USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 604 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 140:sc= -0.104 (180deg=-0.48) USER MOD Single : A 27 TYR OH : rot 110:sc= -0.557 USER MOD Single : A 28 TYR OH : rot 39:sc= 0.0264 USER MOD Single : A 31 HIS : no HD1:sc=-0.00994 X(o=-0.0099,f=-0.0052) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 138:sc= -0.14 (180deg=-0.726) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.554 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -38:sc= 1.27 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.683 X(o=-0.68,f=-0.31) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.16) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 170:sc= 0.0791 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc=-0.000755 (180deg=-0.208) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 4.002 5.262 -12.937 1.00 0.00 N ATOM 2 CA SER A 7 3.018 6.152 -13.511 1.00 0.00 C ATOM 3 C SER A 7 1.731 5.986 -12.725 1.00 0.00 C ATOM 4 O SER A 7 1.482 4.908 -12.155 1.00 0.00 O ATOM 5 CB SER A 7 2.808 5.806 -14.989 1.00 0.00 C ATOM 6 OG SER A 7 1.992 6.763 -15.640 1.00 0.00 O ATOM 0 HA SER A 7 3.350 7.189 -13.457 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.774 5.750 -15.491 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.349 4.821 -15.070 1.00 0.00 H new ATOM 0 HG SER A 7 1.881 6.512 -16.581 1.00 0.00 H new ATOM 12 N GLY A 8 0.922 7.014 -12.681 1.00 0.00 N ATOM 13 CA GLY A 8 -0.280 6.965 -11.898 1.00 0.00 C ATOM 14 C GLY A 8 -0.016 7.460 -10.503 1.00 0.00 C ATOM 15 O GLY A 8 1.121 7.810 -10.170 1.00 0.00 O ATOM 0 H GLY A 8 1.076 7.892 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.052 7.574 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.658 5.943 -11.863 1.00 0.00 H new ATOM 19 N ARG A 9 -1.032 7.485 -9.687 1.00 0.00 N ATOM 20 CA ARG A 9 -0.897 7.971 -8.330 1.00 0.00 C ATOM 21 C ARG A 9 -1.350 6.945 -7.326 1.00 0.00 C ATOM 22 O ARG A 9 -1.740 7.275 -6.217 1.00 0.00 O ATOM 23 CB ARG A 9 -1.656 9.268 -8.153 1.00 0.00 C ATOM 24 CG ARG A 9 -1.050 10.423 -8.921 1.00 0.00 C ATOM 25 CD ARG A 9 -1.860 11.661 -8.732 1.00 0.00 C ATOM 26 NE ARG A 9 -1.917 12.078 -7.324 1.00 0.00 N ATOM 27 CZ ARG A 9 -2.816 12.924 -6.814 1.00 0.00 C ATOM 28 NH1 ARG A 9 -3.736 13.486 -7.604 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 -2.794 13.198 -5.515 1.00 0.00 N ATOM 0 H ARG A 9 -1.971 7.174 -9.934 1.00 0.00 H new ATOM 0 HA ARG A 9 0.161 8.160 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.687 9.125 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.687 9.521 -7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.028 10.595 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.998 10.174 -9.981 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.434 12.466 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.872 11.491 -9.100 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.218 11.693 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.753 13.269 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.421 14.131 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.094 12.763 -4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.477 13.843 -5.118 1.00 0.00 H new ATOM 43 N GLU A 10 -1.203 5.692 -7.679 1.00 0.00 N ATOM 44 CA GLU A 10 -1.638 4.604 -6.818 1.00 0.00 C ATOM 45 C GLU A 10 -0.521 4.096 -5.937 1.00 0.00 C ATOM 46 O GLU A 10 -0.624 3.048 -5.288 1.00 0.00 O ATOM 47 CB GLU A 10 -2.279 3.497 -7.609 1.00 0.00 C ATOM 48 CG GLU A 10 -3.599 3.890 -8.224 1.00 0.00 C ATOM 49 CD GLU A 10 -4.227 2.759 -8.960 1.00 0.00 C ATOM 50 OE1 GLU A 10 -4.573 1.752 -8.323 1.00 0.00 O1- ATOM 51 OE2 GLU A 10 -4.366 2.844 -10.190 1.00 0.00 O ATOM 0 H GLU A 10 -0.784 5.393 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.401 5.008 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.597 3.183 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.431 2.636 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.276 4.235 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.447 4.727 -8.906 1.00 0.00 H new ATOM 58 N ASN A 11 0.518 4.866 -5.897 1.00 0.00 N ATOM 59 CA ASN A 11 1.656 4.611 -5.020 1.00 0.00 C ATOM 60 C ASN A 11 1.283 5.177 -3.652 1.00 0.00 C ATOM 61 O ASN A 11 1.776 4.746 -2.584 1.00 0.00 O ATOM 62 CB ASN A 11 2.928 5.289 -5.569 1.00 0.00 C ATOM 63 CG ASN A 11 4.182 4.978 -4.756 1.00 0.00 C ATOM 64 OD1 ASN A 11 4.511 5.672 -3.798 1.00 0.00 O ATOM 65 ND2 ASN A 11 4.897 3.948 -5.142 1.00 0.00 N ATOM 0 H ASN A 11 0.619 5.703 -6.471 1.00 0.00 H new ATOM 0 HA ASN A 11 1.872 3.545 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.084 4.970 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.776 6.368 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.752 3.705 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.598 3.390 -5.942 1.00 0.00 H new ATOM 72 N LEU A 12 0.390 6.141 -3.709 1.00 0.00 N ATOM 73 CA LEU A 12 -0.217 6.725 -2.567 1.00 0.00 C ATOM 74 C LEU A 12 -1.428 5.903 -2.219 1.00 0.00 C ATOM 75 O LEU A 12 -2.408 5.888 -2.962 1.00 0.00 O ATOM 76 CB LEU A 12 -0.667 8.153 -2.868 1.00 0.00 C ATOM 77 CG LEU A 12 -1.378 8.859 -1.721 1.00 0.00 C ATOM 