USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 973 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 68 GLN : amide:sc= -1.93 K(o=-2.2,f=-8.2!) USER MOD Set 1.2: A 83 THR OG1 : rot 166:sc= 1.28 USER MOD Set 1.3: A 93 HIS : no HE2:sc= -1.55 K(o=-2.2,f=-3.8) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 152:sc= 0.839 (180deg=0) USER MOD Set 2.2: A 27 ASN : amide:sc=-0.00417 K(o=0.84,f=-8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.969 X(o=-0.97,f=-0.63) USER MOD Single : A 18 SER OG : rot 140:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.843 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.579 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 44 THR OG1 : rot 48:sc= 0.847 USER MOD Single : A 46 GLN : amide:sc= -0.324 K(o=-0.32,f=-0.99) USER MOD Single : A 55 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.49) USER MOD Single : A 57 ASN : amide:sc= -4.08! C(o=-4.1!,f=-4.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 67 CYS SG : rot -88:sc= -5.55! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.33) USER MOD Single : A 90 SER OG : rot -17:sc= 0.754 USER MOD Single : A 95 CYS SG : rot -28:sc= -1.15 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -162:sc= -0.126 (180deg=-0.345) USER MOD Single : A 113 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.6!) USER MOD Single : A 114 SER OG : rot -73:sc= 0.643 USER MOD Single : A 115 THR OG1 : rot 11:sc= 0.45 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 49:sc= 0.735 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.100 9.757 17.016 1.00 0.00 N ATOM 2 CA GLY A 1 14.105 10.634 17.587 1.00 0.00 C ATOM 3 C GLY A 1 13.892 12.086 17.207 1.00 0.00 C ATOM 4 O GLY A 1 12.889 12.692 17.583 1.00 0.00 O ATOM 0 H1 GLY A 1 13.290 8.776 17.305 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.159 10.041 17.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.130 9.824 15.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.090 10.540 18.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.093 10.316 17.253 1.00 0.00 H new ATOM 8 N SER A 2 14.838 12.645 16.459 1.00 0.00 N ATOM 9 CA SER A 2 14.751 14.037 16.032 1.00 0.00 C ATOM 10 C SER A 2 14.315 14.131 14.573 1.00 0.00 C ATOM 11 O SER A 2 14.826 13.413 13.714 1.00 0.00 O ATOM 12 CB SER A 2 16.100 14.734 16.219 1.00 0.00 C ATOM 13 OG SER A 2 16.380 14.945 17.592 1.00 0.00 O ATOM 0 H SER A 2 15.673 12.156 16.136 1.00 0.00 H new ATOM 0 HA SER A 2 14.003 14.535 16.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.890 14.130 15.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.095 15.690 15.695 1.00 0.00 H new ATOM 0 HG SER A 2 17.248 15.390 17.684 1.00 0.00 H new ATOM 19 N SER A 3 13.366 15.022 14.302 1.00 0.00 N ATOM 20 CA SER A 3 12.857 15.208 12.949 1.00 0.00 C ATOM 21 C SER A 3 12.151 13.949 12.456 1.00 0.00 C ATOM 22 O SER A 3 12.375 13.497 11.334 1.00 0.00 O ATOM 23 CB SER A 3 13.998 15.572 11.998 1.00 0.00 C ATOM 24 OG SER A 3 14.690 16.724 12.448 1.00 0.00 O ATOM 0 H SER A 3 12.935 15.626 15.002 1.00 0.00 H new ATOM 0 HA SER A 3 12.135 16.024 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.692 14.735 11.920 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.600 15.750 10.999 1.00 0.00 H new ATOM 0 HG SER A 3 15.415 16.935 11.824 1.00 0.00 H new ATOM 30 N GLY A 4 11.295 13.387 13.304 1.00 0.00 N ATOM 31 CA GLY A 4 10.569 12.185 12.938 1.00 0.00 C ATOM 32 C GLY A 4 9.089 12.442 12.734 1.00 0.00 C ATOM 33 O GLY A 4 8.468 13.178 13.501 1.00 0.00 O ATOM 0 H GLY A 4 11.091 13.743 14.238 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.993 11.773 12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.700 11.433 13.717 1.00 0.00 H new ATOM 37 N SER A 5 8.522 11.834 11.697 1.00 0.00 N ATOM 38 CA SER A 5 7.106 12.005 11.391 1.00 0.00 C ATOM 39 C SER A 5 6.473 10.676 10.989 1.00 0.00 C ATOM 40 O SER A 5 6.784 10.121 9.935 1.00 0.00 O ATOM 41 CB SER A 5 6.925 13.029 10.269 1.00 0.00 C ATOM 42 OG SER A 5 5.644 13.632 10.331 1.00 0.00 O ATOM 0 H SER A 5 9.021 11.219 11.055 1.00 0.00 H new ATOM 0 HA SER A 5 6.607 12.369 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.696 13.796 10.345 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.055 12.541 9.303 1.00 0.00 H new ATOM 0 HG SER A 5 5.554 14.284 9.605 1.00 0.00 H new ATOM 48 N SER A 6 5.582 10.172 11.837 1.00 0.00 N ATOM 49 CA SER A 6 4.907 8.907 11.573 1.00 0.00 C ATOM 50 C SER A 6 3.458 9.141 11.155 1.00 0.00 C ATOM 51 O SER A 6 2.880 10.188 11.440 1.00 0.00 O ATOM 52 CB SER A 6 4.954 8.011 12.812 1.00 0.00 C ATOM 53 OG SER A 6 4.373 8.658 13.931 1.00 0.00 O ATOM 0 H SER A 6 5.311 10.620 12.712 1.00 0.00 H new ATOM 0 HA SER A 6 5.427 8.410 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.425 7.079 12.611 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.988 7.749 13.036 1.00 0.00 H new ATOM 0 HG SER A 6 4.414 8.064 14.710 1.00 0.00 H new ATOM 59 N GLY A 7 2.878 8.155 10.476 1.00 0.00 N ATOM 60 CA GLY A 7 1.502 8.272 10.030 1.00 0.00 C ATOM 61 C GLY A 7 1.011 7.020 9.332 1.00 0.00 C ATOM 62 O GLY A 7 1.528 6.643 8.279 1.00 0.00 O ATOM 0 H GLY A 7 3.336 7.278 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.862 8.481 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.414 9.121 9.352 1.00 0.00 H new ATOM 66 N LEU A 8 0.011 6.371 9.918 1.00 0.00 N ATOM 67 CA LEU A 8 -0.550 5.152 9.347 1.00 0.00 C ATOM 68 C LEU A 8 -1.793 5.460 8.518 1.00 0.00 C ATOM 69 O LEU A 8 -2.580 6.342 8.864 1.00 0.00 O ATOM 70 CB LEU A 8 -0.897 4.158 10.456 1.00 0.00 C ATOM 71 CG LEU A 8 -1.422 2.797 9.998 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.294 1.956 9.420 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.095 2.069 11.153 1.00 0.00 C ATOM 0 H LEU A 8 -0.428 6.669 10.789 1.00 0.00 H new ATOM 0 HA LEU A 8 0.200 4.709 8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.006 3.996 11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.645 4.614 11.104 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.163 2.960 9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.687 0.991 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.143 2.472 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.471 1.802 10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.463 1.102 10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.375 1.918 11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.930 2.665 11.521 1.00 0.00 H new ATOM 85 N VAL A 9 -1.964 4.727 7.422 1.00 0.00 N ATOM 86 CA VAL A 9 -3.113 4.920 6.546 1.00 0.00 C ATOM 87 C VAL A 9 -4.193 3.878 6.817 1.00 0.00 C ATOM 88 O VAL A 9 -5.317 4.216 7.188 1.00 0.00 O ATOM 89 CB VAL A 9 -2.706 4.846 5.062 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.887 5.186 4.166 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.532 5.774 4.786 1.00 0.00 C ATOM 0 H VAL A 9 -1.322 3.995 7.120 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.509 5.913 6.758 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.394 3.826 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.580 5.128 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.696 4.478 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.233 6.196 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.257 5.710 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.815 6.799 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.682 5.479 5.402 1.00 0.00 H new ATOM 101 N ARG A 10 -3.843 2.609 6.631 1.00 0.00 N ATOM 102 CA ARG A 10 -4.782 1.517 6.855 1.00 0.00 C ATOM 103 C ARG A 10 -4.050 0.252 7.293 1.00 0.00 C ATOM 104 O ARG A 10 -2.821 0.207 7.306 1.00 0.00 O ATOM 105 CB ARG A 10 -5.587 1.239 5.584 1.00 0.00 C ATOM 106 CG ARG A 10 -4.873 0.329 4.598 1.00 0.00 C ATOM 107 CD ARG A 10 -5.592 0.284 3.259 1.00 0.00 C ATOM 108 NE ARG A 10 -5.675 1.603 2.638 1.00 0.00 N ATOM 109 CZ ARG A 10 -6.656 2.467 2.877 1.00 0.00 C ATOM 110 NH1 ARG A 10 -7.631 2.152 3.718 1.00 0.00 N ATOM 111 NH2 ARG A 10 -6.662 3.649 2.273 1.00 0.00 N ATOM 0 H ARG A 10 -2.916 2.312 6.326 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.464 1.816 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.540 0.786 5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.814 2.186 5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.851 0.680 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.808 -0.678 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.070 -0.400 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.597 -0.114 3.400 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.940 1.876 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.630 1.244 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.383 2.817 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.913 3.894 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.415 4.312 2.457 1.00 0.00 H new ATOM 125 N GLY A 11 -4.816 -0.774 7.653 1.00 0.00 N ATOM 126 CA GLY A 11 -4.223 -2.025 8.088 1.00 0.00 C ATOM 127 C GLY A 11 -5.028 -3.232 7.648 1.00 0.00 C ATOM 128 O GLY A 11 -5.649 -3.219 6.586 1.00 0.00 O ATOM 0 H GLY A 11 -5.836 -0.761 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.211 -2.102 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.138 -2.025 9.175 1.00 0.00 H new ATOM 132 N GLY A 12 -5.016 -4.280 8.466 1.00 0.00 N ATOM 133 CA GLY A 12 -5.752 -5.486 8.137 1.00 0.00 C ATOM 134 C GLY A 12 -4.854 -6.703 8.032 1.00 0.00 C ATOM 135 O GLY A 12 -3.644 -6.576 7.848 1.00 0.00 O ATOM 0 H GLY A 12 -4.510 -4.315 9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.512 -5.663 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.276 -5.342 7.192 1.00 0.00 H new ATOM 139 N TRP A 13 -5.448 -7.886 8.150 1.00 0.00 N ATOM 140 CA TRP A 13 -4.692 -9.131 8.069 1.00 0.00 C ATOM 141 C TRP A 13 -4.845 -9.772 6.694 1.00 0.00 C ATOM 142 O TRP A 13 -5.928 -9.755 6.108 1.00 0.00 O ATOM 143 CB TRP A 13 -5.156 -10.104 9.154 1.00 0.00 C ATOM 144 CG TRP A 13 -4.628 -9.771 10.516 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.107 -8.819 11.371 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.519 -10.387 11.180 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.362 -8.806 12.525 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.383 -9.759 12.434 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.629 -11.409 10.838 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.392 -10.120 13.343 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.647 -11.766 11.742 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.535 -11.124 12.982 1.00 0.00 C ATOM 0 H TRP A 13 -6.449 -8.009 8.302 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.639 -8.899 8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.246 -10.109 9.186 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.841 -11.112 8.887 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.948 -8.172 11.169 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.514 -8.187 13.321 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.707 -11.910 9.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.303 -9.625 14.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.953 -12.554 11.488 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.757 -11.427 13.667 1.00 0.00 H new ATOM 163 N LEU A 14 -3.756 -10.336 6.185 1.00 0.00 N ATOM 164 CA LEU A 14 -3.770 -10.984 4.878 1.00 0.00 C ATOM 165 C LEU A 14 -2.962 -12.277 4.903 1.00 0.00 C ATOM 166 O LEU A 14 -1.931 -12.364 5.570 1.00 0.00 O ATOM 167 CB LEU A 14 -3.210 -10.039 3.813 1.00 0.00 C ATOM 168 CG LEU A 14 -3.981 -8.737 3.599 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.099 -7.699 2.923 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.236 -8.989 2.776 1.00 0.00 C ATOM 0 H LEU A 14 -2.852 -10.358 6.657 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.803 -11.228 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.183 -9.790 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.171 -10.575 2.865 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.281 -8.351 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.665 -6.779 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.230 -7.496 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.768 -8.077 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.772 -8.051 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.958 -9.399 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.878 -9.698 3.299 1.00 0.00 H new ATOM 182 N TRP A 15 -3.435 -13.279 4.170 1.00 0.00 N ATOM 183 CA TRP A 15 -2.755 -14.567 4.106 1.00 0.00 C ATOM 184 C TRP A 15 -1.651 -14.548 3.055 1.00 0.00 C ATOM 185 O TRP A 15 -1.919 -14.403 1.862 1.00 0.00 O ATOM 186 CB TRP A 15 -3.756 -15.680 3.792 1.00 0.00 C ATOM 187 CG TRP A 15 -4.601 -16.068 4.968 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.912 -15.749 5.175 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.191 -16.846 6.098 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.343 -16.282 6.366 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.306 -16.960 6.951 1.00 0.00 C ATOM 192 CE3 TRP A 15 -2.992 -17.459 6.471 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.255 -17.660 8.153 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -2.943 -18.153 7.665 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.068 -18.250 8.494 1.00 0.00 C ATOM 0 H TRP A 15 -4.287 -13.224 3.612 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.302 -14.759 5.078 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.405 -15.356 2.978 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.214 -16.557 3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.521 -15.164 4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.282 -16.188 6.752 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.120 -17.392 5.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.121 -17.735 8.