0 HB2 GLU A 55 4.324 -16.628 -0.693 1.00 1.00 H new ATOM 0 HB3 GLU A 55 5.314 -16.429 -2.126 1.00 1.00 H new ATOM 0 HG2 GLU A 55 5.786 -14.047 -1.366 1.00 1.00 H new ATOM 0 HG3 GLU A 55 4.955 -14.423 0.131 1.00 1.00 H new ATOM 860 N PRO A 56 1.948 -17.219 -2.588 1.00 1.00 N ATOM 861 CA PRO A 56 1.111 -17.943 -3.501 1.00 1.00 C ATOM 862 C PRO A 56 0.023 -17.080 -4.042 1.00 1.00 C ATOM 863 O PRO A 56 -0.362 -16.106 -3.398 1.00 1.00 O ATOM 864 CB PRO A 56 0.555 -19.087 -2.658 1.00 1.00 C ATOM 865 CG PRO A 56 0.442 -18.484 -1.248 1.00 1.00 C ATOM 866 CD PRO A 56 1.660 -17.546 -1.200 1.00 1.00 C ATOM 0 HA PRO A 56 1.653 -18.297 -4.378 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -0.414 -19.422 -3.028 1.00 1.00 H new ATOM 0 HB3 PRO A 56 1.218 -19.952 -2.671 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -0.494 -17.943 -1.110 1.00 1.00 H new ATOM 0 HG3 PRO A 56 0.486 -19.249 -0.473 1.00 1.00 H new ATOM 0 HD2 PRO A 56 1.442 -16.648 -0.621 1.00 1.00 H new ATOM 0 HD3 PRO A 56 2.512 -18.032 -0.725 1.00 1.00 H new ATOM 874 N LEU A 57 -0.484 -17.388 -5.251 1.00 1.00 N ATOM 875 CA LEU A 57 -1.349 -16.572 -6.045 1.00 1.00 C ATOM 876 C LEU A 57 -0.661 -15.401 -6.659 1.00 1.00 C ATOM 877 O LEU A 57 0.277 -14.792 -6.148 1.00 1.00 O ATOM 878 CB LEU A 57 -2.742 -16.271 -5.463 1.00 1.00 C ATOM 879 CG LEU A 57 -3.611 -17.529 -5.306 1.00 1.00 C ATOM 880 CD1 LEU A 57 -3.450 -18.210 -3.936 1.00 1.00 C ATOM 881 CD2 LEU A 57 -5.092 -17.198 -5.550 1.00 1.00 C ATOM 0 H LEU A 57 -0.271 -18.276 -5.706 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.607 -17.227 -6.877 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.628 -15.791 -4.491 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -3.255 -15.560 -6.111 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.260 -18.235 -6.058 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.090 -19.091 -3.890 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.411 -18.509 -3.798 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.735 -17.513 -3.148 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.691 -18.102 -5.434 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.421 -16.450 -4.829 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.216 -16.808 -6.560 1.00 1.00 H new ATOM 893 N HIS A 58 -1.080 -15.090 -7.898 1.00 1.00 N ATOM 894 CA HIS A 58 -0.522 -14.067 -8.727 1.00 1.00 C ATOM 895 C HIS A 58 -1.162 -12.738 -8.518 1.00 1.00 C ATOM 896 O HIS A 58 -1.456 -12.048 -9.492 1.00 1.00 O ATOM 897 CB HIS A 58 -0.712 -14.423 -10.212 1.00 1.00 C ATOM 898 CG HIS A 58 -0.240 -15.792 -10.609 1.00 1.00 C ATOM 899 ND1 HIS A 58 -0.477 -16.281 -11.866 1.00 1.00 N ATOM 900 CD2 HIS A 58 0.387 -16.783 -9.919 1.00 1.00 C ATOM 901 CE1 HIS A 58 -0.033 -17.521 -11.940 1.00 1.00 C ATOM 902 NE2 HIS A 58 0.492 -17.849 -10.774 1.00 1.00 N ATOM 0 H HIS A 58 -1.853 -15.581 -8.347 1.00 1.00 H new ATOM 0 HA HIS A 58 0.531 -14.006 -8.453 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.771 -14.336 -10.457 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.184 -13.685 -10.816 1.00 1.00 H new ATOM 0 HD2 HIS A 58 0.734 -16.738 -8.897 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -0.090 -18.160 -12.809 1.00 1.00 H new ATOM 0 HE2 HIS A 58 0.909 -18.751 -10.546 1.00 1.00 H new ATOM 910 N GLN A 59 -1.414 -12.290 -7.274 1.00 1.00 N ATOM 911 CA GLN A 59 -2.172 -11.103 -7.027 1.00 1.00 C ATOM 912 C GLN A 59 -1.573 -10.324 -5.906 1.00 1.00 C ATOM 913 O GLN A 59 -1.038 -10.878 -4.947 1.00 1.00 O ATOM 914 CB GLN A 59 -3.646 -11.395 -6.698 1.00 1.00 C ATOM 915 CG GLN A 59 -3.842 -12.495 -5.653 1.00 1.00 C ATOM 916 CD GLN A 59 -5.302 -12.823 -5.379 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.092 -13.120 -6.273 1.00 1.00 O ATOM 918 NE2 GLN A 59 -5.688 -12.831 -4.073 1.00 1.00 N ATOM 0 H GLN A 59 -1.087 -12.758 -6.429 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.141 -10.524 -7.950 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -4.116 -10.479 -6.340 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.163 -11.681 -7.614 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -3.332 -13.398 -5.989 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -3.366 -12.188 -4.721 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -5.021 -12.582 -3.343 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -6.644 -13.086 -3.825 1.00 1.00 H new ATOM 927 N VAL A 60 -1.650 -8.983 -5.991 1.00 1.00 N ATOM 928 CA VAL A 60 -1.105 -8.086 -5.020 1.00 1.00 C ATOM 929 C VAL A 60 -2.255 -7.423 -4.345 1.00 1.00 C ATOM 930 O VAL A 60 -3.342 -7.370 -4.921 1.00 1.00 O ATOM 931 CB VAL A 60 -0.209 -7.068 -5.658 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.366 -6.025 -4.685 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.986 -7.765 -6.329 1.00 1.00 C ATOM 0 H VAL A 60 -2.110 -8.506 -6.766 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.493 -8.633 -4.303 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.845 -6.546 -6.373 1.00 1.00 H new ATOM 0 HG11 VAL A 60 1.002 -5.329 -5.232 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.451 -5.477 -4.214 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.955 -6.528 -3.918 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.631 -7.017 -6.790 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.551 -8.320 -5.580 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.624 -8.453 -7.093 1.00 1.00 H new ATOM 943 N TRP A 61 -2.122 -6.910 -3.109 1.00 1.00 N ATOM 944 CA TRP A 61 -3.179 -6.174 -2.488 1.00 1.00 C ATOM 945 C TRP A 61 -2.963 -4.700 -2.526 1.00 1.00 C ATOM 946 O TRP A 61 -1.837 -4.204 -2.555 1.00 1.00 O ATOM 947 CB TRP A 61 -3.534 -6.754 -1.107 1.00 1.00 C ATOM 948 CG TRP A 61 -3.049 -6.078 0.153 1.00 1.00 C ATOM 949 CD1 TRP A 61 -1.894 -5.368 0.313 1.00 1.00 C ATOM 950 CD2 TRP A 61 -3.782 -5.936 1.384 1.00 1.00 C ATOM 951 NE1 TRP A 61 -1.890 -4.731 1.525 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.021 -5.102 2.211 1.00 1.00 C ATOM 953 CE3 TRP A 61 -4.983 -6.443 1.799 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -3.464 -4.781 3.466 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.412 -6.116 3.064 1.00 1.00 C ATOM 956 CH2 TRP A 61 -4.667 -5.300 3.883 1.00 1.00 C ATOM 0 H TRP A 61 -1.281 -7.005 -2.539 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.078 -6.308 -3.090 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.621 -6.803 -1.048 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.167 -7.780 -1.084 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.096 -5.316 -0.413 