78 CD1 LEU A 12 -0.414 9.223 -0.607 1.00 0.00 C ATOM 79 CD2 LEU A 12 -2.170 10.059 -2.204 1.00 0.00 C ATOM 0 H LEU A 12 0.066 6.543 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 12 0.499 6.749 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.206 8.741 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.332 8.134 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.097 8.155 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.957 9.725 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.051 8.317 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.357 9.889 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.662 10.535 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.497 10.772 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.921 9.733 -2.924 1.00 0.00 H new ATOM 91 N TYR A 13 -1.343 5.165 -1.146 1.00 0.00 N ATOM 92 CA TYR A 13 -2.483 4.433 -0.683 1.00 0.00 C ATOM 93 C TYR A 13 -3.472 5.441 -0.162 1.00 0.00 C ATOM 94 O TYR A 13 -3.150 6.208 0.763 1.00 0.00 O ATOM 95 CB TYR A 13 -2.103 3.434 0.412 1.00 0.00 C ATOM 96 CG TYR A 13 -1.080 2.414 -0.021 1.00 0.00 C ATOM 97 CD1 TYR A 13 -1.422 1.379 -0.881 1.00 0.00 C ATOM 98 CD2 TYR A 13 0.230 2.491 0.424 1.00 0.00 C ATOM 99 CE1 TYR A 13 -0.484 0.448 -1.281 1.00 0.00 C ATOM 100 CE2 TYR A 13 1.169 1.567 0.029 1.00 0.00 C ATOM 101 CZ TYR A 13 0.809 0.548 -0.822 1.00 0.00 C ATOM 102 OH TYR A 13 1.753 -0.374 -1.220 1.00 0.00 O ATOM 0 H TYR A 13 -0.501 5.057 -0.581 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.911 3.850 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.715 3.981 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.002 2.915 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.437 1.301 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.518 3.289 1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.763 -0.353 -1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.186 1.641 0.386 1.00 0.00 H new ATOM 0 HH TYR A 13 2.615 -0.159 -0.806 1.00 0.00 H new ATOM 112 N PHE A 14 -4.628 5.486 -0.787 1.00 0.00 N ATOM 113 CA PHE A 14 -5.668 6.436 -0.450 1.00 0.00 C ATOM 114 C PHE A 14 -5.998 6.359 1.023 1.00 0.00 C ATOM 115 O PHE A 14 -6.141 5.260 1.596 1.00 0.00 O ATOM 116 CB PHE A 14 -6.891 6.245 -1.346 1.00 0.00 C ATOM 117 CG PHE A 14 -6.559 6.430 -2.805 1.00 0.00 C ATOM 118 CD1 PHE A 14 -6.500 7.701 -3.362 1.00 0.00 C ATOM 119 CD2 PHE A 14 -6.273 5.338 -3.613 1.00 0.00 C ATOM 120 CE1 PHE A 14 -6.169 7.877 -4.692 1.00 0.00 C ATOM 121 CE2 PHE A 14 -5.935 5.508 -4.943 1.00 0.00 C ATOM 122 CZ PHE A 14 -5.884 6.777 -5.482 1.00 0.00 C ATOM 0 H PHE A 14 -4.876 4.858 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.303 7.446 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.301 5.247 -1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.666 6.956 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.716 8.563 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.315 4.342 -3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.133 8.871 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.711 4.649 -5.559 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.622 6.912 -6.521 1.00 0.00 H new ATOM 132 N GLN A 15 -6.052 7.507 1.630 1.00 0.00 N ATOM 133 CA GLN A 15 -6.166 7.650 3.041 1.00 0.00 C ATOM 134 C GLN A 15 -7.566 7.454 3.525 1.00 0.00 C ATOM 135 O GLN A 15 -8.372 8.378 3.581 1.00 0.00 O ATOM 136 CB GLN A 15 -5.566 8.969 3.508 1.00 0.00 C ATOM 137 CG GLN A 15 -4.083 9.085 3.188 1.00 0.00 C ATOM 138 CD GLN A 15 -3.452 10.343 3.731 1.00 0.00 C ATOM 139 OE1 GLN A 15 -3.409 11.382 3.063 1.00 0.00 O ATOM 140 NE2 GLN A 15 -2.924 10.259 4.924 1.00 0.00 N ATOM 0 H GLN A 15 -6.016 8.398 1.134 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.583 6.850 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.101 9.794 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.710 9.069 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.561 8.220 3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.948 9.057 2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.979 9.384 5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.457 11.068 5.333 1.00 0.00 H new ATOM 149 N GLY A 16 -7.857 6.225 3.742 1.00 0.00 N ATOM 150 CA GLY A 16 -9.098 5.815 4.331 1.00 0.00 C ATOM 151 C GLY A 16 -10.108 5.462 3.289 1.00 0.00 C ATOM 152 O GLY A 16 -9.777 5.389 2.095 1.00 0.00 O ATOM 0 H GLY A 16 -7.232 5.452 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.928 4.956 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.486 6.617 4.959 1.00 0.00 H new ATOM 156 N HIS A 17 -11.320 5.223 3.716 1.00 0.00 N ATOM 157 CA HIS A 17 -12.407 4.941 2.809 1.00 0.00 C ATOM 158 C HIS A 17 -12.795 6.246 2.168 1.00 0.00 C ATOM 159 O HIS A 17 -13.379 7.126 2.821 1.00 0.00 O ATOM 160 CB HIS A 17 -13.582 4.335 3.577 1.00 0.00 C ATOM 161 CG HIS A 17 -14.771 3.955 2.748 1.00 0.00 C ATOM 162 ND1 HIS A 17 -15.999 4.563 2.853 1.00 0.00 N ATOM 163 CD2 HIS A 17 -14.919 2.974 1.834 1.00 0.00 C ATOM 164 CE1 HIS A 17 -16.840 3.948 2.025 1.00 0.00 C ATOM 165 NE2 HIS A 17 -16.233 2.970 1.379 1.00 0.00 N ATOM 0 H HIS A 17 -11.584 5.218 4.701 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.111 