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.021 -18.629 7.964 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.997 -18.801 9.420 1.00 0.00 H new ATOM 206 N ARG A 16 -0.409 -14.696 3.504 1.00 0.00 N ATOM 207 CA ARG A 16 0.736 -14.695 2.602 1.00 0.00 C ATOM 208 C ARG A 16 1.327 -16.096 2.472 1.00 0.00 C ATOM 209 O ARG A 16 1.428 -16.830 3.454 1.00 0.00 O ATOM 210 CB ARG A 16 1.805 -13.722 3.101 1.00 0.00 C ATOM 211 CG ARG A 16 3.114 -13.809 2.333 1.00 0.00 C ATOM 212 CD ARG A 16 3.849 -12.478 2.332 1.00 0.00 C ATOM 213 NE ARG A 16 4.709 -12.326 3.503 1.00 0.00 N ATOM 214 CZ ARG A 16 5.916 -12.870 3.603 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.404 -13.598 2.608 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.639 -12.687 4.701 1.00 0.00 N ATOM 0 H ARG A 16 -0.170 -14.818 4.488 1.00 0.00 H new ATOM 0 HA ARG A 16 0.392 -14.372 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.419 -12.705 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.999 -13.918 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.748 -14.576 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.915 -14.117 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.451 -12.397 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.125 -11.664 2.306 1.00 0.00 H new ATOM 0 HE ARG A 16 4.363 -11.772 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.852 -13.741 1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.332 -14.014 2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.267 -12.128 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.566 -13.105 4.777 1.00 0.00 H new ATOM 230 N GLN A 17 1.716 -16.458 1.254 1.00 0.00 N ATOM 231 CA GLN A 17 2.296 -17.771 0.996 1.00 0.00 C ATOM 232 C GLN A 17 3.819 -17.715 1.061 1.00 0.00 C ATOM 233 O GLN A 17 4.458 -17.010 0.281 1.00 0.00 O ATOM 234 CB GLN A 17 1.851 -18.289 -0.373 1.00 0.00 C ATOM 235 CG GLN A 17 1.762 -19.804 -0.450 1.00 0.00 C ATOM 236 CD GLN A 17 1.201 -20.289 -1.772 1.00 0.00 C ATOM 237 OE1 GLN A 17 1.929 -20.424 -2.757 1.00 0.00 O ATOM 238 NE2 GLN A 17 -0.099 -20.555 -1.802 1.00 0.00 N ATOM 0 H GLN A 17 1.640 -15.861 0.430 1.00 0.00 H new ATOM 0 HA GLN A 17 1.942 -18.455 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.877 -17.863 -0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.550 -17.935 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.754 -20.230 -0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.134 -20.169 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.665 -20.429 -0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.532 -20.885 -2.664 1.00 0.00 H new ATOM 247 N SER A 18 4.394 -18.463 1.998 1.00 0.00 N ATOM 248 CA SER A 18 5.842 -18.496 2.168 1.00 0.00 C ATOM 249 C SER A 18 6.531 -18.916 0.873 1.00 0.00 C ATOM 250 O SER A 18 5.874 -19.218 -0.123 1.00 0.00 O ATOM 251 CB SER A 18 6.222 -19.456 3.297 1.00 0.00 C ATOM 252 OG SER A 18 6.183 -18.805 4.555 1.00 0.00 O ATOM 0 H SER A 18 3.879 -19.054 2.651 1.00 0.00 H new ATOM 0 HA SER A 18 6.176 -17.492 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.538 -20.305 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.222 -19.853 3.120 1.00 0.00 H new ATOM 0 HG SER A 18 5.798 -19.409 5.224 1.00 0.00 H new ATOM 258 N SER A 19 7.860 -18.934 0.897 1.00 0.00 N ATOM 259 CA SER A 19 8.640 -19.313 -0.275 1.00 0.00 C ATOM 260 C SER A 19 9.014 -20.791 -0.224 1.00 0.00 C ATOM 261 O SER A 19 8.686 -21.557 -1.131 1.00 0.00 O ATOM 262 CB SER A 19 9.906 -18.459 -0.370 1.00 0.00 C ATOM 263 OG SER A 19 9.672 -17.283 -1.126 1.00 0.00 O ATOM 0 H SER A 19 8.419 -18.691 1.715 1.00 0.00 H new ATOM 0 HA SER A 19 8.027 -19.141 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.243 -18.190 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.706 -19.039 -0.831 1.00 0.00 H new ATOM 0 HG SER A 19 10.495 -16.754 -1.171 1.00 0.00 H new ATOM 269 N ILE A 20 9.701 -21.185 0.843 1.00 0.00 N ATOM 270 CA ILE A 20 10.118 -22.571 1.013 1.00 0.00 C ATOM 271 C ILE A 20 8.972 -23.430 1.538 1.00 0.00 C ATOM 272 O ILE A 20 8.816 -24.585 1.142 1.00 0.00 O ATOM 273 CB ILE A 20 11.313 -22.685 1.978 1.00 0.00 C ATOM 274 CG1 ILE A 20 11.788 -24.136 2.068 1.00 0.00 C ATOM 275 CG2 ILE A 20 10.934 -22.160 3.355 1.00 0.00 C ATOM 276 CD1 ILE A 20 12.805 -24.506 1.011 1.00 0.00 C ATOM 0 H ILE A 20 9.980 -20.564 1.602 1.00 0.00 H new ATOM 0 HA ILE A 20 10.419 -22.932 0.030 1.00 0.00 H new ATOM 0 HB ILE A 20 12.132 -22.078 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 20 12.221 -24.307 3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.927 -24.798 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.789 -22.247 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.639 -21.113 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.102 -22.743 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.097 -25.549 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.369 -24.367 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.684 -23.869 1.113 1.00 0.00 H new ATOM 288 N LEU A 21 8.172 -22.857 2.430 1.00 0.00 N ATOM 289 CA LEU A 21 7.037 -23.569 3.009 1.00 0.00 C ATOM 290 C LEU A 21 5.831 -23.521 2.076 1.00 0.00 C ATOM 291 O LEU A 21 4.881 -24.287 2.234 1.00 0.00 O ATOM 292 CB LEU A 21 6.671 -22.967 4.366 1.00 0.00 C ATOM 293 CG LEU A 21 7.825 -22.781 5.352 1.00 0.00 C ATOM 294 CD1 LEU A 21 7.404 -21.881 6.503 1.00 0.00 C ATOM 295 CD2 LEU A 21 8.302 -24.129 5.874 1.00 0.00 C ATOM 0 H LEU A 21 8.288 -21.902 2.768 1.00 0.00 H new ATOM 0 HA LEU A 21 7.325 -24.611 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.205 -21.996 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.920 -23.604 4.833 1.00 0.00 H new ATOM 0 HG LEU A 21 8.652 -22.303 4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.238 -21.760 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.111 -20.906 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.561 -22.331 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.123 -23.978 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.480 -24.634 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.644 -24.742 5.040 1.00 0.00 H new ATOM 307 N ARG A 22 5.878 -22.617 1.102 1.00 0.00 N ATOM 308 CA ARG A 22 4.790 -22.470 0.143 1.00 0.00 C ATOM 309 C ARG A 22 3.436 -22.605 0.833 1.00 0.00 C ATOM 310 O ARG A 22 2.443 -22.978 0.207 1.00 0.00 O ATOM 311 CB ARG A 22 4.916 -23.515 -0.967 1.00 0.00 C ATOM 312 CG ARG A 22 6.111 -23.293 -1.879 1.00 0.00 C ATOM 313 CD ARG A 22 6.210 -24.378 -2.941 1.00 0.00 C ATOM 314 NE ARG A 22 7.171 -24.035 -3.986 1.00 0.00 N ATOM 315 CZ ARG A 22 7.145 -24.556 -5.208 1.00 0.00 C ATOM 316 NH1 ARG A 22 6.212 -25.439 -5.536 1.00 0.00 N ATOM 317 NH2 ARG A 22 8.054 -24.193 -6.104 1.00 0.00 N ATOM 0 H ARG A 22 6.658 -21.976 0.957 1.00 0.00 H new ATOM 0 HA ARG A 22 4.857 -21.474 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.993 -24.504 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.006 -23.508 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.027 -22.318 -2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.025 -23.278 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.503 -25.318 -2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.229 -24.538 -3.389 1.00 0.00 H new ATOM 0 HE ARG A 22 7.902 -23.359 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.512 -25.720 -4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.194 -25.837 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.773 -23.514 -5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.034 -24.593 -7.042 1.00 0.00 H new ATOM 331 N ARG A 23 3.403 -22.301 2.126 1.00 0.00 N ATOM 332 CA ARG A 23 2.171 -22.390 2.901 1.00 0.00 C ATOM 333 C ARG A 23 1.675 -21.002 3.295 1.00 0.00 C ATOM 334 O ARG A 23 2.470 -20.096 3.546 1.00 0.00 O ATOM 335 CB ARG A 23 2.392 -23.239 4.154 1.00 0.00 C ATOM 336 CG ARG A 23 2.113 -24.718 3.945 1.00 0.00 C ATOM 337 CD ARG A 23 2.899 -25.578 4.922 1.00 0.00 C ATOM 338 NE ARG A 23 4.274 -25.794 4.478 1.00 0.00 N ATOM 339 CZ ARG A 23 5.058 -26.753 4.956 1.00 0.00 C ATOM 340 NH1 ARG A 23 4.606 -27.581 5.888 1.00 0.00 N ATOM 341 NH2 ARG A 23 6.297 -26.887 4.502 1.00 0.00 N ATOM 0 H ARG A 23 4.215 -21.991 2.659 1.00 0.00 H new ATOM 0 HA ARG A 23 1.413 -22.864 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.422 -23.116 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.751 -22.866 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.047 -24.909 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.372 -24.997 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.905 -25.100 5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.401 -26.540 5.040 1.00 0.00 H new ATOM 0 HE ARG A 23 4.652 -25.174 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.654 -27.482 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.211 -28.317 6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.649 -26.253 3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.898 -27.624 4.870 1.00 0.00 H new ATOM 355 N TRP A 24 0.358 -20.843 3.347 1.00 0.00 N ATOM 356 CA TRP A 24 -0.244 -19.565 3.710 1.00 0.00 C ATOM 357 C TRP A 24 0.020 -19.235 5.175 1.00 0.00 C ATOM 358 O TRP A 24 0.040 -20.123 6.028 1.00 0.00 O ATOM 359 CB TRP A 24 -1.750 -19.593 3.444 1.00 0.00 C ATOM 360 CG TRP A 24 -2.095 -19.683 1.988 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.589 -20.771 1.329 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.969 -18.643 1.012 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.778 -20.471 0.001 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.406 -19.171 -0.218 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.532 -17.316 1.058 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.416 -18.419 -1.390 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.542 -16.571 -0.106 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.982 -17.123 -1.316 1.00 0.00 C ATOM 0 H TRP A 24 -0.314 -21.583 3.142 1.00 0.00 H new ATOM 0 HA TRP A 24 0.212 -18.789 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.188 -20.443 3.967 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.202 -18.694 3.862 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.800 -21.727 1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.137 -21.112 -0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.193 -16.881 1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.754 -18.843 -2.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.205 -15.545 -0.082 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.979 -16.514 -2.208 1.00 0.00 H new ATOM 379 N LYS A 25 0.221 -17.954 5.462 1.00 0.00 N ATOM 380 CA LYS A 25 0.483 -17.506 6.825 1.00 0.00 C ATOM 381 C LYS A 25 -0.176 -16.156 7.090 1.00 0.00 C ATOM 382 O LYS A 25 -0.267 -15.313 6.197 1.00 0.00 O ATOM 383 CB LYS A 25 1.990 -17.407 7.071 1.00 0.00 C ATOM 384 CG LYS A 25 2.642 -16.221 6.382 1.00 0.00 C ATOM 385 CD LYS A 25 4.152 -16.379 6.310 1.00 0.00 C ATOM 386 CE LYS A 25 4.792 -16.243 7.683 1.00 0.00 C ATOM 387 NZ LYS A 25 5.145 -14.830 7.994 1.00 0.00 N ATOM 0 H LYS A 25 0.208 -17.206 4.768 1.00 0.00 H new ATOM 0 HA LYS A 25 0.057 -18.239 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.171 -17.338 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.467 -18.324 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.238 -16.117 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.396 -15.306 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.397 -17.354 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.566 -15.627 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.107 -16.621 8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.690 -16.860 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.122 -14.685 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.100 -14.624 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.460 -14.193 7.539 1.00 0.00 H new ATOM 401 N ARG A 26 -0.632 -15.957 8.322 1.00 0.00 N ATOM 402 CA ARG A 26 -1.282 -14.709 8.704 1.00 0.00 C ATOM 403 C ARG A 26 -0.254 -13.598 8.897 1.00 0.00 C ATOM 404 O ARG A 26 0.685 -13.736 9.680 1.00 0.00 O ATOM 405 CB ARG A 26 -2.088 -14.901 9.990 1.00 0.00 C ATOM 406 CG ARG A 26 -3.510 -15.382 9.751 1.00 0.00 C ATOM 407 CD ARG A 26 -4.017 -16.221 10.914 1.00 0.00 C ATOM 408 NE ARG A 26 -3.177 -17.392 11.152 1.00 0.00 N ATOM 409 CZ ARG A 26 -3.460 -18.330 12.048 1.00 0.00 C ATOM 410 NH1 ARG A 26 -4.557 -18.235 12.787 1.00 0.00 N ATOM 411 NH2 ARG A 26 -2.646 -19.366 12.207 1.00 0.00 N ATOM 0 H ARG A 26 -0.563 -16.644 9.073 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.958 -14.420 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.573 -15.619 10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.119 -13.957 10.534 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.166 -14.524 9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.547 -15.969 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.049 -15.609 11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.038 -16.543 10.711 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.326 -17.495 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.185 -17.440 12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.773 -18.957 13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.801 -19.443 11.640 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.865 -20.086 12.896 1.00 0.00 H new ATOM 425 N ASN A 27 -0.439 -12.496 8.177 1.00 0.00 N ATOM 426 CA ASN A 27 0.473 -11.361 8.268 1.00 0.00 C ATOM 427 C ASN A 27 -0.295 -10.043 8.234 1.00 0.00 C ATOM 428 O ASN A 27 -1.162 -9.839 7.385 1.00 0.00 O ATOM 429 CB ASN A 27 1.488 -11.403 7.124 1.00 0.00 C ATOM 430 CG ASN A 27 2.733 -12.189 7.484 1.00 0.00 C ATOM 431 OD1 ASN A 27 3.158 -13.075 6.742 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.325 -11.868 8.629 1.00 0.00 N ATOM 0 H ASN A 27 -1.212 -12.365 7.524 1.00 0.00 H new ATOM 0 HA ASN A 27 1.004 -11.428 9.218 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.022 -11.848 6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.770 -10.385 6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.167 -12.363 8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.938 -11.127 9.213 1.00 0.00 H new ATOM 439 N TRP A 28 0.031 -9.152 9.163 1.00 0.00 N ATOM 440 CA TRP A 28 -0.627 -7.852 9.240 1.00 0.00 C ATOM 441 C TRP A 28 0.137 -6.807 8.435 1.00 0.00 C ATOM 442 O TRP A 28 1.189 -6.330 8.860 1.00 0.00 O ATOM 443 CB TRP A 28 -0.747 -7.404 10.697 1.00 0.00 C ATOM 444 CG TRP A 28 -1.626 -6.203 10.879 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.991 -6.177 10.864 1.00 0.00 C ATOM 446 CD2 TRP A 28 -1.199 -4.854 11.099 1.00 0.00 C ATOM 447 NE1 TRP A 28 -3.439 -4.893 11.063 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.359 -4.063 11.211 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.050 -4.239 11.216 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -2.304 -2.689 11.431 1.00 0.00 C ATOM 451 CZ3 TRP A 28 0.103 -2.875 11.434 1.00 0.00 C ATOM 452 CH2 TRP A 28 -1.068 -2.113 11.541 1.00 0.00 C ATOM 0 H TRP A 28 0.747 -9.305 9.873 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.626 -7.952 8.815 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.142 -8.228 11.292 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.247 -7.180 11.084 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.625 -7.039 10.717 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.417 -4.605 11.095 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.958 -4.819 11.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.205 -2.099 11.