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.171 -4.091 1.861 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.574 -7.078 1.155 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -2.884 -4.137 4.111 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.353 -6.508 3.422 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.033 -5.063 4.871 1.00 1.00 H new ATOM 967 N LEU A 62 -4.059 -3.921 -2.516 1.00 1.00 N ATOM 968 CA LEU A 62 -4.046 -2.512 -2.265 1.00 1.00 C ATOM 969 C LEU A 62 -5.039 -2.253 -1.187 1.00 1.00 C ATOM 970 O LEU A 62 -6.240 -2.301 -1.449 1.00 1.00 O ATOM 971 CB LEU A 62 -4.536 -1.697 -3.474 1.00 1.00 C ATOM 972 CG LEU A 62 -3.572 -1.630 -4.670 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.245 -0.911 -5.853 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.240 -0.950 -4.311 1.00 1.00 C ATOM 0 H LEU A 62 -4.995 -4.288 -2.690 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.023 -2.224 -2.021 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -5.480 -2.121 -3.816 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.745 -0.680 -3.142 1.00 1.00 H new ATOM 0 HG LEU A 62 -3.337 -2.655 -4.957 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.553 -0.869 -6.694 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.142 -1.456 -6.147 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.517 0.102 -5.556 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -1.595 -0.928 -5.189 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.431 0.069 -3.975 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -1.749 -1.509 -3.514 1.00 1.00 H new ATOM 986 N ALA A 63 -4.616 -1.937 0.050 1.00 1.00 N ATOM 987 CA ALA A 63 -5.504 -1.345 1.001 1.00 1.00 C ATOM 988 C ALA A 63 -5.383 0.140 0.998 1.00 1.00 C ATOM 989 O ALA A 63 -4.337 0.723 0.715 1.00 1.00 O ATOM 990 CB ALA A 63 -5.455 -1.962 2.409 1.00 1.00 C ATOM 0 H ALA A 63 -3.666 -2.090 0.390 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.509 -1.593 0.661 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.163 -1.446 3.057 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -5.718 -3.018 2.353 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.449 -1.860 2.816 1.00 1.00 H new ATOM 996 N THR A 64 -6.534 0.798 1.224 1.00 1.00 N ATOM 997 CA THR A 64 -6.876 2.095 0.729 1.00 1.00 C ATOM 998 C THR A 64 -7.797 2.748 1.702 1.00 1.00 C ATOM 999 O THR A 64 -8.004 2.248 2.806 1.00 1.00 O ATOM 1000 CB THR A 64 -7.545 2.072 -0.613 1.00 1.00 C ATOM 1001 OG1 THR A 64 -8.729 1.290 -0.619 1.00 1.00 O ATOM 1002 CG2 THR A 64 -6.612 1.487 -1.687 1.00 1.00 C ATOM 0 H THR A 64 -7.278 0.394 1.793 1.00 1.00 H new ATOM 0 HA THR A 64 -5.942 2.644 0.611 1.00 1.00 H new ATOM 0 HB THR A 64 -7.792 3.111 -0.831 1.00 1.00 H new ATOM 0 HG1 THR A 64 -8.872 0.920 -1.515 1.00 1.00 H new ATOM 0 HG21 THR A 64 -7.123 1.483 -2.650 1.00 1.00 H new ATOM 0 HG22 THR A 64 -5.711 2.096 -1.757 1.00 1.00 H new ATOM 0 HG23 THR A 64 -6.340 0.467 -1.416 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.435 3.870 1.325 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.429 4.565 2.084 1.00 1.00 C ATOM 1012 C LYS A 65 -10.641 3.733 2.331 1.00 1.00 C ATOM 1013 O LYS A 65 -11.160 3.648 3.443 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.844 5.847 1.343 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.216 7.031 2.238 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.601 6.971 2.883 1.00 1.00 C ATOM 1017 CE LYS A 65 -11.997 8.248 3.629 1.00 1.00 C ATOM 1018 NZ LYS A 65 -11.139 8.435 4.821 1.00 1.00 N ATOM 0 H LYS A 65 -8.244 4.321 0.431 1.00 1.00 H new ATOM 0 HA LYS A 65 -8.986 4.805 3.051 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.026 6.150 0.690 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.695 5.617 0.702 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.471 7.111 3.030 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.152 7.944 1.646 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.342 6.770 2.110 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.630 6.132 3.579 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -11.903 9.108 2.966 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -13.043 8.191 3.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -11.430 9.296 5.327 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -11.237 7.614 5.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -10.147 8.527 4.523 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.139 3.078 1.266 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.391 2.390 1.257 1.00 1.00 C ATOM 1034 C GLN A 66 -12.368 1.055 1.920 1.00 1.00 C ATOM 1035 O GLN A 66 -13.390 0.566 2.396 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.812 2.269 -0.217 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.238 1.769 -0.456 1.00 1.00 C ATOM 1038 CD GLN A 66 -14.544 1.855 -1.944 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -13.791 1.357 -2.778 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -15.665 2.536 -2.306 1.00 1.00 N ATOM 0 H GLN A 66 -10.647 3.027 0.374 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.108 2.962 1.846 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -12.704 3.246 -0.689 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -12.120 1.594 -0.720 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.341 0.741 -0.108 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -14.949 2.370 0.111 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -16.271 2.938 -1.591 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -15.900 2.644 -3.293 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.191 0.408 1.999 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.045 -0.847 2.669 1.00 1.00 C ATOM 1051 C GLY A 67 -9.944 -1.648 2.063 1.00 1.00 C ATOM 1052 O GLY A 67 -9.026 -2.105 2.743 1.00 1.00 O ATOM 0 H GLY A 67 -10.326 0.762 1.591 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -10.838 -0.678 3.726 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -11.980 -1.405 2.613 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.011 -1.835 0.734 1.00 1.00 N ATOM 1057 CA GLY A 68 -8.983 -2.478 -0.024 1.00 1.00 C ATOM 1058 C GLY A 68 -9.444 -3.487 -1.018 1.00 1.00 C ATOM 1059 O GLY A 68 -10.566 -3.990 -0.986 1.00 1.00 O ATOM 0 H GLY A 68 -10.804 -1.530 0.169 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.413 -1.712 -0.550 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.298 -2.966 0.669 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.546 -3.805 -1.969 1.00 1.00 N ATOM 1064 