4.220 2.047 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.230 3.448 4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.904 5.049 4.336 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.141 2.299 1.508 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -17.879 4.213 1.899 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.643 2.341 0.689 1.00 0.00 H new ATOM 173 N MET A 18 -12.446 6.396 0.925 1.00 0.00 N ATOM 174 CA MET A 18 -12.627 7.643 0.261 1.00 0.00 C ATOM 175 C MET A 18 -14.050 7.829 -0.156 1.00 0.00 C ATOM 176 O MET A 18 -14.523 7.206 -1.108 1.00 0.00 O ATOM 177 CB MET A 18 -11.716 7.778 -0.955 1.00 0.00 C ATOM 178 CG MET A 18 -11.656 9.191 -1.517 1.00 0.00 C ATOM 179 SD MET A 18 -11.027 10.412 -0.335 1.00 0.00 S ATOM 180 CE MET A 18 -9.368 9.775 -0.032 1.00 0.00 C ATOM 0 H MET A 18 -12.032 5.662 0.351 1.00 0.00 H new ATOM 0 HA MET A 18 -12.360 8.420 0.977 1.00 0.00 H new ATOM 0 HB2 MET A 18 -10.709 7.462 -0.681 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.062 7.100 -1.735 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.022 9.194 -2.403 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.654 9.489 -1.838 1.00 0.00 H new ATOM 0 HE1 MET A 18 -8.664 10.605 0.027 1.00 0.00 H new ATOM 0 HE2 MET A 18 -9.356 9.222 0.907 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.079 9.111 -0.847 1.00 0.00 H new ATOM 190 N ALA A 19 -14.765 8.589 0.606 1.00 0.00 N ATOM 191 CA ALA A 19 -16.029 9.050 0.181 1.00 0.00 C ATOM 192 C ALA A 19 -15.694 10.168 -0.760 1.00 0.00 C ATOM 193 O ALA A 19 -15.138 11.177 -0.321 1.00 0.00 O ATOM 194 CB ALA A 19 -16.856 9.541 1.356 1.00 0.00 C ATOM 0 H ALA A 19 -14.484 8.902 1.535 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.631 8.272 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -17.825 9.890 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -17.003 8.725 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -16.335 10.361 1.850 1.00 0.00 H new ATOM 200 N ALA A 20 -15.908 9.931 -2.046 1.00 0.00 N ATOM 201 CA ALA A 20 -15.490 10.836 -3.106 1.00 0.00 C ATOM 202 C ALA A 20 -15.939 12.276 -2.861 1.00 0.00 C ATOM 203 O ALA A 20 -17.136 12.567 -2.872 1.00 0.00 O ATOM 204 CB ALA A 20 -15.997 10.350 -4.458 1.00 0.00 C ATOM 0 H ALA A 20 -16.382 9.095 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.400 10.834 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.674 11.040 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.594 9.358 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.086 10.304 -4.443 1.00 0.00 H new ATOM 210 N PRO A 21 -14.981 13.191 -2.598 1.00 0.00 N ATOM 211 CA PRO A 21 -15.292 14.604 -2.385 1.00 0.00 C ATOM 212 C PRO A 21 -15.547 15.306 -3.714 1.00 0.00 C ATOM 213 O PRO A 21 -16.136 16.384 -3.772 1.00 0.00 O ATOM 214 CB PRO A 21 -14.031 15.152 -1.709 1.00 0.00 C ATOM 215 CG PRO A 21 -12.922 14.265 -2.168 1.00 0.00 C ATOM 216 CD PRO A 21 -13.530 12.913 -2.453 1.00 0.00 C ATOM 0 HA PRO A 21 -16.191 14.757 -1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.850 16.188 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.127 15.133 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.448 14.671 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.149 14.187 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.116 12.473 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.338 12.211 -1.642 1.00 0.00 H new ATOM 224 N ALA A 22 -15.096 14.679 -4.774 1.00 0.00 N ATOM 225 CA ALA A 22 -15.296 15.172 -6.096 1.00 0.00 C ATOM 226 C ALA A 22 -16.643 14.704 -6.578 1.00 0.00 C ATOM 227 O ALA A 22 -17.033 13.551 -6.340 1.00 0.00 O ATOM 228 CB ALA A 22 -14.195 14.681 -7.025 1.00 0.00 C ATOM 0 H ALA A 22 -14.575 13.803 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.261 16.261 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.366 15.069 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.229 15.031 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.200 13.591 -7.051 1.00 0.00 H new ATOM 234 N ARG A 23 -17.360 15.576 -7.204 1.00 0.00 N ATOM 235 CA ARG A 23 -18.676 15.246 -7.710 1.00 0.00 C ATOM 236 C ARG A 23 -18.581 14.862 -9.156 1.00 0.00 C ATOM 237 O ARG A 23 -19.342 14.012 -9.658 1.00 0.00 O ATOM 238 CB ARG A 23 -19.618 16.420 -7.565 1.00 0.00 C ATOM 239 CG ARG A 23 -19.964 16.782 -6.141 1.00 0.00 C ATOM 240 CD ARG A 23 -20.834 18.018 -6.115 1.00 0.00 C ATOM 241 NE ARG A 23 -20.114 19.193 -6.613 1.00 0.00 N ATOM 242 CZ ARG A 23 -20.567 20.061 -7.522 1.00 0.00 C ATOM 243 NH1 ARG A 23 -21.761 19.907 -8.066 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -19.829 21.092 -7.870 1.00 0.00 N ATOM 0 H ARG A 23 -17.065 16.535 -7.385 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.066 14.410 -7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.170 17.289 -8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.540 16.197 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.484 15.952 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.052 16.958 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.723 17.851 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.174 18.203 