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.063 -2.388 11.523 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.993 -1.050 11.714 1.00 0.00 H new ATOM 463 N PHE A 29 -0.399 -6.455 7.271 1.00 0.00 N ATOM 464 CA PHE A 29 0.234 -5.466 6.406 1.00 0.00 C ATOM 465 C PHE A 29 -0.356 -4.079 6.644 1.00 0.00 C ATOM 466 O PHE A 29 -1.568 -3.924 6.788 1.00 0.00 O ATOM 467 CB PHE A 29 0.064 -5.859 4.937 1.00 0.00 C ATOM 468 CG PHE A 29 0.929 -7.015 4.522 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.602 -8.310 4.891 1.00 0.00 C ATOM 470 CD2 PHE A 29 2.069 -6.807 3.763 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.395 -9.376 4.511 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.866 -7.869 3.379 1.00 0.00 C ATOM 473 CZ PHE A 29 2.529 -9.155 3.755 1.00 0.00 C ATOM 0 H PHE A 29 -1.270 -6.840 6.905 1.00 0.00 H new ATOM 0 HA PHE A 29 1.297 -5.436 6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.980 -6.113 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.296 -4.998 4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.284 -8.488 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.338 -5.804 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.128 -10.380 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.751 -7.694 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.152 -9.986 3.458 1.00 0.00 H new ATOM 483 N ALA A 30 0.512 -3.073 6.685 1.00 0.00 N ATOM 484 CA ALA A 30 0.078 -1.699 6.905 1.00 0.00 C ATOM 485 C ALA A 30 0.839 -0.733 6.003 1.00 0.00 C ATOM 486 O ALA A 30 2.027 -0.920 5.736 1.00 0.00 O ATOM 487 CB ALA A 30 0.261 -1.315 8.365 1.00 0.00 C ATOM 0 H ALA A 30 1.519 -3.184 6.569 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.981 -1.634 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.067 -0.286 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.332 -1.980 8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.313 -1.403 8.635 1.00 0.00 H new ATOM 493 N LEU A 31 0.148 0.300 5.534 1.00 0.00 N ATOM 494 CA LEU A 31 0.758 1.297 4.661 1.00 0.00 C ATOM 495 C LEU A 31 1.218 2.512 5.459 1.00 0.00 C ATOM 496 O LEU A 31 0.609 2.872 6.466 1.00 0.00 O ATOM 497 CB LEU A 31 -0.231 1.729 3.577 1.00 0.00 C ATOM 498 CG LEU A 31 0.304 2.705 2.530 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.437 2.070 1.737 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.813 3.155 1.600 1.00 0.00 C ATOM 0 H LEU A 31 -0.836 0.469 5.744 1.00 0.00 H new ATOM 0 HA LEU A 31 1.630 0.845 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.589 0.837 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.094 2.185 4.062 1.00 0.00 H new ATOM 0 HG LEU A 31 0.696 3.582 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.805 2.780 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.247 1.799 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.071 1.176 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.414 3.850 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.235 2.288 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.592 3.650 2.180 1.00 0.00 H new ATOM 512 N TRP A 32 2.295 3.141 5.001 1.00 0.00 N ATOM 513 CA TRP A 32 2.835 4.318 5.672 1.00 0.00 C ATOM 514 C TRP A 32 2.752 5.545 4.770 1.00 0.00 C ATOM 515 O TRP A 32 2.701 5.425 3.545 1.00 0.00 O ATOM 516 CB TRP A 32 4.287 4.073 6.087 1.00 0.00 C ATOM 517 CG TRP A 32 4.436 2.995 7.118 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.014 1.770 6.945 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.998 3.045 8.480 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.962 1.056 8.118 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.344 1.816 9.075 1.00 0.00 C ATOM 522 CE3 TRP A 32 3.349 4.010 9.256 1.00 0.00 C ATOM 523 CZ2 TRP A 32 4.061 1.529 10.407 1.00 0.00 C ATOM 524 CZ3 TRP A 32 3.068 3.722 10.578 1.00 0.00 C ATOM 525 CH2 TRP A 32 3.424 2.491 11.143 1.00 0.00 C ATOM 0 H TRP A 32 2.811 2.856 4.169 1.00 0.00 H new ATOM 0 HA TRP A 32 2.236 4.504 6.563 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.869 3.806 5.205 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.707 5.000 6.477 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.448 1.415 6.022 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.325 0.113 8.254 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.072 4.963 8.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.335 0.580 10.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.565 4.459 11.186 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.191 2.297 12.180 1.00 0.00 H new ATOM 536 N LEU A 33 2.738 6.724 5.382 1.00 0.00 N ATOM 537 CA LEU A 33 2.661 7.973 4.634 1.00 0.00 C ATOM 538 C LEU A 33 3.922 8.188 3.802 1.00 0.00 C ATOM 539 O LEU A 33 3.918 8.954 2.838 1.00 0.00 O ATOM 540 CB LEU A 33 2.460 9.151 5.589 1.00 0.00 C ATOM 541 CG LEU A 33 1.190 9.116 6.440 1.00 0.00 C ATOM 542 CD1 LEU A 33 0.681 10.525 6.698 1.00 0.00 C ATOM 543 CD2 LEU A 33 0.118 8.275 5.763 1.00 0.00 C ATOM 0 H LEU A 33 2.779 6.841 6.394 1.00 0.00 H new ATOM 0 HA LEU A 33 1.808 7.911 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.320 9.202 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.456 10.071 5.004 1.00 0.00 H new ATOM 0 HG LEU A 33 1.431 8.658 7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.223 10.480 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.444 11.097 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.456 11.010 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.779 8.261 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.120 8.704 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.484 7.257 5.631 1.00 0.00 H new ATOM 555 N ASP A 34 4.997 7.506 4.180 1.00 0.00 N ATOM 556 CA ASP A 34 6.264 7.620 3.467 1.00 0.00 C ATOM 557 C ASP A 34 6.292 6.690 2.257 1.00 0.00 C ATOM 558 O ASP A 34 7.359 6.354 1.745 1.00 0.00 O ATOM 559 CB ASP A 34 7.431 7.296 4.402 1.00 0.00 C ATOM 560 CG ASP A 34 8.762 7.771 3.853 1.00 0.00 C ATOM 561 OD1 ASP A 34 8.771 8.767 3.100 1.00 0.00 O ATOM 562 OD2 ASP A 34 9.794 7.147 4.175 1.00 0.00 O ATOM 0 H ASP A 34 5.017 6.868 4.976 1.00 0.00 H new ATOM 0 HA ASP A 34 6.364 8.647 3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.255 7.760 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.473 6.219 4.567 1.00 0.00 H new ATOM 567 N GLY A 35 5.111 6.278 1.807 1.00 0.00 N ATOM 568 CA GLY A 35 5.023 5.390 0.662 1.00 0.00 C ATOM 569 C GLY A 35 5.794 4.101 0.867 1.00 0.00 C ATOM 570 O GLY A 35 6.697 3.778 0.094 1.00 0.00 O ATOM 0 H GLY A 35 4.214 6.543 2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.976 5.157 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.405 5.902 -0.221 1.00 0.00 H new ATOM 574 N THR A 36 5.440 3.362 1.914 1.00 0.00 N ATOM 575 CA THR A 36 6.107 2.103 2.220 1.00 0.00 C ATOM 576 C THR A 36 5.127 1.089 2.800 1.00 0.00 C ATOM 577 O THR A 36 4.116 1.459 3.398 1.00 0.00 O ATOM 578 CB THR A 36 7.264 2.308 3.216 1.00 0.00 C ATOM 579 OG1 THR A 36 6.826 3.109 4.319 1.00 0.00 O ATOM 580 CG2 THR A 36 8.450 2.976 2.537 1.00 0.00 C ATOM 0 H THR A 36 4.695 3.614 2.564 1.00 0.00 H new ATOM 0 HA THR A 36 6.508 1.721 1.281 1.00 0.00 H new ATOM 0 HB THR A 36 7.577 1.330 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.567 3.233 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.255 3.111 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.800 2.349 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.146 3.948 2.147 1.00 0.00 H new ATOM 588 N LEU A 37 5.432 -0.192 2.620 1.00 0.00 N ATOM 589 CA LEU A 37 4.578 -1.260 3.126 1.00 0.00 C ATOM 590 C LEU A 37 5.355 -2.182 4.060 1.00 0.00 C ATOM 591 O LEU A 37 6.187 -2.973 3.617 1.00 0.00 O ATOM 592 CB LEU A 37 3.995 -2.067 1.964 1.00 0.00 C ATOM 593 CG LEU A 37 2.686 -2.804 2.250 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.548 -1.815 2.446 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.363 -3.774 1.123 1.00 0.00 C ATOM 0 H LEU A 37 6.264 -0.516 2.127 1.00 0.00 H new ATOM 0 HA LEU A 37 3.764 -0.804 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.833 -1.392 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.738 -2.798 1.646 1.00 0.00 H new ATOM 0 HG LEU A 37 2.807 -3.375 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.625 -2.358 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.776 -1.160 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.426 -1.217 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.428 -4.290 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.262 -3.224 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.167 -4.504 1.030 1.00 0.00 H new ATOM 607 N GLY A 38 5.076 -2.076 5.356 1.00 0.00 N ATOM 608 CA GLY A 38 5.756 -2.907 6.332 1.00 0.00 C ATOM 609 C GLY A 38 4.808 -3.838 7.061 1.00 0.00 C ATOM 610 O GLY A 38 3.776 -3.405 7.576 1.00 0.00 O ATOM 0 H GLY A 38 4.391 -1.429 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.525 -3.495 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.264 -2.270 7.056 1.00 0.00 H new ATOM 614 N TYR A 39 5.156 -5.119 7.106 1.00 0.00 N ATOM 615 CA TYR A 39 4.326 -6.114 7.775 1.00 0.00 C ATOM 616 C TYR A 39 5.055 -6.715 8.972 1.00 0.00 C ATOM 617 O TYR A 39 6.274 -6.888 8.949 1.00 0.00 O ATOM 618 CB TYR A 39 3.931 -7.220 6.795 1.00 0.00 C ATOM 619 CG TYR A 39 5.104 -7.815 6.049 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.599 -7.213 4.899 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.717 -8.981 6.494 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.670 -7.753 4.214 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.789 -9.527 5.815 1.00 0.00 C ATOM 624 CZ TYR A 39 7.262 -8.910 4.676 1.00 0.00 C ATOM 625 OH TYR A 39 8.329 -9.452 3.997 1.00 0.00 O ATOM 0 H TYR A 39 6.007 -5.493 6.687 1.00 0.00 H new ATOM 0 HA TYR A 39 3.425 -5.617 8.134 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.419 -8.012 7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.219 -6.818 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.138 -6.307 4.534 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.349 -9.468 7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.042 -7.272 3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.254 -10.433 6.174 1.00 0.00 H new ATOM 0 HH TYR A 39 8.629 -10.265 4.455 1.00 0.00 H new ATOM 635 N TYR A 40 4.300 -7.033 10.018 1.00 0.00 N ATOM 636 CA TYR A 40 4.872 -7.613 11.226 1.00 0.00 C ATOM 637 C TYR A 40 4.178 -8.924 11.583 1.00 0.00 C ATOM 638 O TYR A 40 3.181 -9.300 10.965 1.00 0.00 O ATOM 639 CB TYR A 40 4.760 -6.630 12.393 1.00 0.00 C ATOM 640 CG TYR A 40 5.221 -5.231 12.052 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.559 -4.474 11.093 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.320 -4.667 12.688 1.00 0.00 C ATOM 643 CE1 TYR A 40 4.978 -3.196 10.778 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.745 -3.389 12.381 1.00 0.00 C ATOM 645 CZ TYR A 40 6.071 -2.658 11.425 1.00 0.00 C ATOM 646 OH TYR A 40 6.492 -1.385 11.114 1.00 0.00 O ATOM 0 H TYR A 40 3.290 -6.898 10.053 1.00 0.00 H new ATOM 0 HA TYR A 40 5.925 -7.820 11.034 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.723 -6.591 12.726 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.350 -7.004 13.230 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.702 -4.892 10.585 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.851 -5.238 13.435 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.453 -2.621 10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.600 -2.965 12.886 1.00 0.00 H new ATOM 0 HH TYR A 40 7.273 -1.156 11.660 1.00 0.00 H new ATOM 656 N HIS A 41 4.711 -9.616 12.585 1.00 0.00 N ATOM 657 CA HIS A 41 4.143 -10.885 13.026 1.00 0.00 C ATOM 658 C HIS A 41 2.730 -10.689 13.566 1.00 0.00 C ATOM 659 O HIS A 41 1.818 -11.446 13.235 1.00 0.00 O ATOM 660 CB HIS A 41 5.029 -11.519 14.099 1.00 0.00 C ATOM 661 CG HIS A 41 6.199 -12.269 13.543 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.068 -13.408 12.776 1.00 0.00 N ATOM 663 CD2 HIS A 41 7.529 -12.038 13.644 1.00 0.00 C ATOM 664 CE1 HIS A 41 7.266 -13.845 12.431 1.00 0.00 C ATOM 665 NE2 HIS A 41 8.170 -13.031 12.946 1.00 0.00 N ATOM 0 H HIS A 41 5.536 -9.319 13.107 1.00 0.00 H new ATOM 0 HA HIS A 41 4.094 -11.552 12.165 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.393 -10.738 14.766 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.426 -12.198 14.702 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.999 -11.223 14.175 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.471 -14.719 11.830 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.180 -13.125 12.842 1.00 0.00 H new ATOM 674 N ASP A 42 2.557 -9.669 14.400 1.00 0.00 N ATOM 675 CA ASP A 42 1.255 -9.373 14.986 1.00 0.00 C ATOM 676 C ASP A 42 0.951 -7.880 14.909 1.00 0.00 C ATOM 677 O ASP A 42 1.827 -7.074 14.594 1.00 0.00 O ATOM 678 CB ASP A 42 1.209 -9.841 16.441 1.00 0.00 C ATOM 679 CG ASP A 42 1.026 -11.341 16.561 1.00 0.00 C ATOM 680 OD1 ASP A 42 1.949 -12.084 16.169 1.00 0.00 O ATOM 681 OD2 ASP A 42 -0.041 -11.772 17.048 1.00 0.00 O ATOM 0 H ASP A 42 3.302 -9.034 14.685 1.00 0.00 H new ATOM 0 HA ASP A 42 0.497 -9.910 14.416 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.132 -9.549 16.943 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.392 -9.336 16.956 1.00 0.00 H new ATOM 686 N GLU A 43 -0.296 -7.519 15.197 1.00 0.00 N ATOM 687 CA GLU A 43 -0.714 -6.123 15.159 1.00 0.00 C ATOM 688 C GLU A 43 0.320 -5.226 15.833 1.00 0.00 C ATOM 689 O GLU A 43 0.602 -4.122 15.364 1.00 0.00 O ATOM 690 CB GLU A 43 -2.074 -5.956 15.841 1.00 0.00 C ATOM 691 CG GLU A 43 -2.103 -6.468 17.272 1.00 0.00 C ATOM 692 CD GLU A 43 -3.438 -6.228 17.950 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.372 -7.025 17.721 1.00 0.00 O ATOM 694 OE2 GLU A 43 -3.548 -5.243 18.710 1.00 0.00 O ATOM 0 H GLU A 43 -1.033 -8.174 15.459 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.801 -5.825 14.114 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.347 -4.901 15.836 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.830 -6.484 15.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.884 -7.536 17.276 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.315 -5.979 17.845 1.00 0.00 H new ATOM 701 N THR A 44 0.882 -5.707 16.937 1.00 0.00 N ATOM 702 CA THR A 44 1.882 -4.949 17.678 1.00 0.00 C ATOM 703 C THR A 44 3.150 -4.759 16.853 1.00 0.00 C ATOM 704 O THR A 44 4.074 -5.569 16.921 1.00 0.00 O ATOM 705 CB THR A 44 2.246 -5.644 19.004 1.00 0.00 C ATOM 706 OG1 THR A 44 2.744 -6.962 18.745 1.00 0.00 O ATOM 707 CG2 THR A 44 1.036 -5.725 19.922 1.00 0.00 C ATOM 0 H THR A 44 0.661 -6.619 17.338 1.00 0.00 H new ATOM 0 HA THR A 44 1.443 -3.975 17.895 1.00 0.00 H new ATOM 0 HB THR A 44 3.018 -5.055 19.498 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.412 -6.925 18.029 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.317 -6.219 20.852 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.677 -4.719 20.140 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.246 -6.294 19.433 1.00 0.00 H new ATOM 715 N ALA A 45 3.187 -3.683 16.073 1.00 0.00 N ATOM 716 CA ALA A 45 4.343 -3.386 15.237 1.00 0.00 C ATOM 717 C ALA A 45 5.612 -3.272 16.074 1.00 0.00 C ATOM 718 O ALA A 45 6.033 -2.172 16.432 1.00 0.00 O ATOM 719 CB ALA A 45 4.110 -2.104 14.451 1.00 0.00 C ATOM 0 H ALA A 45 2.430 -3.003 16.003 1.00 0.00 H new ATOM 0 HA ALA A 45 4.475 -4.211 14.536 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.981 -1.894 13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.232 -2.221 13.816 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.949 -1.277 15.143 1.00 0.00 H new ATOM 725 N GLN A 46 6.216 -4.415 16.384 1.00 0.00 N ATOM 726 CA GLN A 46 7.437 -4.441 17.181 1.00 0.00 C ATOM 727 C GLN A 46 8.553 -5.173 16.443 1.00 0.00 C ATOM 728 O GLN A 46 9.681 -4.687 16.365 1.00 0.00 O ATOM 729 CB GLN A 46 7.175 -5.113 18.530 1.00 0.00 C ATOM 730 CG GLN A 46 6.103 -4.422 19.357 1.00 0.00 C ATOM 731 CD GLN A 46 6.253 -4.681 20.843 1.00 0.00 C ATOM 732 OE1 GLN A 46 7.367 -4.741 21.364 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.130 -4.837 21.533 1.00 0.00 N ATOM 0 H GLN A 46 5.880 -5.334 16.096 1.00 0.00 H new ATOM 0 HA GLN A 46 7.753 -3.412 17.351 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.879 -6.148 18.359 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.103 -5.137 19.101 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.144 -3.348 19.174 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.121 -4.764 19.030 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.228 -4.779 21.060 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.169 -5.015 22.537 1.00 0.00 H new ATOM 742 N ASP A 47 8.231 -6.344 15.904 1.00 0.00 N ATOM 743 CA ASP A 47 9.206 -7.143 15.172 1.00 0.00 C ATOM 744 C ASP A 47 8.992 -7.015 13.666 1.00 0.00 C ATOM 745 O ASP A 47 8.511 -7.944 13.018 1.00 0.00 O ATOM 746 CB ASP A 47 9.112 -8.611 15.590 1.00 0.00 C ATOM 747 CG ASP A 47 10.020 -8.939 16.759 1.00 0.00 C ATOM 748 OD1 ASP A 47 9.730 -8.478 17.884 1.00 0.00 O ATOM 749 OD2 ASP A 47 11.021 -9.656 16.550 