CA TYR A 69 -8.776 -4.636 -3.110 1.00 1.00 C ATOM 1065 C TYR A 69 -7.611 -5.558 -3.224 1.00 1.00 C ATOM 1066 O TYR A 69 -6.547 -5.285 -2.673 1.00 1.00 O ATOM 1067 CB TYR A 69 -8.850 -3.780 -4.386 1.00 1.00 C ATOM 1068 CG TYR A 69 -9.486 -2.450 -4.164 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -10.811 -2.338 -3.816 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -8.722 -1.309 -4.227 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -11.360 -1.117 -3.505 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -9.260 -0.082 -3.920 1.00 1.00 C ATOM 1073 CZ TYR A 69 -10.581 0.015 -3.549 1.00 1.00 C ATOM 1074 OH TYR A 69 -11.115 1.275 -3.209 1.00 1.00 O ATOM 0 H TYR A 69 -7.589 -3.454 -1.936 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.714 -5.180 -2.997 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -7.843 -3.633 -4.777 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.411 -4.322 -5.147 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.430 -3.223 -3.787 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -7.685 -1.378 -4.522 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -12.401 -1.047 -3.227 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -8.646 0.805 -3.970 1.00 1.00 H new ATOM 0 HH TYR A 69 -12.027 1.163 -2.868 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.712 -6.676 -3.967 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.562 -7.317 -4.526 1.00 1.00 C ATOM 1086 C HIS A 70 -6.647 -7.234 -6.011 1.00 1.00 C ATOM 1087 O HIS A 70 -7.712 -6.979 -6.570 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.332 -8.770 -4.074 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.397 -9.776 -4.399 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -7.661 -10.253 -5.656 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.210 -10.452 -3.544 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -8.604 -11.171 -5.574 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -8.949 -11.316 -4.308 1.00 1.00 N ATOM 0 H HIS A 70 -8.596 -7.138 -4.181 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.694 -6.780 -4.145 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.398 -9.115 -4.516 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.191 -8.767 -2.993 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.263 -10.331 -2.472 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.025 -11.715 -6.406 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -9.652 -11.966 -3.956 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.507 -7.390 -6.709 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.455 -7.091 -8.106 1.00 1.00 C ATOM 1103 C PHE A 71 -4.716 -8.089 -8.929 1.00 1.00 C ATOM 1104 O PHE A 71 -3.706 -8.643 -8.501 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.998 -5.632 -8.274 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.579 -5.281 -7.987 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -2.666 -5.353 -9.013 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -3.196 -4.710 -6.796 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -1.395 -4.847 -8.873 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.930 -4.194 -6.647 1.00 1.00 C ATOM 1111 CZ PHE A 71 -1.032 -4.253 -7.686 1.00 1.00 C ATOM 0 H PHE A 71 -4.628 -7.720 -6.310 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.457 -7.183 -8.524 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -5.208 -5.338 -9.302 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.626 -5.015 -7.632 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -2.953 -5.816 -9.946 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -3.894 -4.667 -5.973 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -0.688 -4.915 -9.687 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -1.640 -3.741 -5.710 1.00 1.00 H new ATOM 0 HZ PHE A 71 -0.043 -3.834 -7.571 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.238 -8.362 -10.139 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.829 -9.407 -11.024 1.00 1.00 C ATOM 1123 C ASP A 72 -4.402 -8.840 -12.335 1.00 1.00 C ATOM 1124 O ASP A 72 -4.491 -7.636 -12.569 1.00 1.00 O ATOM 1125 CB ASP A 72 -6.003 -10.368 -11.282 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.376 -11.172 -10.044 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -5.793 -12.277 -9.877 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -7.323 -10.773 -9.316 1.00 1.00 O ATOM 0 H ASP A 72 -6.003 -7.809 -10.525 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.999 -9.937 -10.558 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.870 -9.798 -11.616 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.740 -11.051 -12.090 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.902 -9.665 -13.270 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.359 -9.228 -14.517 1.00 1.00 C ATOM 1135 C LEU A 73 -4.165 -9.666 -15.690 1.00 1.00 C ATOM 1136 O LEU A 73 -4.183 -10.839 -16.060 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.926 -9.773 -14.651 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.106 -9.219 -15.830 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.762 -7.733 -15.641 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.192 -10.024 -16.003 1.00 1.00 C ATOM 0 H LEU A 73 -3.875 -10.678 -13.153 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.370 -8.138 -14.515 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.388 -9.560 -13.727 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.977 -10.858 -14.747 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.723 -9.315 -16.724 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.183 -7.382 -16.495 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.682 -7.154 -15.563 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.177 -7.608 -14.730 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.761 -9.621 -16.840 1.00 1.00 H new ATOM 0 HD22 LEU A 73 0.787 -9.955 -15.093 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.051 -11.068 -16.199 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.843 -8.725 -16.371 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.467 -8.929 -17.643 1.00 1.00 C ATOM 1154 C LYS A 74 -4.480 -9.138 -18.739 1.00 1.00 C ATOM 1155 O LYS A 74 -4.648 -9.990 -19.610 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.337 -7.711 -17.994 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.793 -7.830 -17.536 1.00 1.00 C ATOM 1158 CD LYS A 74 -8.707 -8.527 -18.545 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.043 -7.663 -19.763 1.00 1.00 C ATOM 1160 NZ LYS A 74 -9.838 -8.430 -20.747 1.00 1.00 N ATOM 0 H LYS A 74 -4.962 -7.776 -16.018 1.00 1.00 H new ATOM 0 HA LYS A 74 -6.072 -9.832 -17.557 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -5.897 -6.822 -17.543 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -6.318 -7.563 -19.074 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.823 -8.378 -16.594 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -8.183 -6.832 -17.337 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -8.228 -9.446 -18.882 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -9.633 -8.814 -18.047 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.600 -6.781 -19.447 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -8.123 -7.309 -20.