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.184 19.364 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -22.348 19.119 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.096 20.576 -8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.911 21.229 -7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.174 21.755 -8.564 1.00 0.00 H new ATOM 258 N PHE A 24 -17.634 15.467 -9.814 1.00 0.00 N ATOM 259 CA PHE A 24 -17.414 15.274 -11.209 1.00 0.00 C ATOM 260 C PHE A 24 -15.938 15.243 -11.445 1.00 0.00 C ATOM 261 O PHE A 24 -15.157 15.593 -10.565 1.00 0.00 O ATOM 262 CB PHE A 24 -17.929 16.483 -12.028 1.00 0.00 C ATOM 263 CG PHE A 24 -19.364 16.876 -11.854 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.354 16.287 -12.612 1.00 0.00 C ATOM 265 CD2 PHE A 24 -19.715 17.870 -10.958 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.664 16.673 -12.477 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.025 18.264 -10.821 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.001 17.666 -11.580 1.00 0.00 C ATOM 0 H PHE A 24 -16.982 16.121 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 24 -17.925 14.359 -11.507 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.311 17.346 -11.778 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.765 16.268 -13.084 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -20.096 15.513 -13.320 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.951 18.342 -10.359 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.431 16.200 -13.072 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -21.286 19.042 -10.118 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.031 17.973 -11.475 1.00 0.00 H new ATOM 278 N CYS A 25 -15.571 14.804 -12.585 1.00 0.00 N ATOM 279 CA CYS A 25 -14.265 15.034 -13.091 1.00 0.00 C ATOM 280 C CYS A 25 -14.472 15.930 -14.294 1.00 0.00 C ATOM 281 O CYS A 25 -15.343 15.658 -15.141 1.00 0.00 O ATOM 282 CB CYS A 25 -13.549 13.740 -13.500 1.00 0.00 C ATOM 283 SG CYS A 25 -13.062 12.633 -12.129 1.00 0.00 S ATOM 0 H CYS A 25 -16.174 14.266 -13.207 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.627 15.481 -12.329 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.199 13.185 -14.176 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -12.654 14.005 -14.064 1.00 0.00 H new ATOM 288 N VAL A 26 -13.762 17.009 -14.343 1.00 0.00 N ATOM 289 CA VAL A 26 -13.910 17.963 -15.407 1.00 0.00 C ATOM 290 C VAL A 26 -12.891 17.686 -16.475 1.00 0.00 C ATOM 291 O VAL A 26 -11.700 17.579 -16.187 1.00 0.00 O ATOM 292 CB VAL A 26 -13.759 19.408 -14.887 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.924 20.403 -16.006 1.00 0.00 C ATOM 294 CG2 VAL A 26 -14.782 19.675 -13.822 1.00 0.00 C ATOM 0 H VAL A 26 -13.059 17.260 -13.647 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.912 17.863 -15.825 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.758 19.518 -14.470 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.813 21.414 -15.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.164 20.224 -16.767 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.914 20.292 -16.448 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.671 20.697 -13.459 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.782 19.544 -14.237 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.638 18.978 -12.996 1.00 0.00 H new ATOM 304 N TYR A 27 -13.364 17.542 -17.684 1.00 0.00 N ATOM 305 CA TYR A 27 -12.513 17.229 -18.798 1.00 0.00 C ATOM 306 C TYR A 27 -12.166 18.437 -19.602 1.00 0.00 C ATOM 307 O TYR A 27 -12.980 19.367 -19.749 1.00 0.00 O ATOM 308 CB TYR A 27 -13.122 16.150 -19.679 1.00 0.00 C ATOM 309 CG TYR A 27 -13.131 14.794 -19.023 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.014 14.490 -18.002 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.240 13.825 -19.420 1.00 0.00 C ATOM 312 CE1 TYR A 27 -13.999 13.253 -17.394 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.221 12.590 -18.825 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.105 12.308 -17.809 1.00 0.00 C ATOM 315 OH TYR A 27 -13.086 11.076 -17.200 1.00 0.00 O ATOM 0 H TYR A 27 -14.351 17.639 -17.923 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.584 16.841 -18.379 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.144 16.431 -19.935 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.563 16.092 -20.613 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.726 15.234 -17.676 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.542 14.041 -20.215 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.690 13.033 -16.594 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.515 11.841 -19.153 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.425 10.399 -17.822 1.00 0.00 H new ATOM 325 N TYR A 28 -10.961 18.432 -20.101 1.00 0.00 N ATOM 326 CA TYR A 28 -10.433 19.494 -20.898 1.00 0.00 C ATOM 327 C TYR A 28 -9.687 18.921 -22.089 1.00 0.00 C ATOM 328 O TYR A 28 -9.139 17.813 -22.014 1.00 0.00 O ATOM 329 CB TYR A 28 -9.430 20.328 -20.105 1.00 0.00 C ATOM 330 CG TYR A 28 -9.927 21.002 -18.852 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.895 20.348 -17.632 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.377 