1.00 0.00 O ATOM 0 H ASP A 47 7.302 -6.761 15.961 1.00 0.00 H new ATOM 0 HA ASP A 47 10.201 -6.768 15.413 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.081 -8.844 15.857 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.373 -9.245 14.742 1.00 0.00 H new ATOM 754 N GLU A 48 9.353 -5.859 13.118 1.00 0.00 N ATOM 755 CA GLU A 48 9.199 -5.611 11.690 1.00 0.00 C ATOM 756 C GLU A 48 9.899 -6.691 10.871 1.00 0.00 C ATOM 757 O GLU A 48 11.123 -6.817 10.908 1.00 0.00 O ATOM 758 CB GLU A 48 9.759 -4.235 11.325 1.00 0.00 C ATOM 759 CG GLU A 48 11.277 -4.172 11.345 1.00 0.00 C ATOM 760 CD GLU A 48 11.801 -2.757 11.505 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.749 -2.232 12.637 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.261 -2.177 10.500 1.00 0.00 O ATOM 0 H GLU A 48 9.754 -5.080 13.641 1.00 0.00 H new ATOM 0 HA GLU A 48 8.135 -5.635 11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.405 -3.960 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.364 -3.495 12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.652 -4.789 12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.667 -4.597 10.420 1.00 0.00 H new ATOM 769 N GLU A 49 9.113 -7.469 10.132 1.00 0.00 N ATOM 770 CA GLU A 49 9.658 -8.539 9.305 1.00 0.00 C ATOM 771 C GLU A 49 10.456 -7.970 8.135 1.00 0.00 C ATOM 772 O GLU A 49 11.579 -8.398 7.869 1.00 0.00 O ATOM 773 CB GLU A 49 8.532 -9.433 8.783 1.00 0.00 C ATOM 774 CG GLU A 49 8.136 -10.538 9.747 1.00 0.00 C ATOM 775 CD GLU A 49 9.202 -11.608 9.879 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.237 -12.519 9.025 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.001 -11.536 10.836 1.00 0.00 O ATOM 0 H GLU A 49 8.098 -7.378 10.090 1.00 0.00 H new ATOM 0 HA GLU A 49 10.329 -9.136 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.658 -8.816 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.843 -9.880 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.938 -10.105 10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.207 -10.996 9.407 1.00 0.00 H new ATOM 784 N ASP A 50 9.867 -7.004 7.440 1.00 0.00 N ATOM 785 CA ASP A 50 10.521 -6.375 6.298 1.00 0.00 C ATOM 786 C ASP A 50 9.797 -5.095 5.894 1.00 0.00 C ATOM 787 O ASP A 50 8.758 -4.753 6.459 1.00 0.00 O ATOM 788 CB ASP A 50 10.570 -7.343 5.115 1.00 0.00 C ATOM 789 CG ASP A 50 11.814 -8.209 5.126 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.872 -7.724 5.580 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.730 -9.373 4.683 1.00 0.00 O ATOM 0 H ASP A 50 8.937 -6.639 7.647 1.00 0.00 H new ATOM 0 HA ASP A 50 11.539 -6.118 6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.687 -7.981 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.533 -6.777 4.184 1.00 0.00 H new ATOM 796 N ARG A 51 10.354 -4.390 4.914 1.00 0.00 N ATOM 797 CA ARG A 51 9.763 -3.146 4.437 1.00 0.00 C ATOM 798 C ARG A 51 9.967 -2.989 2.933 1.00 0.00 C ATOM 799 O ARG A 51 11.097 -3.005 2.444 1.00 0.00 O ATOM 800 CB ARG A 51 10.373 -1.951 5.172 1.00 0.00 C ATOM 801 CG ARG A 51 9.596 -0.659 4.985 1.00 0.00 C ATOM 802 CD ARG A 51 10.310 0.519 5.628 1.00 0.00 C ATOM 803 NE ARG A 51 11.466 0.952 4.847 1.00 0.00 N ATOM 804 CZ ARG A 51 12.089 2.109 5.036 1.00 0.00 C ATOM 805 NH1 ARG A 51 11.670 2.946 5.976 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.134 2.432 4.285 1.00 0.00 N ATOM 0 H ARG A 51 11.213 -4.660 4.435 1.00 0.00 H new ATOM 0 HA ARG A 51 8.693 -3.181 4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.429 -2.180 6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.395 -1.804 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.459 -0.466 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.602 -0.765 5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.613 1.350 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.634 0.243 6.632 1.00 0.00 H new ATOM 0 HE ARG A 51 11.814 0.331 4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.867 2.701 6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.151 3.834 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.460 1.791 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.612 3.321 4.431 1.00 0.00 H new ATOM 820 N VAL A 52 8.866 -2.839 2.204 1.00 0.00 N ATOM 821 CA VAL A 52 8.923 -2.679 0.756 1.00 0.00 C ATOM 822 C VAL A 52 8.316 -1.348 0.325 1.00 0.00 C ATOM 823 O VAL A 52 7.177 -1.033 0.670 1.00 0.00 O ATOM 824 CB VAL A 52 8.187 -3.824 0.035 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.921 -5.141 0.236 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.750 -3.925 0.525 1.00 0.00 C ATOM 0 H VAL A 52 7.923 -2.825 2.593 1.00 0.00 H new ATOM 0 HA VAL A 52 9.976 -2.702 0.477 1.00 0.00 H new ATOM 0 HB VAL A 52 8.168 -3.605 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.386 -5.938 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.930 -5.060 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.973 -5.370 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.245 -4.739 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.744 -4.120 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.230 -2.988 0.324 1.00 0.00 H new ATOM 836 N VAL A 53 9.084 -0.571 -0.431 1.00 0.00 N ATOM 837 CA VAL A 53 8.622 0.726 -0.911 1.00 0.00 C ATOM 838 C VAL A 53 7.337 0.587 -1.719 1.00 0.00 C ATOM 839 O VAL A 53 7.174 -0.361 -2.487 1.00 0.00 O ATOM 840 CB VAL A 53 9.690 1.416 -1.781 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.239 2.816 -2.170 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.024 1.461 -1.051 1.00 0.00 C ATOM 0 H VAL A 53 10.029 -0.817 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 53 8.430 1.339 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 53 9.821 0.835 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.006 3.288 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.309 2.755 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.079 3.410 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.767 1.952 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.911 2.018 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.351 0.445 -0.828 1.00 0.00 H new ATOM 852 N ILE A 54 6.426 1.538 -1.540 1.00 0.00 N ATOM 853 CA ILE A 54 5.155 1.522 -2.254 1.00 0.00 C ATOM 854 C ILE A 54 5.095 2.636 -3.294 1.00 0.00 C ATOM 855 O ILE A 54 4.588 2.441 -4.399 1.00 0.00 O ATOM 856 CB ILE A 54 3.965 1.672 -1.288 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.739 0.370 -0.516 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.710 2.066 -2.051 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.343 -0.793 -1.397 1.00 0.00 C ATOM 0 H ILE A 54 6.544 2.329 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 54 5.086 0.556 -2.755 1.00 0.00 H new ATOM 0 HB ILE A 54 4.194 2.461 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.651 0.113 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.962 0.530 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.878 2.168 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.876 3.016 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.475 1.297 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.199 -1.682 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.414 -0.557 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.130 -0.980 -2.128 1.00 0.00 H new ATOM 871 N HIS A 55 5.618 3.804 -2.933 1.00 0.00 N ATOM 872 CA HIS A 55 5.626 4.949 -3.836 1.00 0.00 C ATOM 873 C HIS A 55 6.360 4.615 -5.131 1.00 0.00 C ATOM 874 O HIS A 55 7.530 4.231 -5.112 1.00 0.00 O ATOM 875 CB HIS A 55 6.282 6.153 -3.161 1.00 0.00 C ATOM 876 CG HIS A 55 6.242 7.401 -3.989 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.376 8.043 -4.438 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.195 8.123 -4.451 1.00 0.00 C ATOM 879 CE1 HIS A 55 7.029 9.107 -5.139 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.710 9.178 -5.163 1.00 0.00 N ATOM 0 H HIS A 55 6.041 3.982 -2.022 1.00 0.00 H new ATOM 0 HA HIS A 55 4.592 5.196 -4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.784 6.342 -2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.320 5.911 -2.934 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.149 7.909 -4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.708 9.801 -5.612 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.163 9.899 -5.634 1.00 0.00 H new ATOM 889 N PHE A 56 5.665 4.762 -6.255 1.00 0.00 N ATOM 890 CA PHE A 56 6.251 4.474 -7.559 1.00 0.00 C ATOM 891 C PHE A 56 7.172 3.260 -7.485 1.00 0.00 C ATOM 892 O PHE A 56 8.247 3.246 -8.083 1.00 0.00 O ATOM 893 CB PHE A 56 7.029 5.688 -8.072 1.00 0.00 C ATOM 894 CG PHE A 56 6.183 6.659 -8.844 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.679 6.322 -10.090 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.891 7.910 -8.324 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.901 7.214 -10.803 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.113 8.807 -9.032 1.00 0.00 C ATOM 899 CZ PHE A 56 4.617 8.458 -10.273 1.00 0.00 C ATOM 0 H PHE A 56 4.696 5.079 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 56 5.440 4.251 -8.253 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.480 6.205 -7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.845 5.344 -8.707 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.897 5.351 -10.509 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.276 8.188 -7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.515 6.939 -11.774 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.893 9.779 -8.615 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.008 9.156 -10.828 1.00 0.00 H new ATOM 909 N ASN A 57 6.741 2.242 -6.747 1.00 0.00 N ATOM 910 CA ASN A 57 7.527 1.023 -6.594 1.00 0.00 C ATOM 911 C ASN A 57 6.781 -0.180 -7.163 1.00 0.00 C ATOM 912 O ASN A 57 7.384 -1.072 -7.760 1.00 0.00 O ATOM 913 CB ASN A 57 7.852 0.783 -5.118 1.00 0.00 C ATOM 914 CG ASN A 57 9.169 0.056 -4.927 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.237 0.600 -5.207 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.098 -1.180 -4.448 1.00 0.00 N ATOM 0 H ASN A 57 5.853 2.237 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 57 8.457 1.148 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.889 1.740 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.050 0.202 -4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.951 -1.719 -4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.190 -1.591 -4.230 1.00 0.00 H new ATOM 923 N VAL A 58 5.465 -0.197 -6.975 1.00 0.00 N ATOM 924 CA VAL A 58 4.636 -1.289 -7.472 1.00 0.00 C ATOM 925 C VAL A 58 4.602 -1.304 -8.996 1.00 0.00 C ATOM 926 O VAL A 58 4.218 -0.320 -9.628 1.00 0.00 O ATOM 927 CB VAL A 58 3.195 -1.187 -6.938 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.316 -2.258 -7.565 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.180 -1.295 -5.421 1.00 0.00 C ATOM 0 H VAL A 58 4.950 0.533 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 58 5.084 -2.215 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 58 2.792 -0.212 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.302 -2.170 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.302 -2.129 -8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.714 -3.243 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.154 -1.221 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.602 -2.254 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.774 -0.487 -4.993 1.00 0.00 H new ATOM 939 N ARG A 59 5.006 -2.428 -9.580 1.00 0.00 N ATOM 940 CA ARG A 59 5.023 -2.571 -11.031 1.00 0.00 C ATOM 941 C ARG A 59 3.657 -3.014 -11.549 1.00 0.00 C ATOM 942 O ARG A 59 3.228 -2.603 -12.627 1.00 0.00 O ATOM 943 CB ARG A 59 6.092 -3.580 -11.453 1.00 0.00 C ATOM 944 CG ARG A 59 6.282 -3.672 -12.958 1.00 0.00 C ATOM 945 CD ARG A 59 7.678 -4.160 -13.314 1.00 0.00 C ATOM 946 NE ARG A 59 7.836 -4.366 -14.751 1.00 0.00 N ATOM 947 CZ ARG A 59 7.936 -3.375 -15.630 1.00 0.00 C ATOM 948 NH1 ARG A 59 7.896 -2.115 -15.219 1.00 0.00 N ATOM 949 NH2 ARG A 59 8.077 -3.643 -16.922 1.00 0.00 N ATOM 0 H ARG A 59 5.326 -3.252 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 59 5.260 -1.599 -11.464 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.041 -3.306 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.823 -4.564 -11.068 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.540 -4.350 -13.379 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.111 -2.694 -13.408 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.415 -3.435 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.880 -5.094 -12.790 1.00 0.00 H new ATOM 0 HE ARG A 59 7.872 -5.324 -15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.788 -1.905 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.973 -1.355 -15.895 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.109 -4.611 -17.242 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.154 -2.881 -17.596 1.00 0.00 H new ATOM 963 N ASP A 60 2.981 -3.854 -10.774 1.00 0.00 N ATOM 964 CA ASP A 60 1.664 -4.353 -11.154 1.00 0.00 C ATOM 965 C ASP A 60 1.024 -5.126 -10.005 1.00 0.00 C ATOM 966 O ASP A 60 1.709 -5.566 -9.082 1.00 0.00 O ATOM 967 CB ASP A 60 1.771 -5.247 -12.390 1.00 0.00 C ATOM 968 CG ASP A 60 2.874 -6.279 -12.265 1.00 0.00 C ATOM 969 OD1 ASP A 60 4.043 -5.933 -12.533 1.00 0.00 O ATOM 970 OD2 ASP A 60 2.568 -7.434 -11.899 1.00 0.00 O ATOM 0 H ASP A 60 3.323 -4.204 -9.879 1.00 0.00 H new ATOM 0 HA ASP A 60 1.032 -3.497 -11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.820 -5.754 -12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.955 -4.628 -13.268 1.00 0.00 H new ATOM 975 N ILE A 61 -0.294 -5.288 -10.069 1.00 0.00 N ATOM 976 CA ILE A 61 -1.026 -6.008 -9.035 1.00 0.00 C ATOM 977 C ILE A 61 -2.137 -6.859 -9.640 1.00 0.00 C ATOM 978 O ILE A 61 -2.968 -6.365 -10.401 1.00 0.00 O ATOM 979 CB ILE A 61 -1.638 -5.042 -8.003 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.542 -4.450 -7.114 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.681 -5.760 -7.160 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.073 -3.547 -6.022 1.00 0.00 C ATOM 0 H ILE A 61 -0.876 -4.930 -10.826 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.308 -6.656 -8.533 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.128 -4.227 -8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.024 -5.263 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.153 -3.886 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.105 -5.065 -6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.473 -6.138 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.213 -6.592 -6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.242 -3.163 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.615 -2.714 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.746 -4.113 -5.377 1.00 0.00 H new ATOM 994 N LYS A 62 -2.146 -8.142 -9.294 1.00 0.00 N ATOM 995 CA LYS A 62 -3.157 -9.064 -9.799 1.00 0.00 C ATOM 996 C LYS A 62 -4.109 -9.491 -8.686 1.00 0.00 C ATOM 997 O LYS A 62 -3.805 -9.338 -7.503 1.00 0.00 O ATOM 998 CB LYS A 62 -2.491 -10.296 -10.415 1.00 0.00 C ATOM 999 CG LYS A 62 -1.400 -9.960 -11.417 1.00 0.00 C ATOM 1000 CD LYS A 62 -1.972 -9.719 -12.804 1.00 0.00 C ATOM 1001 CE LYS A 62 -2.022 -11.003 -13.618 1.00 0.00 C ATOM 1002 NZ LYS A 62 -0.711 -11.306 -14.257 1.00 0.00 N ATOM 0 H LYS A 62 -1.464 -8.567 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.733 -8.547 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.065 -10.905 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.252 -10.902 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.861 -9.073 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.678 -10.775 -11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.976 -9.303 -12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.364 -8.980 -13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.311 -11.832 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.789 -10.916 -14.