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -10.055 -7.825 -21.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -9.294 -9.258 -21.063 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -10.725 -8.747 -20.306 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.398 -8.339 -18.740 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.337 -8.463 -19.690 1.00 1.00 C ATOM 1176 C GLY A 75 -1.482 -7.241 -19.665 1.00 1.00 C ATOM 1177 O GLY A 75 -0.499 -7.155 -18.933 1.00 1.00 O ATOM 0 H GLY A 75 -3.257 -7.588 -18.064 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -1.735 -9.342 -19.462 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -2.748 -8.609 -20.689 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.857 -6.211 -20.445 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.182 -4.951 -20.478 1.00 1.00 C ATOM 1183 C ASP A 76 -1.768 -3.979 -19.511 1.00 1.00 C ATOM 1184 O ASP A 76 -1.775 -2.768 -19.719 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.217 -4.452 -21.932 1.00 1.00 C ATOM 1186 CG ASP A 76 -0.088 -3.478 -22.236 1.00 1.00 C ATOM 1187 OD1 ASP A 76 1.041 -3.676 -21.710 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -0.297 -2.519 -23.025 1.00 1.00 O ATOM 0 H ASP A 76 -2.658 -6.257 -21.075 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.146 -5.062 -20.158 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -1.150 -5.304 -22.608 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -2.174 -3.967 -22.124 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.323 -4.506 -18.406 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.052 -3.795 -17.403 1.00 1.00 C ATOM 1195 C GLU A 77 -3.231 -4.737 -16.261 1.00 1.00 C ATOM 1196 O GLU A 77 -3.737 -5.849 -16.408 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.391 -3.218 -17.894 1.00 1.00 C ATOM 1198 CG GLU A 77 -5.222 -4.097 -18.830 1.00 1.00 C ATOM 1199 CD GLU A 77 -6.025 -3.301 -19.848 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -6.281 -2.085 -19.640 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -6.393 -3.888 -20.899 1.00 1.00 O ATOM 0 H GLU A 77 -2.257 -5.503 -18.200 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.489 -2.911 -17.104 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.999 -2.983 -17.021 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.188 -2.276 -18.404 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -4.559 -4.783 -19.357 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -5.903 -4.706 -18.236 1.00 1.00 H new ATOM 1208 N TRP A 78 -2.788 -4.308 -15.067 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.191 -4.901 -13.830 1.00 1.00 C ATOM 1210 C TRP A 78 -4.528 -4.329 -13.507 1.00 1.00 C ATOM 1211 O TRP A 78 -4.742 -3.120 -13.594 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.191 -4.604 -12.700 1.00 1.00 C ATOM 1213 CG TRP A 78 -0.881 -5.356 -12.750 1.00 1.00 C ATOM 1214 CD1 TRP A 78 0.307 -4.965 -13.295 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.629 -6.615 -12.102 1.00 1.00 C ATOM 1216 NE1 TRP A 78 1.282 -5.888 -13.025 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.729 -6.906 -12.283 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.433 -7.466 -11.393 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.273 -8.044 -11.752 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.874 -8.598 -10.850 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.459 -8.883 -11.028 1.00 1.00 C ATOM 0 H TRP A 78 -2.135 -3.532 -14.958 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.229 -5.986 -13.925 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -1.973 -3.536 -12.708 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -2.675 -4.823 -11.748 1.00 1.00 H new ATOM 0 HD1 TRP A 78 0.457 -4.056 -13.859 1.00 1.00 H new ATOM 0 HE1 TRP A 78 2.255 -5.830 -13.324 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.484 -7.253 -11.263 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.317 -8.278 -11.898 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.491 -9.273 -10.275 1.00 1.00 H new ATOM 0 HH2 TRP A 78 0.873 -9.780 -10.592 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.535 -5.153 -13.169 1.00 1.00 N ATOM 1233 CA ILE A 79 -6.881 -4.713 -12.968 1.00 1.00 C ATOM 1234 C ILE A 79 -7.350 -5.121 -11.615 1.00 1.00 C ATOM 1235 O ILE A 79 -7.018 -6.179 -11.083 1.00 1.00 O ATOM 1236 CB ILE A 79 -7.774 -5.118 -14.103 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.366 -6.538 -14.067 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -7.125 -4.788 -15.456 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -7.385 -7.704 -13.969 1.00 1.00 C ATOM 0 H ILE A 79 -5.410 -6.156 -13.031 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.920 -3.624 -12.983 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.663 -4.503 -13.962 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -9.047 -6.598 -13.218 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -8.965 -6.676 -14.967 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -7.792 -5.091 -16.263 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -6.942 -3.715 -15.520 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -6.180 -5.323 -15.546 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -7.937 -8.644 -13.953 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -6.717 -7.691 -14.830 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.800 -7.611 -13.054 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.115 -4.238 -10.948 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.514 -4.414 -9.587 1.00 1.00 C ATOM 1253 C CYS A 80 -9.692 -5.313 -9.432 1.00 1.00 C ATOM 1254 O CYS A 80 -10.771 -5.024 -9.951 1.00 1.00 O ATOM 1255 CB CYS A 80 -8.823 -3.066 -8.917 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.294 -2.234 -8.393 1.00 