22.307 -18.884 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.307 20.975 -16.484 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.780 22.947 -17.739 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.745 22.276 -16.539 1.00 0.00 C ATOM 336 OH TYR A 28 -11.132 22.915 -15.383 1.00 0.00 O ATOM 0 H TYR A 28 -10.304 17.665 -19.958 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.273 20.113 -21.213 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.596 19.682 -19.832 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.034 21.098 -20.767 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.540 19.329 -17.584 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.412 22.833 -19.827 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.287 20.449 -15.541 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.122 23.971 -17.780 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.532 22.660 -14.652 1.00 0.00 H new ATOM 346 N ASP A 29 -9.681 19.666 -23.161 1.00 0.00 N ATOM 347 CA ASP A 29 -8.899 19.354 -24.350 1.00 0.00 C ATOM 348 C ASP A 29 -7.546 20.004 -24.187 1.00 0.00 C ATOM 349 O ASP A 29 -7.441 21.237 -24.226 1.00 0.00 O ATOM 350 CB ASP A 29 -9.586 19.927 -25.608 1.00 0.00 C ATOM 351 CG ASP A 29 -8.790 19.749 -26.911 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.804 20.491 -27.142 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.200 18.945 -27.762 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.226 20.524 -23.245 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.808 18.274 -24.466 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.559 19.449 -25.724 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.770 20.990 -25.453 1.00 0.00 H new ATOM 358 N GLY A 30 -6.552 19.220 -23.920 1.00 0.00 N ATOM 359 CA GLY A 30 -5.218 19.729 -23.787 1.00 0.00 C ATOM 360 C GLY A 30 -4.575 19.301 -22.504 1.00 0.00 C ATOM 361 O GLY A 30 -5.217 19.236 -21.454 1.00 0.00 O ATOM 0 H GLY A 30 -6.637 18.212 -23.788 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.614 19.385 -24.627 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.240 20.818 -23.835 1.00 0.00 H new ATOM 365 N HIS A 31 -3.303 19.045 -22.586 1.00 0.00 N ATOM 366 CA HIS A 31 -2.518 18.570 -21.471 1.00 0.00 C ATOM 367 C HIS A 31 -1.855 19.759 -20.757 1.00 0.00 C ATOM 368 O HIS A 31 -1.264 19.618 -19.677 1.00 0.00 O ATOM 369 CB HIS A 31 -1.446 17.616 -22.020 1.00 0.00 C ATOM 370 CG HIS A 31 -0.744 16.823 -20.979 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.575 16.984 -20.631 1.00 0.00 N ATOM 372 CD2 HIS A 31 -1.215 15.826 -20.227 1.00 0.00 C ATOM 373 CE1 HIS A 31 0.862 16.090 -19.693 1.00 0.00 C ATOM 374 NE2 HIS A 31 -0.197 15.351 -19.401 1.00 0.00 N ATOM 0 H HIS A 31 -2.765 19.161 -23.445 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.151 18.049 -20.752 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.913 16.932 -22.728 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.710 18.196 -22.576 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.226 15.447 -20.254 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.831 15.980 -19.229 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.256 14.596 -18.718 1.00 0.00 H new ATOM 382 N LEU A 32 -1.976 20.922 -21.363 1.00 0.00 N ATOM 383 CA LEU A 32 -1.338 22.119 -20.858 1.00 0.00 C ATOM 384 C LEU A 32 -2.330 23.038 -20.187 1.00 0.00 C ATOM 385 O LEU A 32 -3.342 23.429 -20.797 1.00 0.00 O ATOM 386 CB LEU A 32 -0.573 22.875 -21.959 1.00 0.00 C ATOM 387 CG LEU A 32 0.865 22.407 -22.263 1.00 0.00 C ATOM 388 CD1 LEU A 32 0.927 20.951 -22.693 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.487 23.290 -23.321 1.00 0.00 C ATOM 0 H LEU A 32 -2.517 21.064 -22.216 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.615 21.790 -20.112 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.152 22.809 -22.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.534 23.928 -21.682 1.00 0.00 H new ATOM 0 HG LEU A 32 1.432 22.491 -21.336 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.962 20.675 -22.894 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.531 20.320 -21.898 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.332 20.813 -23.596 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.502 22.950 -23.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.894 23.237 -24.234 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.514 24.320 -22.965 1.00 0.00 H new ATOM 401 N PRO A 33 -2.033 23.451 -18.944 1.00 0.00 N ATOM 402 CA PRO A 33 -2.913 24.310 -18.149 1.00 0.00 C ATOM 403 C PRO A 33 -3.109 25.705 -18.766 1.00 0.00 C ATOM 404 O PRO A 33 -4.062 26.404 -18.449 1.00 0.00 O ATOM 405 CB PRO A 33 -2.208 24.398 -16.788 1.00 0.00 C ATOM 406 CG PRO A 33 -0.789 24.058 -17.058 1.00 0.00 C ATOM 407 CD PRO A 33 -0.805 23.090 -18.198 1.00 0.00 C ATOM 0 HA PRO A 33 -3.922 23.901 -18.087 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.299 25.397 -16.362 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.649 23.705 -16.071 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.216 24.950 -17.312 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.320 