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.786 -12.188 -14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.447 -10.527 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.017 -11.415 -13.522 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.261 -10.029 -9.073 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.256 -10.481 -8.107 1.00 0.00 C ATOM 1018 C VAL A 63 -7.055 -11.659 -8.653 1.00 0.00 C ATOM 1019 O VAL A 63 -7.262 -11.777 -9.859 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.228 -9.346 -7.730 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.411 -9.895 -6.948 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.505 -8.270 -6.934 1.00 0.00 C ATOM 0 H VAL A 63 -5.529 -10.163 -10.048 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.713 -10.795 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.607 -8.895 -8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.087 -9.080 -6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.941 -10.627 -7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.054 -10.372 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.206 -7.476 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.097 -8.705 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.694 -7.857 -7.534 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.503 -12.530 -7.753 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.275 -13.689 -8.163 1.00 0.00 C ATOM 1034 C GLY A 64 -7.528 -14.564 -9.150 1.00 0.00 C ATOM 1035 O GLY A 64 -6.352 -14.868 -8.952 1.00 0.00 O ATOM 0 H GLY A 64 -7.345 -12.454 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.534 -14.278 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.211 -13.358 -8.612 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.212 -14.971 -10.214 1.00 0.00 N ATOM 1040 CA GLN A 65 -7.605 -15.818 -11.234 1.00 0.00 C ATOM 1041 C GLN A 65 -6.247 -15.271 -11.659 1.00 0.00 C ATOM 1042 O GLN A 65 -5.257 -16.000 -11.693 1.00 0.00 O ATOM 1043 CB GLN A 65 -8.527 -15.930 -12.449 1.00 0.00 C ATOM 1044 CG GLN A 65 -7.966 -16.802 -13.561 1.00 0.00 C ATOM 1045 CD GLN A 65 -9.033 -17.271 -14.530 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -10.010 -16.566 -14.785 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -8.852 -18.468 -15.076 1.00 0.00 N ATOM 0 H GLN A 65 -9.186 -14.728 -10.392 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.458 -16.810 -10.806 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.487 -16.336 -12.130 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.718 -14.932 -12.843 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.205 -16.244 -14.107 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.472 -17.669 -13.123 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.028 -19.019 -14.836 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.537 -18.837 -15.735 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.209 -13.982 -11.984 1.00 0.00 N ATOM 1057 CA GLU A 66 -4.972 -13.338 -12.409 1.00 0.00 C ATOM 1058 C GLU A 66 -3.789 -13.834 -11.583 1.00 0.00 C ATOM 1059 O GLU A 66 -2.644 -13.804 -12.037 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.093 -11.818 -12.284 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.328 -11.249 -12.962 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.205 -9.765 -13.248 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -6.521 -8.958 -12.349 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -5.792 -9.411 -14.372 1.00 0.00 O ATOM 0 H GLU A 66 -7.020 -13.364 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.798 -13.597 -13.453 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.112 -11.549 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.206 -11.354 -12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.503 -11.782 -13.897 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.198 -11.422 -12.329 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.073 -14.290 -10.368 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.033 -14.792 -9.476 1.00 0.00 C ATOM 1073 C CYS A 67 -2.057 -15.688 -10.231 1.00 0.00 C ATOM 1074 O CYS A 67 -2.321 -16.096 -11.361 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.658 -15.563 -8.313 1.00 0.00 C ATOM 1076 SG CYS A 67 -4.522 -17.072 -8.807 1.00 0.00 S ATOM 0 H CYS A 67 -5.015 -14.323 -9.978 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.483 -13.938 -9.081 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.875 -15.822 -7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.359 -14.910 -7.793 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.755 -16.788 -9.104 1.00 0.00 H new ATOM 1082 N GLN A 68 -0.928 -15.990 -9.597 1.00 0.00 N ATOM 1083 CA GLN A 68 0.089 -16.837 -10.210 1.00 0.00 C ATOM 1084 C GLN A 68 -0.212 -18.312 -9.966 1.00 0.00 C ATOM 1085 O GLN A 68 0.478 -18.977 -9.194 1.00 0.00 O ATOM 1086 CB GLN A 68 1.472 -16.488 -9.658 1.00 0.00 C ATOM 1087 CG GLN A 68 1.939 -15.089 -10.026 1.00 0.00 C ATOM 1088 CD GLN A 68 1.157 -14.006 -9.310 1.00 0.00 C ATOM 1089 OE1 GLN A 68 1.003 -14.039 -8.088 1.00 0.00 O ATOM 1090 NE2 GLN A 68 0.657 -13.037 -10.068 1.00 0.00 N ATOM 0 H GLN A 68 -0.695 -15.661 -8.660 1.00 0.00 H new ATOM 0 HA GLN A 68 0.078 -16.656 -11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.455 -16.582 -8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.196 -17.213 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.997 -14.988 -9.784 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.843 -14.950 -11.103 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.809 -13.049 -11.077 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.121 -12.281 -9.642 1.00 0.00 H new ATOM 1099 N ASP A 69 -1.246 -18.817 -10.630 1.00 0.00 N ATOM 1100 CA ASP A 69 -1.639 -20.214 -10.486 1.00 0.00 C ATOM 1101 C ASP A 69 -1.487 -20.675 -9.040 1.00 0.00 C ATOM 1102 O ASP A 69 -1.097 -21.813 -8.778 1.00 0.00 O ATOM 1103 CB ASP A 69 -0.798 -21.099 -11.408 1.00 0.00 C ATOM 1104 CG ASP A 69 -1.551 -22.330 -11.873 1.00 0.00 C ATOM 1105 OD1 ASP A 69 -2.020 -23.100 -11.009 1.00 0.00 O ATOM 1106 OD2 ASP A 69 -1.671 -22.524 -13.101 1.00 0.00 O ATOM 0 H ASP A 69 -1.827 -18.280 -11.273 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.688 -20.302 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.484 -20.519 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.108 -21.406 -10.885 1.00 0.00 H new ATOM 1111 N VAL A 70 -1.796 -19.783 -8.104 1.00 0.00 N ATOM 1112 CA VAL A 70 -1.694 -20.098 -6.684 1.00 0.00 C ATOM 1113 C VAL A 70 -3.067 -20.370 -6.082 1.00 0.00 C ATOM 1114 O VAL A 70 -4.023 -19.638 -6.335 1.00 0.00 O ATOM 1115 CB VAL A 70 -1.020 -18.955 -5.903 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -1.859 -17.689 -5.978 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -0.786 -19.364 -4.456 1.00 0.00 C ATOM 0 H VAL A 70 -2.119 -18.836 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.080 -20.995 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.052 -18.748 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.366 -16.893 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.970 -17.387 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.843 -17.878 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.309 -18.544 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.741 -19.599 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.141 -20.242 -4.426 1.00 0.00 H new ATOM 1127 N GLN A 71 -3.157 -21.428 -5.282 1.00 0.00 N ATOM 1128 CA GLN A 71 -4.415 -21.797 -4.643 1.00 0.00 C ATOM 1129 C GLN A 71 -4.562 -21.106 -3.292 1.00 0.00 C ATOM 1130 O GLN A 71 -3.607 -20.978 -2.526 1.00 0.00 O ATOM 1131 CB GLN A 71 -4.495 -23.315 -4.465 1.00 0.00 C ATOM 1132 CG GLN A 71 -3.381 -23.886 -3.603 1.00 0.00 C ATOM 1133 CD GLN A 71 -3.095 -25.343 -3.908 1.00 0.00 C ATOM 1134 OE1 GLN A 71 -2.755 -25.697 -5.037 1.00 0.00 O ATOM 1135 NE2 GLN A 71 -3.232 -26.197 -2.901 1.00 0.00 N ATOM 0 H GLN A 71 -2.375 -22.044 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.231 -21.471 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.456 -23.570 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.464 -23.790 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.473 -23.302 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.652 -23.785 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.516 -25.860 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.053 -27.191 -3.047 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.787 -20.650 -2.990 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.088 -19.964 -1.730 1.00 0.00 C ATOM 1146 C PRO A 72 -6.037 -20.905 -0.532 1.00 0.00 C ATOM 1147 O PRO A 72 -6.181 -22.121 -0.660 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.512 -19.443 -1.941 1.00 0.00 C ATOM 1149 CG PRO A 72 -8.104 -20.360 -2.955 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.972 -20.768 -3.856 1.00 0.00 C ATOM 0 HA PRO A 72 -5.362 -19.182 -1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.081 -19.460 -1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.508 -18.412 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.556 -21.230 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.892 -19.861 -3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.100 -21.785 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.899 -20.118 -4.728 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.828 -20.332 0.663 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.755 -21.103 1.908 1.00 0.00 C ATOM 1160 C PRO A 73 -7.106 -21.682 2.312 1.00 0.00 C ATOM 1161 O PRO A 73 -8.149 -21.073 2.072 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.286 -20.070 2.937 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.730 -18.759 2.387 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.648 -18.889 0.891 1.00 0.00 C ATOM 0 HA PRO A 73 -5.094 -21.965 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.727 -20.258 3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.204 -20.100 3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.747 -18.527 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.093 -17.950 2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.422 -18.304 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.689 -18.539 0.509 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.080 -22.860 2.927 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.305 -23.520 3.364 1.00 0.00 C ATOM 1174 C GLU A 74 -9.283 -22.512 3.961 1.00 0.00 C ATOM 1175 O GLU A 74 -8.931 -21.742 4.853 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.986 -24.608 4.392 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.213 -25.354 4.890 1.00 0.00 C ATOM 1178 CD GLU A 74 -10.080 -24.508 5.802 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -9.601 -24.126 6.890 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -11.238 -24.228 5.427 1.00 0.00 O ATOM 0 H GLU A 74 -6.225 -23.377 3.134 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.771 -23.979 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.292 -25.322 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.477 -24.154 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.804 -25.684 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.897 -26.250 5.424 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.515 -22.523 3.459 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.525 -21.606 3.954 1.00 0.00 C ATOM 1189 C GLY A 75 -11.733 -20.421 3.031 1.00 0.00 C ATOM 1190 O GLY A 75 -12.819 -20.238 2.481 1.00 0.00 O ATOM 0 H GLY A 75 -10.831 -23.150 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.468 -22.139 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.233 -21.247 4.941 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.691 -19.614 2.863 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.765 -18.439 2.004 1.00 0.00 C ATOM 1196 C ARG A 76 -11.197 -18.824 0.592 1.00 0.00 C ATOM 1197 O ARG A 76 -11.330 -20.006 0.274 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.412 -17.727 1.958 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.212 -16.725 3.083 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.562 -17.328 4.435 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.179 -16.453 5.540 1.00 0.00 N ATOM 1202 CZ ARG A 76 -9.582 -16.632 6.793 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -10.376 -17.649 7.098 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -9.191 -15.794 7.744 1.00 0.00 N ATOM 0 H ARG A 76 -9.785 -19.753 3.311 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.510 -17.762 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.617 -18.472 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.315 -17.212 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.176 -16.388 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.832 -15.846 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.634 -17.520 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.061 -18.290 4.544 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.569 -15.661 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.679 -18.296 6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.684 -17.784 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.580 -15.011 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.502 -15.933 8.706 1.00 0.00 H new ATOM 1218 N SER A 77 -11.416 -17.819 -0.250 1.00 0.00 N ATOM 1219 CA SER A 77 -11.837 -18.052 -1.626 1.00 0.00 C ATOM 1220 C SER A 77 -10.722 -17.692 -2.604 1.00 0.00 C ATOM 1221 O SER A 77 -9.676 -17.178 -2.207 1.00 0.00 O ATOM 1222 CB SER A 77 -13.092 -17.237 -1.943 1.00 0.00 C ATOM 1223 OG SER A 77 -14.197 -17.684 -1.178 1.00 0.00 O ATOM 0 H SER A 77 -11.309 -16.835 -0.003 1.00 0.00 H new ATOM 0 HA SER A 77 -12.064 -19.112 -1.736 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.906 -16.183 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.324 -17.319 -3.005 1.00 0.00 H new ATOM 0 HG SER A 77 -14.986 -17.146 -1.398 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.954 -17.967 -3.883 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.970 -17.674 -4.918 1.00 0.00 C ATOM 1231 C ARG A 78 -9.969 -16.187 -5.262 1.00 0.00 C ATOM 1232 O ARG A 78 -8.929 -15.616 -5.590 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.259 -18.498 -6.174 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.560 -19.848 -6.190 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.531 -20.444 -7.589 1.00 0.00 C ATOM 1236 NE ARG A 78 -10.768 -21.151 -7.909 1.00 0.00 N ATOM 1237 CZ ARG A 78 -11.054 -22.369 -7.463 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -10.197 -23.011 -6.681 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -12.201 -22.947 -7.797 1.00 0.00 N ATOM 0 H ARG A 78 -11.815 -18.392 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.986 -17.942 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.335 -18.654 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.951 -17.928 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.541 -19.736 -5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.071 -20.532 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.368 -19.650 -8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.689 -21.131 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.449 -20.684 -8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.315 -22.570 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.420 -23.946 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.864 -22.456 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.420 -23.882 -7.454 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.142 -15.567 -5.185 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.276 -14.146 -5.487 1.00 0.00 C ATOM 1255 C ASP A 79 -10.546 -13.299 -4.451 1.00 0.00 C ATOM 1256 O ASP A 79 -10.395 -12.089 -4.618 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.753 -13.752 -5.538 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.573 -14.438 -4.463 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.250 -14.265 -3.269 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.538 -15.148 -4.816 1.00 0.00 O ATOM 0 H ASP A 79 -12.013 -16.025 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.825 -13.962 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.842 -12.672 -5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.160 -14.004 -6.517 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.094 -13.942 -3.378 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.386 -13.232 -2.330 1.00 0.00 C ATOM 1267 C GLY A 80 -7.916 -13.045 -2.647 1.00 0.00 C ATOM 1268 O GLY A 80 -7.258 -12.168 -2.085 1.00 0.00 O ATOM 0 H GLY A 80 -10.206 -14.943 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.849 -12.257 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.486 -13.780 -1.393 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.397 -13.872 -3.548 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.994 -13.796 -3.939 1.00 0.00 C ATOM 1274 C LEU A 81 -5.612 -12.370 -4.324 1.00 0.00 C ATOM 1275 O LEU A 81 -6.422 -11.629 -4.884 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.716 -14.743 -5.107 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.285 -16.162 -4.732 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.014 -16.629 -3.482 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.539 -17.119 -5.888 1.00 0.00 C ATOM 0 H LEU A 81 -7.927 -14.603 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.389 -14.097 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.616 -14.808 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.938 -14.301 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.216 -16.153 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.694 -17.640 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.782 -15.959 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.089 -16.623 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.227 -18.124 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.602 -17.124 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.971 -16.795 -6.760 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.375 -11.992 -4.023 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.885 -10.655 -4.341 1.00 0.00 C ATOM 1293 C LEU A 82 -2.360 -10.614 -4.316 1.00 0.00 C ATOM 1294 O LEU A 82 -1.742 -10.716 -3.256 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.449 -9.635 -3.350 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.771 -8.265 -3.338 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.439 -7.330 -4.335 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.802 -7.666 -1.939 1.00 0.00 C ATOM 0 H LEU A 82 -3.693 -12.592 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.221 -10.401 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.507 -9.492 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.385 -10.059 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.730 -8.394 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.943 -6.360 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.364 -7.753 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.489 -7.207 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.315 -6.691 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.836 -7.551 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.277 -8.326 -1.249 1.00 0.00 H new ATOM 1310 N THR A 83 -1.758 -10.462 -5.492 1.00 0.00 N ATOM 1311 CA THR A 83 -0.307 -10.407 -5.606 1.00 0.00 C ATOM 1312 C THR A 83 0.159 -9.019 -6.033 1.00 0.00 C ATOM 1313 O THR A 83 -0.505 -8.346 -6.821 1.00 0.00 O ATOM 1314 CB THR A 83 0.218 -11.444 -6.617 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.397 -12.715 -6.378 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.730 -11.580 -6.518 1.00 0.00 C ATOM 0 H THR A 83 -2.254 -10.375 -6.379 1.00 0.00 H new ATOM 0 HA THR A 83 0.095 -10.636 -4.619 1.00 0.00 H new ATOM 0 HB THR A 83 -0.035 -11.101 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.236 -13.305 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.077 -12.318 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.196 -10.618 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.001 -11.902 -5.513 1.00 0.00 H new ATOM 1324 N VAL A 84 1.304 -8.597 -5.507 1.00 0.00 N ATOM 1325 CA VAL A 84 1.860 -7.289 -5.835 1.00 0.00 C ATOM 1326 C VAL A 84 3.281 -7.414 -6.372 1.00 0.00 C ATOM 1327 O VAL A 84 4.094 -8.166 -5.835 1.00 0.00 O ATOM 1328 CB VAL A 84 1.866 -6.358 -4.608 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.371 -4.975 -4.989 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.477 -6.278 -3.994 1.00 0.00 C ATOM 0 H VAL A 84 1.865 -9.142 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 84 1.221 -6.858 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 84 2.544 -6.772 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.368 -4.331 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.386 -5.053 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.721 -4.548 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.499 -5.616 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.225 -5.888 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.159 -7.273 -3.682 1.00 0.00 H new ATOM 1340 N ASN A 85 3.574 -6.672 -7.434 1.00 0.00 N ATOM 1341 CA ASN A 85 4.898 -6.700 -8.044 1.00 0.00 C ATOM 1342 C ASN A 85 5.709 -5.472 -7.641 1.00 0.00 C ATOM 1343 O ASN A 85 5.200 -4.351 -7.637 1.00 0.00 O ATOM 1344 CB ASN A 85 4.779 -6.768 -9.568 1.00 0.00 C ATOM 1345 CG ASN A 85 4.733 -8.194 -10.082 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.553 -8.595 -10.908 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.770 -8.967 -9.594 1.00 0.00 N ATOM 0 H ASN A 85 2.913 -6.044 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 85 5.416 -7.590 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.878 -6.242 -9.883 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.625 -6.249 -10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.688 -9.936 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.112 -8.592 -8.911 1.00 0.00 H new ATOM 1354 N LEU A 86 6.975 -5.692 -7.301 1.00 0.00 N ATOM 1355 CA LEU A 86 7.858 -4.604 -6.896 1.00 0.00 C ATOM 1356 C LEU A 86 8.843 -4.259 -8.008 1.00 0.00 C ATOM 1357 O LEU A 86 9.344 -5.143 -8.703 1.00 0.00 O ATOM 1358 CB LEU A 86 8.619 -4.985 -5.625 1.00 0.00 C ATOM 1359 CG LEU A 86 7.761 -5.331 -4.407 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.625 -5.885 -3.285 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.989 -4.107 -3.934 1.00 0.00 C ATOM 0 H LEU A 86 7.412 -6.613 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 86 7.244 -3.726 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.257 -5.840 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.277 -4.158 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 86 7.044 -6.099 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.997 -6.125 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.132 -6.787 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.366 -5.140 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.384 -4.371 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.690 -3.318 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.340 -3.754 -4.735 1.00 0.00 H new ATOM 1373 N ARG A 87 9.119 -2.969 -8.169 1.00 0.00 N ATOM 1374 CA ARG A 87 10.045 -2.508 -9.196 1.00 0.00 C ATOM 1375 C ARG A 87 11.446 -3.064 -8.954 1.00 0.00 C ATOM 1376 O ARG A 87 12.203 -3.295 -9.896 1.00 0.00 O ATOM 1377 CB ARG A 87 10.089 -0.979 -9.223 1.00 0.00 C ATOM 1378 CG ARG A 87 10.839 -0.370 -8.050 1.00 0.00 C ATOM 1379 CD ARG A 87 11.254 1.064 -8.337 1.00 0.00 C ATOM 1380 NE ARG A 87 12.158 1.153 -9.481 1.00 0.00 N ATOM 1381 CZ ARG A 87 12.754 2.278 -9.861 1.00 0.00 C ATOM 1382 NH1 ARG A 87 12.542 3.403 -9.192 1.00 0.00 N ATOM 1383 NH2 ARG A 87 13.564 2.279 -10.912 1.00 0.00 N ATOM 0 H ARG A 87 8.714 -2.225 -7.601 1.00 0.00 H new ATOM 0 HA ARG A 87 9.690 -2.872 -10.160 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.558 -0.654 -10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.069 -0.595 -9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.209 -0.396 -7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.723 -0.969 -7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.366 1.667 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.741 1.484 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 87 12.342 0.305 -10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.920 3.406 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.001 4.265 -9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.730 1.416 -11.429 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.021 3.143 -11.203 1.00 0.00 H new ATOM 1397 N GLU A 88 11.782 -3.274 -7.685 1.00 0.00 N ATOM 1398 CA GLU A 88 13.092 -3.801 -7.320 1.00 0.00 C ATOM 1399 C GLU A 88 13.362 -5.126 -8.027 1.00 0.00 C ATOM 1400 O GLU A 88 14.439 -5.339 -8.580 1.00 0.00 O ATOM 1401 CB GLU A 88 13.187 -3.990 -5.805 1.00 0.00 C ATOM 1402 CG GLU A 88 12.140 -4.937 -5.243 1.00 0.00 C ATOM 1403 CD GLU A 88 12.069 -4.897 -3.729 1.00 0.00 C ATOM 1404 OE1 GLU A 88 11.850 -3.800 -3.173 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.232 -5.963 -3.100 1.00 0.00 O ATOM 0 H GLU A 88 11.166 -3.088 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 88 13.846 -3.080 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.178 -4.369 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.085 -3.020 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.164 -4.680 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.365 -5.954 -5.566 1.00 0.00 H new ATOM 1412 N GLY A 89 12.373 -6.015 -8.003 1.00 0.00 N ATOM 1413 CA GLY A 89 12.522 -7.308 -8.643 1.00 0.00 C ATOM 1414 C GLY A 89 12.025 -8.446 -7.774 1.00 0.00 C ATOM 1415 O GLY A 89 12.756 -9.401 -7.511 1.00 0.00 O ATOM 0 H GLY A 89 11.471 -5.862 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.974 -7.309 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.572 -7.471 -8.885 1.00 0.00 H new ATOM 1419 N SER A 90 10.777 -8.345 -7.326 1.00 0.00 N ATOM 1420 CA SER A 90 10.185 -9.372 -6.476 1.00 0.00 C ATOM 1421 C SER A 90 8.663 -9.261 -6.472 1.00 0.00 C ATOM 1422 O SER A 90 8.102 -8.251 -6.896 1.00 0.00 O ATOM 1423 CB SER A 90 10.720 -9.253 -5.048 1.00 0.00 C ATOM 1424 OG SER A 90 12.132 -9.377 -5.021 1.00 0.00 O ATOM 0 H SER A 90 10.157 -7.563 -7.537 1.00 0.00 H new ATOM 0 HA SER A 90 10.461 -10.346 -6.879 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.428 -8.292 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.272 -10.025 -4.423 1.00 0.00 H new ATOM 0 HG SER A 90 12.442 -9.772 -5.862 1.00 0.00 H new ATOM 1430 N ARG A 91 8.002 -10.308 -5.989 1.00 0.00 N ATOM 1431 CA ARG A 91 6.545 -10.330 -5.930 1.00 0.00 C ATOM 1432 C ARG A 91 6.063 -10.592 -4.506 1.00 0.00 C ATOM 1433 O ARG A 91 6.799 -11.131 -3.679 1.00 0.00 O ATOM 1434 CB ARG A 91 5.991 -11.400 -6.872 1.00 0.00 C ATOM 1435 CG ARG A 91 6.543 -12.791 -6.607 1.00 0.00 C ATOM 1436 CD ARG A 91 5.970 -13.812 -7.576 1.00 0.00 C ATOM 1437 NE ARG A 91 6.567 -15.133 -7.396 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.381 -16.144 -8.237 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.619 -15.987 -9.310 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.959 -17.316 -8.005 1.00 0.00 N ATOM 0 H ARG A 91 8.452 -11.152 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 91 6.179 -9.353 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.905 -11.426 -6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.217 -11.119 -7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.629 -12.775 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.310 -13.087 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.891 -13.880 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.138 -13.475 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 91 7.159 -15.287 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.173 -15.088 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.478 -16.765 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.546 -17.441 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.816 -18.092 -8.651 1.00 0.00 H new ATOM 1454 N LEU A 92 4.822 -10.207 -4.227 1.00 0.00 N ATOM 1455 CA LEU A 92 4.241 -10.400 -2.903 1.00 0.00 C ATOM 1456 C LEU A 92 2.923 -11.163 -2.992 1.00 0.00 C ATOM 1457 O LEU A 92 1.886 -10.593 -3.334 1.00 0.00 O ATOM 1458 CB LEU A 92 4.017 -9.049 -2.221 1.00 0.00 C ATOM 1459 CG LEU A 92 5.208 -8.481 -1.450 1.00 0.00 C ATOM 1460 CD1 LEU A 92 5.124 -6.964 -1.380 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.273 -9.078 -0.051 1.00 0.00 C ATOM 0 H LEU A 92 4.199 -9.760 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 92 4.940 -10.988 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.723 -8.325 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.177 -9.147 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 92 6.121 -8.750 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.980 -6.577 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.128 -6.552 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.204 -6.674 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.127 -8.662 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.357 -8.840 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.382 -10.160 -0.122 1.00 0.00 H new ATOM 1473 N HIS A 93 2.970 -12.454 -2.682 1.00 0.00 N ATOM 1474 CA HIS A 93 1.779 -13.295 -2.725 1.00 0.00 C ATOM 1475 C HIS A 93 0.946 -13.121 -1.458 1.00 0.00 C ATOM 1476 O HIS A 93 1.404 -13.422 -0.355 1.00 0.00 O ATOM 1477 CB HIS A 93 2.170 -14.763 -2.894 1.00 0.00 C ATOM 1478 CG HIS A 93 2.574 -15.118 -4.293 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.799 -15.668 -4.606 1.00 0.00 N ATOM 1480 CD2 HIS A 93 1.905 -14.999 -5.464 1.00 0.00 C ATOM 1481 CE1 HIS A 93 3.867 -15.871 -5.909 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.731 -15.474 -6.453 1.00 0.00 N ATOM 0 H HIS A 93 3.820 -12.941 -2.398 1.00 0.00 H new ATOM 0 HA HIS A 93 1.178 -12.987 -3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.994 -14.991 -2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.330 -15.391 -2.597 1.00 0.00 H new ATOM 0 HD1 HIS A 93 4.537 -15.884 -3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.908 -14.604 -5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.709 -16.291 -6.440 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.279 -12.634 -1.624 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.176 -12.419 -0.494 1.00 0.00 C ATOM 1493 C LEU A 94 -2.590 -12.886 -0.825 1.00 0.00 C ATOM 1494 O LEU A 94 -2.932 -13.084 -1.992 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.194 -10.940 -0.105 1.00 0.00 C ATOM 1496 CG LEU A 94 0.160 -10.323 0.249 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.033 -8.817 0.415 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.719 -10.956 1.515 1.00 0.00 C ATOM 0 H LEU A 94 -0.674 -12.381 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.806 -13.005 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.625 -10.373 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.861 -10.817 0.748 1.00 0.00 H new ATOM 0 HG LEU A 94 0.853 -10.520 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.006 -8.395 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.323 -8.377 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.675 -8.597 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.683 -10.505 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.027 -10.790 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.848 -12.027 1.360 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.408 -13.058 0.208 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.786 -13.501 0.026 1.00 0.00 C ATOM 1512 C CYS A 95 -5.693 -12.905 1.098 1.00 0.00 C ATOM 1513 O CYS A 95 -5.430 -13.038 2.292 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.863 -15.028 0.067 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.546 -15.684 0.005 1.00 0.00 S ATOM 0 H CYS A 95 -3.141 -12.898 1.179 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.128 -13.154 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.296 -15.432 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.380 -15.381 0.978 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.368 -14.818 0.519 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.762 -12.246 0.661 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.708 -11.630 1.582 1.00 0.00 C ATOM 1523 C ALA A 96 -8.869 -12.571 1.887 1.00 0.00 C ATOM 1524 O ALA A 96 -8.990 -13.637 1.285 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.226 -10.319 1.009 1.00 0.00 C ATOM 0 H ALA A 96 -6.994 -12.126 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.186 -11.424 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.932 -9.870 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.391 -9.637 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.727 -10.509 0.060 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.720 -12.168 2.826 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.870 -12.978 3.211 1.00 0.00 C ATOM 1533 C GLU A 97 -11.975 -12.886 2.163 1.00 0.00 C ATOM 1534 O GLU A 97 -12.543 -13.898 1.751 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.405 -12.529 4.573 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.846 -11.075 4.604 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.377 -10.656 5.961 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -11.781 -11.056 6.982 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -13.391 -9.927 6.001 1.00 0.00 O ATOM 0 H GLU A 97 -9.635 -11.287 3.333 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.544 -14.016 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.248 -13.162 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.632 -12.682 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.004 -10.438 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.618 -10.917 3.851 1.00 0.00 H new ATOM 1546 N THR A 98 -12.277 -11.664 1.734 1.00 0.00 N ATOM 1547 CA THR A 98 -13.314 -11.438 0.736 1.00 0.00 C ATOM 1548 C THR A 98 -12.771 -10.656 -0.454 1.00 0.00 C ATOM 1549 O THR A 98 -11.694 -10.064 -0.381 1.00 0.00 O ATOM 1550 CB THR A 98 -14.512 -10.676 1.333 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.087 -9.397 1.817 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.146 -11.468 2.467 1.00 0.00 C ATOM 0 H THR A 98 -11.817 -10.815 2.063 1.00 0.00 H new ATOM 0 HA THR A 98 -13.648 -12.420 0.400 1.00 0.00 H new ATOM 0 HB THR A 98 -15.255 -10.538 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.855 -8.918 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.990 -10.910 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.495 -12.429 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.408 -11.633 3.252 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.524 -10.656 -1.549 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.117 -9.946 -2.756 1.00 0.00 C ATOM 1562 C ARG A 99 -13.167 -8.436 -2.542 1.00 0.00 C ATOM 1563 O ARG A 99 -12.658 -7.666 -3.356 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.016 -10.335 -3.931 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.482 -9.998 -3.713 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.196 -9.741 -5.031 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.410 -8.950 -4.850 1.00 0.00 N ATOM 1568 CZ ARG A 99 -17.976 -8.240 -5.820 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -17.440 -8.223 -7.033 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.081 -7.546 -5.578 1.00 0.00 N ATOM 0 H ARG A 99 -14.419 -11.139 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.090 -10.230 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.665 -9.828 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.921 -11.406 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.971 -10.818 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.563 -9.117 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.523 -9.221 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.450 -10.693 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.847 -8.942 -3.929 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.591 -8.756 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.877 -7.677 -7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.497 -7.557 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.515 -7.001 -6.323 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.786 -8.020 -1.442 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.903 -6.603 -1.120 1.00 0.00 C ATOM 1586 C ASP A 100 -12.580 -6.053 -0.596 1.00 0.00 C ATOM 1587 O ASP A 100 -12.059 -5.065 -1.112 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.006 -6.383 -0.084 1.00 0.00 C ATOM 1589 CG ASP A 100 -16.288 -7.111 -0.439 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -16.847 -6.834 -1.520 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -16.732 -7.958 0.364 1.00 0.00 O ATOM 0 H ASP A 100 -14.214 -8.644 -0.759 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.161 -6.069 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.657 -6.722 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.210 -5.316 0.004 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.042 -6.700 0.432 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.779 -6.276 1.026 1.00 0.00 C ATOM 1598 C ASP A 101 -9.659 -6.291 -0.009 1.00 0.00 C ATOM 1599 O ASP A 101 -8.792 -5.419 -0.012 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.415 -7.183 2.203 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.088 -6.758 3.492 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.226 -7.206 3.744 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.477 -5.976 4.250 1.00 0.00 O ATOM 0 H ASP A 101 -12.460 -7.520 0.871 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.901 -5.255 1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.700 -8.209 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.334 -7.176 2.342 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.685 -7.289 -0.887 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.673 -7.417 -1.928 1.00 0.00 C ATOM 1610 C ALA A 102 -8.621 -6.166 -2.800 1.00 0.00 C ATOM 1611 O ALA A 102 -7.553 -5.591 -3.013 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.946 -8.646 -2.782 1.00 0.00 C ATOM 0 H ALA A 102 -10.396 -8.020 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.703 -7.532 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.182 -8.729 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.925 -9.537 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.927 -8.554 -3.249 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.780 -5.752 -3.302 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.865 -4.569 -4.150 1.00 0.00 C ATOM 1620 C ILE A 103 -9.354 -3.332 -3.420 1.00 0.00 C ATOM 1621 O ILE A 103 -8.577 -2.551 -3.969 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.310 -4.316 -4.618 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.832 -5.518 -5.407 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.379 -3.051 -5.462 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.323 -5.475 -5.657 1.00 0.00 C ATOM 0 H ILE A 103 -10.672 -6.218 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.238 -4.758 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.942 -4.180 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.313 -5.568 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.589 -6.432 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.407 -2.885 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.043 -2.200 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.737 -3.161 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.623 -6.358 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.851 -5.457 -4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.571 -4.579 -6.226 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.795 -3.159 -2.178 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.380 -2.019 -1.371 1.00 0.00 C ATOM 1639 C ALA A 104 -7.863 -1.866 -1.377 1.00 0.00 C ATOM 1640 O ALA A 104 -7.341 -0.760 -1.523 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.892 -2.166 0.054 1.00 0.00 C ATOM 0 H ALA A 104 -10.440 -3.795 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.812 -1.119 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.574 -1.307 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.981 -2.218 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.488 -3.078 0.493 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.160 -2.981 -1.216 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.702 -2.970 -1.202 1.00 0.00 C ATOM 1649 C TRP A 105 -5.146 -2.625 -2.579 1.00 0.00 C ATOM 1650 O TRP A 105 -4.218 -1.825 -2.703 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.165 -4.329 -0.749 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.033 -4.449 0.740 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.600 -5.401 1.539 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.289 -3.586 1.606 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.252 -5.181 2.850 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.448 -4.075 2.918 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.501 -2.450 1.402 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.849 -3.464 4.017 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.908 -1.845 2.493 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -3.084 -2.353 3.787 1.00 0.00 C ATOM 0 H TRP A 105 -7.576 -3.904 -1.093 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.377 -2.205 -0.497 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.829 -5.113 -1.112 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.191 -4.498 -1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.229 -6.207 1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.545 -5.750 3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.358 -2.052 0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.984 -3.853 5.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -2.298 -0.966 2.346 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.606 -1.858 4.619 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.720 -3.232 -3.613 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.283 -2.987 -4.983 1.00 0.00 C ATOM 1673 C LYS A 106 -5.372 -1.503 -5.325 1.00 0.00 C ATOM 1674 O LYS A 106 -4.473 -0.946 -5.956 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.133 -3.799 -5.963 1.00 0.00 C ATOM 1676 CG LYS A 106 -6.034 -3.315 -7.399 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.388 -4.416 -8.384 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.720 -4.193 -9.733 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.329 -3.051 -10.470 1.00 0.00 N ATOM 0 H LYS A 106 -6.489 -3.897 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.242 -3.300 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.825 -4.844 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.175 -3.760 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.702 -2.466 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.022 -2.961 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.080 -5.380 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.469 -4.455 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.657 -4.005 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.803 -5.099 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.847 -2.931 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.338 -3.242 -10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.228 -2.182 -9.908 1.00 0.00 H new ATOM 1693 N THR A 107 -6.460 -0.867 -4.904 1.00 0.00 N ATOM 1694 CA THR A 107 -6.665 0.552 -5.166 1.00 0.00 C ATOM 1695 C THR A 107 -5.774 1.410 -4.275 1.00 0.00 C ATOM 1696 O THR A 107 -5.136 2.353 -4.742 1.00 0.00 O ATOM 1697 CB THR A 107 -8.135 0.957 -4.945 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.985 0.214 -5.826 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.327 2.447 -5.183 1.00 0.00 C ATOM 0 H THR A 107 -7.213 -1.312 -4.380 1.00 0.00 H new ATOM 0 HA THR A 107 -6.402 0.722 -6.210 1.00 0.00 H new ATOM 0 HB THR A 107 -8.400 0.734 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.918 0.476 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.372 2.710 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.700 3.010 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.046 2.691 -6.208 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.735 1.077 -2.989 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.919 1.816 -2.033 1.00 0.00 C ATOM 1709 C ALA A 108 -3.440 1.732 -2.393 1.00 0.00 C ATOM 1710 O ALA A 108 -2.669 2.651 -2.113 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.152 1.291 -0.624 1.00 0.00 C ATOM 0 H ALA A 108 -6.259 0.300 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.216 2.864 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.537 1.852 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.203 1.409 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.883 0.236 -0.580 1.00 0.00 H new ATOM 1717 N LEU A 109 -3.049 0.624 -3.014 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.661 0.420 -3.412 1.00 0.00 C ATOM 1719 C LEU A 109 -1.383 1.061 -4.768 1.00 0.00 C ATOM 1720 O LEU A 109 -0.484 1.891 -4.901 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.340 -1.074 -3.467 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.296 -1.801 -2.122 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.351 -3.307 -2.327 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.047 -1.411 -1.345 1.00 0.00 C ATOM 0 H LEU A 109 -3.674 -0.146 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.022 0.896 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.084 -1.562 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.375 -1.200 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.168 -1.502 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.319 -3.807 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.275 -3.571 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.499 -3.624 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.033 -1.938 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.839 -1.679 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.051 -0.336 -1.166 1.00 0.00 H new ATOM 1736 N MET A 110 -2.163 0.672 -5.772 1.00 0.00 N ATOM 1737 CA MET A 110 -2.003 1.211 -7.117 1.00 0.00 C ATOM 1738 C MET A 110 -1.977 2.736 -7.092 1.00 0.00 C ATOM 1739 O MET A 110 -1.293 3.367 -7.896 1.00 0.00 O ATOM 1740 CB MET A 110 -3.135 0.724 -8.023 1.00 0.00 C ATOM 1741 CG MET A 110 -2.908 -0.672 -8.581 1.00 0.00 C ATOM 1742 SD MET A 110 -1.897 -0.668 -10.073 1.00 0.00 S ATOM 1743 CE MET A 110 -0.423 -1.498 -9.485 1.00 0.00 C ATOM 0 H MET A 110 -2.912 -0.014 -5.679 1.00 0.00 H new ATOM 0 HA MET A 110 -1.052 0.855 -7.513 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.069 0.735 -7.461 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.253 1.423 -8.851 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.426 -1.288 -7.822 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.871 -1.132 -8.801 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.404 -1.297 -10.166 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.171 -1.131 -8.490 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.604 -2.572 -9.440 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.727 3.321 -6.163 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.790 4.772 -6.035 1.00 0.00 C ATOM 1755 C GLU A 111 -1.497 5.322 -5.438 1.00 0.00 C ATOM 1756 O GLU A 111 -0.770 6.071 -6.090 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.980 5.179 -5.164 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.264 5.392 -5.948 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.382 6.799 -6.502 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.736 7.088 -7.531 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.122 7.610 -5.906 1.00 0.00 O ATOM 0 H GLU A 111 -3.299 2.813 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.918 5.193 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.148 4.409 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.733 6.098 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.307 4.677 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.118 5.187 -5.302 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.220 4.946 -4.194 1.00 0.00 N ATOM 1769 CA ALA A 112 -0.016 5.400 -3.509 1.00 0.00 C ATOM 1770 C ALA A 112 1.219 5.205 -4.383 1.00 0.00 C ATOM 1771 O ALA A 112 2.162 5.993 -4.325 1.00 0.00 O ATOM 1772 CB ALA A 112 0.149 4.664 -2.188 1.00 0.00 C ATOM 0 H ALA A 112 -1.813 4.328 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.122 6.466 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.052 5.013 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.716 4.858 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.229 3.593 -2.376 1.00 0.00 H new ATOM 1778 N ASN A 113 1.206 4.150 -5.191 1.00 0.00 N ATOM 1779 CA ASN A 113 2.326 3.852 -6.076 1.00 0.00 C ATOM 1780 C ASN A 113 2.449 4.906 -7.172 1.00 0.00 C ATOM 1781 O ASN A 113 3.553 5.258 -7.588 1.00 0.00 O ATOM 1782 CB ASN A 113 2.153 2.466 -6.702 1.00 0.00 C ATOM 1783 CG ASN A 113 2.889 2.332 -8.022 1.00 0.00 C ATOM 1784 OD1 ASN A 113 4.115 2.427 -8.074 1.00 0.00 O ATOM 1785 ND2 ASN A 113 2.141 2.111 -9.096 1.00 0.00 N ATOM 0 H ASN A 113 0.433 3.488 -5.251 1.00 0.00 H new ATOM 0 HA ASN A 113 3.240 3.864 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.517 1.709 -6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.092 2.271 -6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.580 2.013 -10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.128 2.039 -9.006 1.00 0.00 H new ATOM 1792 N SER A 114 1.308 5.405 -7.636 1.00 0.00 N ATOM 1793 CA SER A 114 1.287 6.417 -8.686 1.00 0.00 C ATOM 1794 C SER A 114 0.654 7.710 -8.182 1.00 0.00 C ATOM 1795 O SER A 114 -0.066 8.390 -8.914 1.00 0.00 O ATOM 1796 CB SER A 114 0.519 5.901 -9.905 1.00 0.00 C ATOM 1797 OG SER A 114 -0.852 5.714 -9.602 1.00 0.00 O ATOM 0 H SER A 114 0.386 5.125 -7.302 1.00 0.00 H new ATOM 0 HA SER A 114 2.317 6.626 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.620 6.608 -10.728 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.953 4.959 -10.240 1.00 0.00 H new ATOM 0 HG SER A 114 -0.956 4.922 -9.034 1.00 0.00 H new ATOM 1803 N THR A 115 0.928 8.045 -6.925 1.00 0.00 N ATOM 1804 CA THR A 115 0.386 9.255 -6.321 1.00 0.00 C ATOM 1805 C THR A 115 1.300 9.776 -5.217 1.00 0.00 C ATOM 1806 O THR A 115 1.358 9.229 -4.116 1.00 0.00 O ATOM 1807 CB THR A 115 -1.018 9.011 -5.736 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.979 8.914 -6.793 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.412 10.133 -4.787 1.00 0.00 C ATOM 0 H THR A 115 1.523 7.495 -6.305 1.00 0.00 H new ATOM 0 HA THR A 115 0.317 10.000 -7.114 1.00 0.00 H new ATOM 0 HB THR A 115 -0.997 8.075 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.514 8.845 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.407 9.938 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.695 10.185 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.417 11.080 -5.326 1.00 0.00 H new ATOM 1817 N PRO A 116 2.031 10.860 -5.516 1.00 0.00 N ATOM 1818 CA PRO A 116 2.955 11.480 -4.562 1.00 0.00 C ATOM 1819 C PRO A 116 2.226 12.168 -3.412 1.00 0.00 C ATOM 1820 O PRO A 116 0.999 12.260 -3.410 1.00 0.00 O ATOM 1821 CB PRO A 116 3.706 12.509 -5.411 1.00 0.00 C ATOM 1822 CG PRO A 116 2.773 12.831 -6.527 1.00 0.00 C ATOM 1823 CD PRO A 116 2.012 11.565 -6.809 1.00 0.00 C ATOM 0 HA PRO A 116 3.604 10.744 -4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.951 13.398 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.646 12.104 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.097 13.639 -6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.320 13.162 -7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.994 11.773 -7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.487 10.977 -7.594 1.00 0.00 H new ATOM 1831 N ALA A 117 2.990 12.650 -2.437 1.00 0.00 N ATOM 1832 CA ALA A 117 2.416 13.331 -1.284 1.00 0.00 C ATOM 1833 C ALA A 117 2.748 14.820 -1.305 1.00 0.00 C ATOM 1834 O ALA A 117 3.715 15.273 -0.692 1.00 0.00 O ATOM 1835 CB ALA A 117 2.913 12.696 0.006 1.00 0.00 C ATOM 0 H ALA A 117 4.008 12.581 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 117 1.332 13.226 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.476 13.215 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.620 11.646 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.999 12.771 0.053 1.00 0.00 H new ATOM 1841 N PRO A 118 1.929 15.600 -2.026 1.00 0.00 N ATOM 1842 CA PRO A 118 2.116 17.049 -2.143 1.00 0.00 C ATOM 1843 C PRO A 118 1.822 17.779 -0.838 1.00 0.00 C ATOM 1844 O PRO A 118 0.702 18.235 -0.609 1.00 0.00 O ATOM 1845 CB PRO A 118 1.106 17.451 -3.220 1.00 0.00 C ATOM 1846 CG PRO A 118 0.052 16.399 -3.162 1.00 0.00 C ATOM 1847 CD PRO A 118 0.757 15.127 -2.781 1.00 0.00 C ATOM 0 HA PRO A 118 3.146 17.308 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.690 18.439 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 118 1.572 17.491 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -0.714 16.655 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -0.448 16.295 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 118 0.122 14.482 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.050 14.551 -3.659 1.00 0.00 H new ATOM 1855 N ALA A 119 2.836 17.888 0.016 1.00 0.00 N ATOM 1856 CA ALA A 119 2.686 18.565 1.298 1.00 0.00 C ATOM 1857 C ALA A 119 4.043 18.952 1.876 1.00 0.00 C ATOM 1858 O ALA A 119 4.929 18.112 2.021 1.00 0.00 O ATOM 1859 CB ALA A 119 1.926 17.682 2.276 1.00 0.00 C ATOM 0 H ALA A 119 3.770 17.516 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 119 2.116 19.479 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.822 18.201 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.938 17.460 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.473 16.752 2.427 1.00 0.00 H new ATOM 1865 N GLY A 120 4.198 20.232 2.204 1.00 0.00 N ATOM 1866 CA GLY A 120 5.450 20.707 2.762 1.00 0.00 C ATOM 1867 C GLY A 120 5.318 22.077 3.399 1.00 0.00 C ATOM 1868 O GLY A 120 5.969 23.031 2.975 1.00 0.00 O ATOM 0 H GLY A 120 3.479 20.947 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.805 19.996 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 120 6.203 20.747 1.975 1.00 0.00 H new ATOM 1872 N ALA A 121 4.471 22.174 4.418 1.00 0.00 N ATOM 1873 CA ALA A 121 4.256 23.436 5.115 1.00 0.00 C ATOM 1874 C ALA A 121 5.580 24.053 5.555 1.00 0.00 C ATOM 1875 O ALA A 121 6.580 23.353 5.717 1.00 0.00 O ATOM 1876 CB ALA A 121 3.344 23.227 6.315 1.00 0.00 C ATOM 0 H ALA A 121 3.922 21.394 4.779 1.00 0.00 H new ATOM 0 HA ALA A 121 3.775 24.128 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 121 3.192 24.178 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.383 22.838 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 121 3.803 22.515 7.001 1.00 0.00 H new ATOM 1882 N THR A 122 5.579 25.369 5.746 1.00 0.00 N ATOM 1883 CA THR A 122 6.780 26.080 6.164 1.00 0.00 C ATOM 1884 C THR A 122 6.980 25.982 7.672 1.00 0.00 C ATOM 1885 O THR A 122 8.102 25.823 8.151 1.00 0.00 O ATOM 1886 CB THR A 122 6.722 27.566 5.761 1.00 0.00 C ATOM 1887 OG1 THR A 122 5.591 28.196 6.373 1.00 0.00 O ATOM 1888 CG2 THR A 122 6.635 27.713 4.250 1.00 0.00 C ATOM 0 H THR A 122 4.760 25.963 5.618 1.00 0.00 H new ATOM 0 HA THR A 122 7.620 25.606 5.657 1.00 0.00 H new ATOM 0 HB THR A 122 7.636 28.049 6.105 1.00 0.00 H new ATOM 0 HG1 THR A 122 5.562 29.141 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 122 6.595 28.771 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.512 27.258 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 122 5.735 27.216 3.887 1.00 0.00 H new ATOM 1896 N VAL A 123 5.883 26.079 8.417 1.00 0.00 N ATOM 1897 CA VAL A 123 5.937 25.999 9.872 1.00 0.00 C ATOM 1898 C VAL A 123 6.061 24.553 10.339 1.00 0.00 C ATOM 1899 O VAL A 123 5.299 23.676 9.932 1.00 0.00 O ATOM 1900 CB VAL A 123 4.688 26.630 10.516 1.00 0.00 C ATOM 1901 CG1 VAL A 123 3.422 26.062 9.893 1.00 0.00 C ATOM 1902 CG2 VAL A 123 4.697 26.410 12.021 1.00 0.00 C ATOM 0 H VAL A 123 4.946 26.213 8.037 1.00 0.00 H new ATOM 0 HA VAL A 123 6.819 26.556 10.187 1.00 0.00 H new ATOM 0 HB VAL A 123 4.706 27.704 10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.550 26.519 10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 123 3.415 26.276 8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 123 3.393 24.983 10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.808 26.862 12.460 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.703 25.341 12.232 1.00 0.00 H new ATOM 0 HG23 VAL A 123 5.587 26.869 12.451 1.00 0.00 H new ATOM 1912 N PRO A 124 7.044 24.296 11.214 1.00 0.00 N ATOM 1913 CA PRO A 124 7.291 22.957 11.757 1.00 0.00 C ATOM 1914 C PRO A 124 6.190 22.506 12.711 1.00 0.00 C ATOM 1915 O PRO A 124 5.898 23.180 13.699 1.00 0.00 O ATOM 1916 CB PRO A 124 8.616 23.116 12.507 1.00 0.00 C ATOM 1917 CG PRO A 124 8.679 24.562 12.862 1.00 0.00 C ATOM 1918 CD PRO A 124 7.990 25.293 11.743 1.00 0.00 C ATOM 0 HA PRO A 124 7.317 22.199 10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 124 8.645 22.488 13.398 1.00 0.00 H new ATOM 0 HB3 PRO A 124 9.461 22.824 11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 124 8.185 24.752 13.815 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.712 24.893 12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.475 26.184 12.102 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.698 25.619 10.981 1.00 0.00 H new ATOM 1926 N SER A 125 5.583 21.363 12.410 1.00 0.00 N ATOM 1927 CA SER A 125 4.512 20.824 13.240 1.00 0.00 C ATOM 1928 C SER A 125 4.812 19.384 13.646 1.00 0.00 C ATOM 1929 O SER A 125 5.489 18.652 12.927 1.00 0.00 O ATOM 1930 CB SER A 125 3.178 20.887 12.492 1.00 0.00 C ATOM 1931 OG SER A 125 3.259 20.214 11.248 1.00 0.00 O ATOM 0 H SER A 125 5.815 20.792 11.597 1.00 0.00 H new ATOM 0 HA SER A 125 4.444 21.431 14.143 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.394 20.438 13.102 1.00 0.00 H new ATOM 0 HB3 SER A 125 2.898 21.928 12.329 1.00 0.00 H new ATOM 0 HG SER A 125 2.394 20.267 10.790 1.00 0.00 H new ATOM 1937 N GLY A 126 4.301 18.985 14.808 1.00 0.00 N ATOM 1938 CA GLY A 126 4.525 17.636 15.292 1.00 0.00 C ATOM 1939 C GLY A 126 3.382 17.131 16.150 1.00 0.00 C ATOM 1940 O GLY A 126 2.770 17.881 16.911 1.00 0.00 O ATOM 0 H GLY A 126 3.736 19.572 15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.661 16.966 14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 126 5.449 17.609 15.870 1.00 0.00 H new ATOM 1944 N PRO A 127 3.077 15.830 16.031 1.00 0.00 N ATOM 1945 CA PRO A 127 1.997 15.197 16.794 1.00 0.00 C ATOM 1946 C PRO A 127 2.325 15.086 18.279 1.00 0.00 C ATOM 1947 O PRO A 127 2.911 14.098 18.723 1.00 0.00 O ATOM 1948 CB PRO A 127 1.887 13.806 16.165 1.00 0.00 C ATOM 1949 CG PRO A 127 3.236 13.542 15.591 1.00 0.00 C ATOM 1950 CD PRO A 127 3.764 14.877 15.144 1.00 0.00 C ATOM 0 HA PRO A 127 1.073 15.774 16.749 1.00 0.00 H new ATOM 0 HB2 PRO A 127 1.619 13.055 16.909 1.00 0.00 H new ATOM 0 HB3 PRO A 127 1.117 13.780 15.394 1.00 0.00 H new ATOM 0 HG2 PRO A 127 3.894 13.091 16.333 1.00 0.00 H new ATOM 0 HG3 PRO A 127 3.175 12.846 14.754 1.00 0.00 H new ATOM 0 HD2 PRO A 127 4.847 14.937 15.251 1.00 0.00 H new ATOM 0 HD3 PRO A 127 3.537 15.068 14.095 1.00 0.00 H new ATOM 1958 N SER A 128 1.942 16.104 19.043 1.00 0.00 N ATOM 1959 CA SER A 128 2.198 16.122 20.478 1.00 0.00 C ATOM 1960 C SER A 128 0.952 15.710 21.258 1.00 0.00 C ATOM 1961 O SER A 128 0.081 16.533 21.537 1.00 0.00 O ATOM 1962 CB SER A 128 2.652 17.514 20.920 1.00 0.00 C ATOM 1963 OG SER A 128 1.682 18.494 20.594 1.00 0.00 O ATOM 0 H SER A 128 1.453 16.927 18.692 1.00 0.00 H new ATOM 0 HA SER A 128 2.992 15.405 20.689 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.830 17.518 21.995 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.599 17.761 20.439 1.00 0.00 H new ATOM 0 HG SER A 128 0.799 18.193 20.894 1.00 0.00 H new ATOM 1969 N SER A 129 0.876 14.429 21.606 1.00 0.00 N ATOM 1970 CA SER A 129 -0.264 13.906 22.349 1.00 0.00 C ATOM 1971 C SER A 129 0.103 13.672 23.812 1.00 0.00 C ATOM 1972 O SER A 129 1.104 13.026 24.117 1.00 0.00 O ATOM 1973 CB SER A 129 -0.754 12.601 21.720 1.00 0.00 C ATOM 1974 OG SER A 129 -1.905 12.113 22.388 1.00 0.00 O ATOM 0 H SER A 129 1.590 13.735 21.385 1.00 0.00 H new ATOM 0 HA SER A 129 -1.064 14.645 22.306 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.983 12.765 20.667 1.00 0.00 H new ATOM 0 HB3 SER A 129 0.038 11.854 21.761 1.00 0.00 H new ATOM 0 HG SER A 129 -2.199 11.279 21.966 1.00 0.00 H new ATOM 1980 N GLY A 130 -0.717 14.204 24.713 1.00 0.00 N ATOM 1981 CA GLY A 130 -0.463 14.043 26.133 1.00 0.00 C ATOM 1982 C GLY A 130 -0.678 15.327 26.909 1.00 0.00 C ATOM 1983 O GLY A 130 -0.809 15.306 28.133 1.00 0.00 O ATOM 0 H GLY A 130 -1.552 14.743 24.485 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -1.118 13.268 26.531 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.561 13.701 26.279 1.00 0.00 H new TER 1987 GLY A 130