1.00 S ATOM 0 H CYS A 80 -8.466 -3.377 -11.368 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.664 -4.887 -9.095 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.369 -2.427 -9.611 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.469 -3.224 -8.054 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.320 -2.048 -7.107 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.587 -6.427 -8.686 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.608 -7.423 -8.588 1.00 1.00 C ATOM 1264 C ASP A 81 -11.654 -7.070 -7.586 1.00 1.00 C ATOM 1265 O ASP A 81 -11.907 -7.799 -6.628 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.924 -8.763 -8.269 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.821 -9.988 -8.376 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.517 -10.158 -9.413 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.810 -10.822 -7.432 1.00 1.00 O ATOM 0 H ASP A 81 -8.759 -6.642 -8.130 1.00 1.00 H new ATOM 0 HA ASP A 81 -11.142 -7.496 -9.535 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.078 -8.891 -8.945 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.520 -8.715 -7.258 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.322 -5.917 -7.759 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.377 -5.468 -6.904 1.00 1.00 C ATOM 1276 C ARG A 82 -14.050 -4.281 -7.503 1.00 1.00 C ATOM 1277 O ARG A 82 -13.537 -3.165 -7.430 1.00 1.00 O ATOM 1278 CB ARG A 82 -12.857 -5.110 -5.502 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.898 -4.933 -4.393 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.739 -6.178 -4.106 1.00 1.00 C ATOM 1281 NE ARG A 82 -15.312 -6.061 -2.735 1.00 1.00 N ATOM 1282 CZ ARG A 82 -16.290 -5.187 -2.362 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -17.041 -4.482 -3.256 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -16.554 -5.000 -1.036 1.00 1.00 N ATOM 0 H ARG A 82 -12.120 -5.272 -8.523 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.091 -6.286 -6.803 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.161 -5.889 -5.191 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -12.286 -4.185 -5.580 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.387 -4.636 -3.477 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -14.565 -4.115 -4.665 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -15.537 -6.273 -4.842 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -14.125 -7.075 -4.184 1.00 1.00 H new ATOM 0 HE ARG A 82 -14.943 -6.685 -2.018 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -16.883 -4.596 -4.257 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -17.761 -3.840 -2.923 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -16.021 -5.512 -0.333 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -17.284 -4.348 -0.748 1.00 1.00 H new ATOM 1298 N SER A 83 -15.226 -4.472 -8.127 1.00 1.00 N ATOM 1299 CA SER A 83 -16.132 -3.459 -8.571 1.00 1.00 C ATOM 1300 C SER A 83 -15.785 -2.785 -9.854 1.00 1.00 C ATOM 1301 O SER A 83 -16.618 -2.671 -10.751 1.00 1.00 O ATOM 1302 CB SER A 83 -16.490 -2.408 -7.507 1.00 1.00 C ATOM 1303 OG SER A 83 -17.703 -1.736 -7.809 1.00 1.00 O ATOM 0 H SER A 83 -15.569 -5.409 -8.337 1.00 1.00 H new ATOM 0 HA SER A 83 -17.021 -4.058 -8.769 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.576 -2.892 -6.534 1.00 1.00 H new ATOM 0 HB3 SER A 83 -15.682 -1.680 -7.430 1.00 1.00 H new ATOM 0 HG SER A 83 -17.896 -1.078 -7.109 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.543 -2.294 -10.017 1.00 1.00 N ATOM 1310 CA GLY A 84 -14.176 -1.501 -11.149 1.00 1.00 C ATOM 1311 C GLY A 84 -12.715 -1.629 -11.409 1.00 1.00 C ATOM 1312 O GLY A 84 -11.888 -0.975 -10.774 1.00 1.00 O ATOM 0 H GLY A 84 -13.783 -2.450 -9.354 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -14.739 -1.821 -12.026 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.432 -0.457 -10.970 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.346 -2.532 -12.335 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.016 -3.037 -12.461 1.00 1.00 C ATOM 1318 C GLU A 85 -10.026 -2.219 -13.217 1.00 1.00 C ATOM 1319 O GLU A 85 -9.984 -2.175 -14.445 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.155 -4.484 -12.966 1.00 1.00 C ATOM 1321 CG GLU A 85 -11.524 -4.674 -14.438 1.00 1.00 C ATOM 1322 CD GLU A 85 -12.237 -5.984 -14.746 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -13.484 -6.021 -14.575 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -11.605 -6.941 -15.269 1.00 1.00 O ATOM 0 H GLU A 85 -12.995 -2.923 -13.018 1.00 1.00 H new ATOM 0 HA GLU A 85 -10.546 -2.987 -11.479 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -10.211 -4.998 -12.784 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.911 -4.983 -12.360 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -12.161 -3.846 -14.750 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -10.615 -4.620 -15.037 1.00 1.00 H new ATOM 1331 N THR A 86 -9.132 -1.517 -12.497 1.00 1.00 N ATOM 1332 CA THR A 86 -8.027 -0.815 -13.072 1.00 1.00 C ATOM 1333 C THR A 86 -7.003 -0.405 -12.071 1.00 1.00 C ATOM 1334 O THR A 86 -7.341 0.295 -11.119 1.00 1.00 O ATOM 1335 CB THR A 86 -8.370 0.487 -13.738 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.494 0.406 -14.603 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.206 0.934 -14.637 1.00 1.00 C ATOM 0 H THR A 86 -9.180 -1.436 -11.481 1.00 1.00 H new ATOM 0 HA THR A 86 -7.671 -1.555 -13.789 1.00 1.00 H new ATOM 0 HB THR A 86 -8.582 1.176 -12.921 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.617 -0.522 -14.894 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.460 1.879 -15.118 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.308 1.064 -14.032 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.023 0.177 -15.399 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.714 -0.742 -12.257 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.647 -0.350 -11.389 1.00 1.00 C ATOM 1347 C PHE A 87 -4.438 1.106 -11.150 1.00 1.00 C ATOM 1348 O PHE A 87 -4.899 1.643 -10.144 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.327 -0.977 -11.869 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.168 -0.912 -10.936 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -2.304 -0.858 -9.569 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -0.907 -0.973 -11.483 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -1.194 -0.861 -8.759 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.207 -1.001 -10.676 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.063 -0.952 -9.310 1.00 