23.617 -16.179 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.085 23.188 -18.820 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.837 22.058 -17.848 1.00 0.00 H new ATOM 415 N ALA A 34 -2.228 26.090 -19.667 1.00 0.00 N ATOM 416 CA ALA A 34 -2.345 27.384 -20.320 1.00 0.00 C ATOM 417 C ALA A 34 -3.202 27.315 -21.581 1.00 0.00 C ATOM 418 O ALA A 34 -3.631 28.349 -22.107 1.00 0.00 O ATOM 419 CB ALA A 34 -0.978 27.924 -20.679 1.00 0.00 C ATOM 0 H ALA A 34 -1.428 25.532 -19.964 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.833 28.052 -19.610 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.086 28.893 -21.167 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.382 28.038 -19.773 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.479 27.231 -21.356 1.00 0.00 H new ATOM 425 N THR A 35 -3.464 26.125 -22.066 1.00 0.00 N ATOM 426 CA THR A 35 -4.135 26.002 -23.348 1.00 0.00 C ATOM 427 C THR A 35 -5.456 25.216 -23.261 1.00 0.00 C ATOM 428 O THR A 35 -6.363 25.428 -24.077 1.00 0.00 O ATOM 429 CB THR A 35 -3.197 25.267 -24.326 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.846 25.711 -24.104 1.00 0.00 O ATOM 431 CG2 THR A 35 -3.572 25.568 -25.769 1.00 0.00 C ATOM 0 H THR A 35 -3.231 25.243 -21.609 1.00 0.00 H new ATOM 0 HA THR A 35 -4.372 27.010 -23.688 1.00 0.00 H new ATOM 0 HB THR A 35 -3.288 24.195 -24.151 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.243 25.246 -24.722 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.895 25.038 -26.439 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.596 25.242 -25.954 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.494 26.640 -25.949 1.00 0.00 H new ATOM 439 N ARG A 36 -5.564 24.353 -22.250 1.00 0.00 N ATOM 440 CA ARG A 36 -6.649 23.376 -22.156 1.00 0.00 C ATOM 441 C ARG A 36 -8.065 23.983 -22.258 1.00 0.00 C ATOM 442 O ARG A 36 -8.379 24.980 -21.626 1.00 0.00 O ATOM 443 CB ARG A 36 -6.461 22.433 -20.933 1.00 0.00 C ATOM 444 CG ARG A 36 -6.979 22.874 -19.534 1.00 0.00 C ATOM 445 CD ARG A 36 -6.381 24.165 -18.971 1.00 0.00 C ATOM 446 NE ARG A 36 -7.146 25.365 -19.341 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.389 26.414 -18.533 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.947 26.413 -17.274 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -8.093 27.455 -18.980 1.00 0.00 N ATOM 0 H ARG A 36 -4.903 24.312 -21.474 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.575 22.756 -23.050 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.943 21.486 -21.175 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.394 22.233 -20.837 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.061 22.993 -19.591 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.784 22.068 -18.826 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.333 24.093 -17.884 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.357 24.270 -19.329 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.524 25.406 -20.288 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.422 25.614 -16.919 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.135 27.211 -16.667 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.449 27.457 -19.936 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.276 28.249 -18.366 1.00 0.00 H new ATOM 463 N VAL A 37 -8.873 23.399 -23.097 1.00 0.00 N ATOM 464 CA VAL A 37 -10.222 23.882 -23.335 1.00 0.00 C ATOM 465 C VAL A 37 -11.205 23.088 -22.491 1.00 0.00 C ATOM 466 O VAL A 37 -11.206 21.865 -22.541 1.00 0.00 O ATOM 467 CB VAL A 37 -10.618 23.737 -24.834 1.00 0.00 C ATOM 468 CG1 VAL A 37 -12.002 24.322 -25.108 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.579 24.380 -25.736 1.00 0.00 C ATOM 0 H VAL A 37 -8.623 22.573 -23.641 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.253 24.937 -23.064 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.656 22.671 -25.058 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.245 24.203 -26.164 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.744 23.800 -24.504 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.006 25.381 -24.852 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.880 24.265 -26.777 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.496 25.440 -25.498 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.614 23.897 -25.581 1.00 0.00 H new ATOM 479 N LEU A 38 -12.003 23.786 -21.716 1.00 0.00 N ATOM 480 CA LEU A 38 -13.042 23.192 -20.874 1.00 0.00 C ATOM 481 C LEU A 38 -14.034 22.429 -21.757 1.00 0.00 C ATOM 482 O LEU A 38 -14.568 22.986 -22.720 1.00 0.00 O ATOM 483 CB LEU A 38 -13.737 24.349 -20.074 1.00 0.00 C ATOM 484 CG LEU A 38 -14.917 24.039 -19.107 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.221 23.722 -19.831 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.557 22.920 -18.167 1.00 0.00 C ATOM 0 H LEU A 38 -11.955 24.802 -21.645 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.621 22.479 -20.165 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.963 24.847 -19.489 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.100 25.073 -20.804 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.089 24.951 -18.535 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.002 23.515 -19.100 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.514 24.575 -20.444 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.080 22.849 -20.468 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.396 22.720 -17.501 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.328 22.022 -18.