1.00 C ATOM 0 H PHE A 87 -5.403 -1.311 -13.044 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.970 -0.728 -10.419 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.515 -2.025 -12.103 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.040 -0.489 -12.801 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -3.289 -0.813 -9.129 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.790 -0.999 -12.556 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -1.309 -0.792 -7.687 1.00 1.00 H new ATOM 0 HE2 PHE A 87 1.192 -1.061 -11.115 1.00 1.00 H new ATOM 0 HZ PHE A 87 0.934 -0.985 -8.672 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.708 1.810 -12.032 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.199 3.132 -11.833 1.00 1.00 C ATOM 1367 C TRP A 88 -4.267 4.150 -11.622 1.00 1.00 C ATOM 1368 O TRP A 88 -4.079 5.185 -10.985 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.346 3.543 -13.046 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.154 2.674 -13.370 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.884 2.036 -14.546 1.00 1.00 C ATOM 1372 CD2 TRP A 88 -0.016 2.443 -12.517 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.328 1.402 -14.477 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.875 1.640 -13.239 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.291 2.871 -11.254 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.072 1.259 -12.696 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.487 2.462 -10.710 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.364 1.674 -11.417 1.00 1.00 C ATOM 0 H TRP A 88 -3.457 1.430 -12.945 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.599 3.102 -10.923 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.994 3.571 -13.922 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.990 4.560 -12.881 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.534 2.032 -15.409 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.753 0.847 -15.219 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.383 3.509 -10.702 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.767 0.650 -13.255 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 1.742 2.767 -9.706 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.297 1.376 -10.961 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.446 3.862 -12.200 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.636 4.652 -12.152 1.00 1.00 C ATOM 1391 C ASP A 89 -7.360 4.531 -10.856 1.00 1.00 C ATOM 1392 O ASP A 89 -7.761 5.524 -10.253 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.504 4.287 -13.369 1.00 1.00 C ATOM 1394 CG ASP A 89 -7.800 5.497 -14.243 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -8.713 6.293 -13.893 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -7.148 5.637 -15.311 1.00 1.00 O ATOM 0 H ASP A 89 -5.576 3.009 -12.744 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.372 5.708 -12.207 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -6.995 3.527 -13.962 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.442 3.849 -13.027 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.542 3.317 -10.303 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.177 3.189 -9.029 1.00 1.00 C ATOM 1403 C LEU A 90 -7.321 3.667 -7.909 1.00 1.00 C ATOM 1404 O LEU A 90 -7.745 4.336 -6.967 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.601 1.734 -8.760 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.449 1.559 -7.488 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.688 2.468 -7.437 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.905 0.100 -7.315 1.00 1.00 C ATOM 0 H LEU A 90 -7.254 2.437 -10.731 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.061 3.825 -9.072 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.167 1.366 -9.616 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.708 1.114 -8.678 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.788 1.851 -6.672 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.234 2.287 -6.511 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.376 3.512 -7.476 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.334 2.251 -8.288 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -10.502 0.011 -6.407 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.505 -0.198 -8.175 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -9.032 -0.548 -7.240 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.015 3.368 -8.021 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.947 3.899 -7.230 1.00 1.00 C ATOM 1422 C LEU A 91 -4.917 5.386 -7.152 1.00 1.00 C ATOM 1423 O LEU A 91 -4.802 5.952 -6.067 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.618 3.341 -7.767 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.388 3.467 -6.850 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -2.526 2.636 -5.564 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.133 3.006 -7.611 1.00 1.00 C ATOM 0 H LEU A 91 -5.680 2.703 -8.719 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.114 3.579 -6.202 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.762 2.286 -7.998 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.393 3.845 -8.707 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.305 4.515 -6.562 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.632 2.760 -4.953 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -3.398 2.974 -5.004 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -2.646 1.584 -5.822 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.261 3.095 -6.963 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.254 1.967 -7.916 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -0.993 3.630 -8.494 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.094 6.084 -8.288 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.294 7.497 -8.392 1.00 1.00 C ATOM 1441 C GLU A 92 -6.458 8.002 -7.610 1.00 1.00 C ATOM 1442 O GLU A 92 -6.327 8.974 -6.869 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.436 7.916 -9.865 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.667 9.402 -10.143 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.828 9.681 -11.632 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -4.801 9.880 -12.333 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -6.990 9.732 -12.115 1.00 1.00 O ATOM 0 H GLU A 92 -5.097 5.627 -9.200 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.405 7.953 -7.955 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.534 7.608 -10.394 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.265 7.357 -10.298 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -6.558 9.737 -9.612 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.828 9.979 -9.754 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.635 7.358 -7.700 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.820 7.682 -6.968 1.00 1.00 C ATOM 1456 C GLN A 93 -8.652 7.671 -5.487 1.00 1.00 C ATOM 1457 O GLN A 93 -8.966 8.627 -4.779 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.922 6.696 -7.392 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.345 7.029 -6.938 1.00 1.00 C ATOM 1460 CD GLN A 93 -12.329 5.989 -7.454 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.462 5.755 -8.654 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -13.083 5.328 -6.535 1.00 1.00 N ATOM 0 H GLN A 93 -7.767 6.561 -8.323 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.085 8.711 -7.210 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.918 6.626 -8.480 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -9.663 5.709 -7.009 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -11.386 7.067 -5.849 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -11.627 8.017 -7.302 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -12.967 5.528 -5.541 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -13.764 4.633 -6.839 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.087 6.573 -4.953 1.00 1.00 N ATOM 1472 CA ALA A 94 -7.720 6.395 -3.583 1.00 1.00 C ATOM 1473 C ALA A 94 -6.783 7.431 -3.064 1.00 1.00 C ATOM 1474 O ALA A 94 -6.999 8.034 -2.012 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.098 4.998 -3.425 1.00 1.00 C ATOM 0 H ALA A 94 -7.872 5.753 -5.520 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.628 6.499 -2.990 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.811 4.843 -2.385 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.825 4.241 -3.717 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.216 4.918 -4.060 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.696 7.719 -3.801 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.711 8.694 -3.446 1.00 1.00 C ATOM 1483 C ALA A 95 -5.228 10.091 -3.437 1.00 1.00 C ATOM 1484 O ALA A 95 -5.052 10.820 -2.462 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.525 8.585 -4.417 1.00 1.00 C ATOM 0 H ALA A 95 -5.494 7.251 -4.685 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.402 8.477 -2.423 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.770 9.325 -4.153 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.093 7.586 -4.353 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.870 8.766 -5.435 1.00 1.00 H new ATOM 1491 N THR A 96 -5.930 10.497 -4.510 1.00 1.00 N ATOM 1492 CA THR A 96 -6.620 11.738 -4.677 1.00 1.00 C ATOM 1493 C THR A 96 -7.471 12.119 -3.514 1.00 1.00 C ATOM 1494 O THR A 96 -7.362 13.228 -2.992 1.00 1.00 O ATOM 1495 CB THR A 96 -7.478 11.803 -5.905 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.701 11.619 -7.079 1.00 1.00 O ATOM 1497 CG2 THR A 96 -8.167 13.167 -6.069 1.00 1.00 C ATOM 0 H THR A 96 -6.021 9.902 -5.333 1.00 1.00 H new ATOM 0 HA THR A 96 -5.798 12.447 -4.774 1.00 1.00 H new ATOM 0 HB THR A 96 -8.219 11.014 -5.778 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.529 10.663 -7.211 1.00 1.00 H new ATOM 0 HG21 THR A 96 -8.776 13.161 -6.973 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.803 13.360 -5.205 1.00 1.00 H new ATOM 0 HG23 THR A 96 -7.412 13.949 -6.146 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.348 11.215 -3.045 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.207 11.522 -1.943 1.00 1.00 C ATOM 1507 C GLN A 97 -8.526 11.575 -0.619 1.00 1.00 C ATOM 1508 O GLN A 97 -8.850 12.417 0.217 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.430 10.590 -1.910 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.160 9.171 -1.406 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.322 8.241 -1.727 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -12.338 8.191 -1.033 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.160 7.472 -2.835 1.00 1.00 N ATOM 0 H GLN A 97 -8.463 10.276 -3.426 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.548 12.541 -2.125 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.194 11.043 -1.278 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.845 10.527 -2.916 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -9.247 8.788 -1.863 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.994 9.191 -0.329 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -10.303 7.543 -3.384 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -11.895 6.824 -3.118 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.537 10.704 -0.354 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.818 10.709 0.883 1.00 1.00 C ATOM 1524 C GLN A 98 -5.887 11.854 1.083 1.00 1.00 C ATOM 1525 O GLN A 98 -5.813 12.410 2.177 1.00 1.00 O ATOM 1526 CB GLN A 98 -6.065 9.378 1.038 1.00 1.00 C ATOM 1527 CG GLN A 98 -7.065 8.229 1.181 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.396 6.882 1.416 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -6.295 6.386 2.537 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -5.951 6.247 0.299 1.00 1.00 N ATOM 0 H GLN A 98 -7.231 9.984 -1.009 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.573 10.833 1.659 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -5.425 9.209 0.172 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.415 9.417 1.912 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -7.739 8.443 2.010 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -7.676 8.172 0.280 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -6.052 6.690 -0.614 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -5.516 5.327 0.374 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.130 12.248 0.043 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.193 13.327 0.109 1.00 1.00 C ATOM 1541 C ALA A 99 -4.813 14.668 -0.078 1.00 1.00 C ATOM 1542 O ALA A 99 -4.464 15.629 0.606 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.116 13.109 -0.967 1.00 1.00 C ATOM 0 H ALA A 99 -5.171 11.802 -0.873 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.766 13.322 1.112 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.394 13.924 -0.929 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.606 12.163 -0.785 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.584 13.085 -1.951 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.762 14.806 -1.022 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.400 16.051 -1.323 1.00 1.00 C ATOM 1551 C GLY A 100 -5.686 16.832 -2.372 1.00 1.00 C ATOM 1552 O GLY A 100 -5.556 18.051 -2.276 1.00 1.00 O ATOM 0 H GLY A 100 -6.095 14.029 -1.593 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.421 15.859 -1.652 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.465 16.649 -0.414 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.231 16.149 -3.438 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.477 16.689 -4.526 1.00 1.00 C ATOM 1558 C GLU A 101 -4.694 15.698 -5.617 1.00 1.00 C ATOM 1559 O GLU A 101 -5.143 14.587 -5.337 1.00 1.00 O ATOM 1560 CB GLU A 101 -2.993 16.815 -4.148 1.00 1.00 C ATOM 1561 CG GLU A 101 -1.942 16.992 -5.247 1.00 1.00 C ATOM 1562 CD GLU A 101 -2.057 18.262 -6.077 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -3.069 18.425 -6.809 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -1.122 19.105 -6.039 1.00 1.00 O ATOM 0 H GLU A 101 -5.403 15.149 -3.546 1.00 1.00 H new ATOM 0 HA GLU A 101 -4.783 17.695 -4.814 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -2.901 17.663 -3.470 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -2.725 15.923 -3.581 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -0.955 16.970 -4.786 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -1.999 16.135 -5.919 1.00 1.00 H new ATOM 1571 N THR A 102 -4.393 16.007 -6.890 1.00 1.00 N ATOM 1572 CA THR A 102 -4.378 15.029 -7.935 1.00 1.00 C ATOM 1573 C THR A 102 -3.133 14.217 -7.833 1.00 1.00 C ATOM 1574 O THR A 102 -2.105 14.518 -8.437 1.00 1.00 O ATOM 1575 CB THR A 102 -4.470 15.571 -9.330 1.00 1.00 C ATOM 1576 OG1 THR A 102 -5.648 16.349 -9.485 1.00 1.00 O ATOM 1577 CG2 THR A 102 -4.554 14.424 -10.352 1.00 1.00 C ATOM 0 H THR A 102 -4.156 16.949 -7.200 1.00 1.00 H new ATOM 0 HA THR A 102 -5.281 14.438 -7.779 1.00 1.00 H new ATOM 0 HB THR A 102 -3.580 16.176 -9.500 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.692 16.697 -10.400 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.620 14.837 -11.358 1.00 1.00 H new ATOM 0 HG22 THR A 102 -3.663 13.801 -10.274 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.438 13.820 -10.149 1.00 1.00 H new ATOM 1585 N VAL A 103 -3.164 13.139 -7.029 1.00 1.00 N ATOM 1586 CA VAL A 103 -2.029 12.290 -6.836 1.00 1.00 C ATOM 1587 C VAL A 103 -2.132 11.133 -7.771 1.00 1.00 C ATOM 1588 O VAL A 103 -2.599 10.037 -7.468 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.880 11.823 -5.418 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.531 11.114 -5.213 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.986 13.016 -4.455 1.00 1.00 C ATOM 0 H VAL A 103 -3.990 12.852 -6.504 1.00 1.00 H new ATOM 0 HA VAL A 103 -1.132 12.870 -7.051 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.682 11.115 -5.209 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.447 10.785 -4.177 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.470 10.250 -5.875 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.281 11.804 -5.442 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.877 12.666 -3.429 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -1.198 13.735 -4.679 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.958 13.494 -4.574 1.00 1.00 H new ATOM 1601 N SER A 104 -1.662 11.397 -9.003 1.00 1.00 N ATOM 1602 CA SER A 104 -1.666 10.514 -10.129 1.00 1.00 C ATOM 1603 C SER A 104 -0.355 9.819 -10.271 1.00 1.00 C ATOM 1604 O SER A 104 0.642 10.167 -9.641 1.00 1.00 O ATOM 1605 CB SER A 104 -1.974 11.277 -11.428 1.00 1.00 C ATOM 1606 OG SER A 104 -1.046 12.326 -11.667 1.00 1.00 O ATOM 0 H SER A 104 -1.246 12.301 -9.229 1.00 1.00 H new ATOM 0 HA SER A 104 -2.446 9.774 -9.954 1.00 1.00 H new ATOM 0 HB2 SER A 104 -1.959 10.582 -12.268 1.00 1.00 H new ATOM 0 HB3 SER A 104 -2.981 11.690 -11.375 1.00 1.00 H new ATOM 0 HG SER A 104 -1.277 12.783 -12.502 1.00 1.00 H new ATOM 1612 N PHE A 105 -0.300 8.786 -11.130 1.00 1.00 N ATOM 1613 CA PHE A 105 0.911 8.247 -11.665 1.00 1.00 C ATOM 1614 C PHE A 105 1.064 8.690 -13.079 1.00 1.00 C ATOM 1615 O PHE A 105 2.178 8.761 -13.594 1.00 1.00 O ATOM 1616 CB PHE A 105 0.873 6.710 -11.641 1.00 1.00 C ATOM 1617 CG PHE A 105 1.344 6.185 -10.327 1.00 1.00 C ATOM 1618 CD1 PHE A 105 0.506 6.138 -9.238 1.00 1.00 C ATOM 1619 CD2 PHE A 105 2.634 5.729 -10.204 1.00 1.00 C ATOM 1620 CE1 PHE A 105 0.955 5.646 -8.035 1.00 1.00 C ATOM 1621 CE2 PHE A 105 3.088 5.227 -9.007 1.00 1.00 C ATOM 1622 CZ PHE A 105 2.246 5.187 -7.921 1.00 1.00 C ATOM 0 H PHE A 105 -1.135 8.306 -11.466 1.00 1.00 H new ATOM 0 HA PHE A 105 1.745 8.600 -11.058 1.00 1.00 H new ATOM 0 HB2 PHE A 105 -0.143 6.365 -11.832 1.00 1.00 H new ATOM 0 HB3 PHE A 105 1.499 6.314 -12.441 1.00 1.00 H new ATOM 0 HD1 PHE A 105 -0.511 6.490 -9.328 1.00 1.00 H new ATOM 0 HD2 PHE A 105 3.298 5.765 -11.055 1.00 1.00 H new ATOM 0 HE1 PHE A 105 0.294 5.620 -7.181 1.00 1.00 H new ATOM 0 HE2 PHE A 105 4.102 4.866 -8.920 1.00 1.00 H new ATOM 0 HZ PHE A 105 2.599 4.795 -6.978 1.00 1.00 H new ATOM 1632 N ARG A 106 -0.059 8.969 -13.765 1.00 1.00 N ATOM 1633 CA ARG A 106 -0.103 9.225 -15.171 1.00 1.00 C ATOM 1634 C ARG A 106 -0.316 10.704 -15.460 1.00 1.00 C ATOM 1635 O ARG A 106 0.548 11.536 -15.076 1.00 1.00 O ATOM 1636 CB ARG A 106 -1.235 8.382 -15.783 1.00 1.00 C ATOM 1637 CG ARG A 106 -1.011 6.871 -15.699 1.00 1.00 C ATOM 1638 CD ARG A 106 0.001 6.305 -16.696 1.00 1.00 C ATOM 1639 NE ARG A 106 -0.638 6.424 -18.037 1.00 1.00 N ATOM 1640 CZ ARG A 106 -0.944 5.362 -18.837 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -0.338 4.144 -18.711 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -1.904 5.542 -19.791 1.00 1.00 N ATOM 1643 OXT ARG A 106 -1.330 11.081 -16.106 1.00 1.00 O ATOM 0 H ARG A 106 -0.976 9.018 -13.320 1.00 1.00 H new ATOM 0 HA ARG A 106 0.852 8.948 -15.618 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.169 8.628 -15.278 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -1.356 8.662 -16.830 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -0.679 6.625 -14.690 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -1.967 6.369 -15.852 1.00 1.00 H new ATOM 0 HD2 ARG A 106 0.938 6.860 -16.659 1.00 1.00 H new ATOM 0 HD3 ARG A 106 0.237 5.266 -16.466 1.00 1.00 H new ATOM 0 HE ARG A 106 -0.861 7.359 -18.379 1.00 1.00 H new ATOM 0 HH11 ARG A 106 0.375 4.001 -17.996 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -0.599 3.378 -19.332 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -2.365 6.447 -19.886 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -2.160 4.772 -20.408 1.00 1.00 H new