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.686 23.206 -17.578 1.00 0.00 H new ATOM 498 N LEU A 39 -14.254 21.161 -21.456 1.00 0.00 N ATOM 499 CA LEU A 39 -15.170 20.376 -22.246 1.00 0.00 C ATOM 500 C LEU A 39 -16.495 20.132 -21.526 1.00 0.00 C ATOM 501 O LEU A 39 -17.524 20.617 -21.979 1.00 0.00 O ATOM 502 CB LEU A 39 -14.538 19.045 -22.672 1.00 0.00 C ATOM 503 CG LEU A 39 -13.276 19.137 -23.539 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.749 17.753 -23.845 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.552 19.894 -24.832 1.00 0.00 C ATOM 0 H LEU A 39 -13.815 20.664 -20.681 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.387 20.959 -23.141 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.295 18.479 -21.773 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.286 18.470 -23.218 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.521 19.688 -22.979 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.853 17.833 -24.461 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.505 17.243 -22.913 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.509 17.185 -24.381 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.640 19.944 -25.426 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.326 19.377 -25.398 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.888 20.904 -24.598 1.00 0.00 H new ATOM 517 N MET A 40 -16.469 19.424 -20.382 1.00 0.00 N ATOM 518 CA MET A 40 -17.714 19.059 -19.669 1.00 0.00 C ATOM 519 C MET A 40 -17.440 18.371 -18.342 1.00 0.00 C ATOM 520 O MET A 40 -16.307 17.912 -18.080 1.00 0.00 O ATOM 521 CB MET A 40 -18.620 18.182 -20.556 1.00 0.00 C ATOM 522 CG MET A 40 -17.988 16.886 -20.987 1.00 0.00 C ATOM 523 SD MET A 40 -19.013 15.934 -22.128 1.00 0.00 S ATOM 524 CE MET A 40 -19.090 17.053 -23.530 1.00 0.00 C ATOM 0 H MET A 40 -15.614 19.095 -19.934 1.00 0.00 H new ATOM 0 HA MET A 40 -18.235 19.991 -19.448 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.539 17.963 -20.013 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.901 18.750 -21.443 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.030 17.098 -21.461 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.780 16.280 -20.105 1.00 0.00 H new ATOM 0 HE1 MET A 40 -18.977 16.487 -24.454 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.052 17.565 -23.534 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.288 17.787 -23.454 1.00 0.00 H new ATOM 534 N TYR A 41 -18.469 18.325 -17.516 1.00 0.00 N ATOM 535 CA TYR A 41 -18.430 17.708 -16.194 1.00 0.00 C ATOM 536 C TYR A 41 -18.938 16.273 -16.288 1.00 0.00 C ATOM 537 O TYR A 41 -20.081 16.048 -16.718 1.00 0.00 O ATOM 538 CB TYR A 41 -19.386 18.424 -15.222 1.00 0.00 C ATOM 539 CG TYR A 41 -19.192 19.906 -14.977 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.337 20.370 -13.988 1.00 0.00 C ATOM 541 CD2 TYR A 41 -19.916 20.836 -15.699 1.00 0.00 C ATOM 542 CE1 TYR A 41 -18.205 21.726 -13.739 1.00 0.00 C ATOM 543 CE2 TYR A 41 -19.798 22.180 -15.452 1.00 0.00 C ATOM 544 CZ TYR A 41 -18.946 22.624 -14.477 1.00 0.00 C ATOM 545 OH TYR A 41 -18.845 23.980 -14.232 1.00 0.00 O ATOM 0 H TYR A 41 -19.379 18.724 -17.747 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.400 17.764 -15.841 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.402 18.279 -15.589 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.320 17.918 -14.259 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -17.766 19.664 -13.404 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -20.588 20.498 -16.473 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.528 22.076 -12.974 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -20.377 22.888 -16.027 1.00 0.00 H new ATOM 0 HH TYR A 41 -19.435 24.468 -14.844 1.00 0.00 H new ATOM 555 N VAL A 42 -18.133 15.316 -15.896 1.00 0.00 N ATOM 556 CA VAL A 42 -18.593 13.936 -15.878 1.00 0.00 C ATOM 557 C VAL A 42 -18.775 13.478 -14.441 1.00 0.00 C ATOM 558 O VAL A 42 -17.828 13.514 -13.653 1.00 0.00 O ATOM 559 CB VAL A 42 -17.642 12.978 -16.620 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.226 11.568 -16.666 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.381 13.479 -18.020 1.00 0.00 C ATOM 0 H VAL A 42 -17.171 15.456 -15.589 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.546 13.907 -16.407 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.698 12.943 -16.077 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.539 10.907 -17.194 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.373 11.202 -15.650 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.183 11.588 -17.187 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.707 12.792 -18.533 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.322 13.539 -18.566 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.925 14.468 -17.973 1.00 0.00 H new ATOM 571 N ARG A 43 -19.988 13.083 -14.113 1.00 0.00 N ATOM 572 CA ARG A 43 -20.380 12.672 -12.784 1.00 0.00 C ATOM 573 C ARG A 43 -19.608 11.413 -12.357 1.00 0.00 C ATOM 574 O ARG A 43 -19.465 10.447 -13.130 1.00 0.00 O ATOM 575 CB ARG A 43 -21.874 12.361 -12.785 1.00 0.00 C ATOM 576 CG ARG A 43 -22.533 12.310 -11.410 1.00 0.00 C ATOM 577 CD ARG A 43 -23.010 13.685 -10.985 1.00 0.00 C ATOM 578 NE ARG A 43 -23.991 14.204 -11.955 1.00 0.00 N ATOM 579 CZ ARG A 43 -24.774 15.272 -11.807 1.00 0.00 C ATOM 580 NH1 ARG A 43 -24.747 15.992 -10.692 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -25.593 15.611 -12.794 1.00 0.00 N ATOM 0 H ARG A 43 -20.752 13.038 -14.788 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.156 13.477 -12.084 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.384 13.114 -13.386 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.028 11.401 -13.279 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.376 11.619 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.824 11.924 -10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.460 13.632 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.162 14.366 -10.914 1.00 0.00 H new ATOM 0 HE ARG A 43 -24.080 13.691 -12.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.120 15.731 -9.931 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -25.353 16.807 -10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -25.617 15.057 -13.650 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -26.199 16.426 -12.697 1.00 0.00 H new ATOM 595 N ILE A 44 -19.124 11.444 -11.147 1.00 0.00 N ATOM 596 CA ILE A 44 -18.384 10.330 -10.555 1.00 0.00 C ATOM 597 C ILE A 44 -19.255 9.088 -10.441 1.00 0.00 C ATOM 598 O ILE A 44 -20.287 9.078 -9.746 1.00 0.00 O ATOM 599 CB ILE A 44 -17.787 10.690 -9.159 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.788 11.837 -9.290 1.00 0.00 C ATOM 601 CG2 ILE A 44 -17.129 9.471 -8.488 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.566 11.518 -10.118 1.00 0.00 C ATOM 0 H ILE A 44 -19.226 12.246 -10.525 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.554 10.120 -11.229 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.609 11.009 -8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -17.296 12.694 -9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.466 12.136 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.726 9.763 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.873 8.686 -8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.322 9.099 -9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.914 12.391 -10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.029 10.683 -9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.872 11.250 -11.129 1.00 0.00 H new ATOM 614 N GLY A 45 -18.861 8.089 -11.162 1.00 0.00 N ATOM 615 CA GLY A 45 -19.522 6.821 -11.158 1.00 0.00 C ATOM 616 C GLY A 45 -20.482 6.742 -12.293 1.00 0.00 C ATOM 617 O GLY A 45 -21.320 5.857 -12.354 1.00 0.00 O ATOM 0 H GLY A 45 -18.054 8.131 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.788 6.019 -11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.050 6.680 -10.215 1.00 0.00 H new ATOM 621 N THR A 46 -20.388 7.699 -13.183 1.00 0.00 N ATOM 622 CA THR A 46 -21.282 7.780 -14.282 1.00 0.00 C ATOM 623 C THR A 46 -20.495 7.857 -15.591 1.00 0.00 C ATOM 624 O THR A 46 -19.252 8.023 -15.605 1.00 0.00 O ATOM 625 CB THR A 46 -22.130 9.026 -14.107 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.357 9.223 -12.698 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.480 8.886 -14.749 1.00 0.00 C ATOM 0 H THR A 46 -19.685 8.438 -13.155 1.00 0.00 H new ATOM 0 HA THR A 46 -21.918 6.896 -14.319 1.00 0.00 H new ATOM 0 HB THR A 46 -21.598 9.856 -14.572 1.00 0.00 H new ATOM 0 HG1 THR A 46 -23.220 9.668 -12.565 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.051 9.802 -14.598 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.358 8.706 -15.817 1.00 0.00 H new ATOM 0 HG23 THR A 46 -24.012 8.048 -14.299 1.00 0.00 H new ATOM 635 N THR A 47 -21.205 7.719 -16.644 1.00 0.00 N ATOM 636 CA THR A 47 -20.675 7.754 -17.961 1.00 0.00 C ATOM 637 C THR A 47 -21.085 9.028 -18.652 1.00 0.00 C ATOM 638 O THR A 47 -22.093 9.650 -18.284 1.00 0.00 O ATOM 639 CB THR A 47 -21.158 6.548 -18.789 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.596 6.412 -18.689 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.489 5.261 -18.340 1.00 0.00 C ATOM 0 H THR A 47 -22.214 7.572 -16.616 1.00 0.00 H new ATOM 0 HA THR A 47 -19.589 7.711 -17.883 1.00 0.00 H new ATOM 0 HB THR A 47 -20.883 6.731 -19.828 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.890 5.643 -19.221 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.853 4.431 -18.946 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.409 5.351 -18.460 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.723 5.076 -17.292 1.00 0.00 H new ATOM 649 N ALA A 48 -20.321 9.408 -19.629 1.00 0.00 N ATOM 650 CA ALA A 48 -20.588 10.596 -20.419 1.00 0.00 C ATOM 651 C ALA A 48 -19.893 10.502 -21.748 1.00 0.00 C ATOM 652 O ALA A 48 -18.858 9.841 -21.872 1.00 0.00 O ATOM 653 CB ALA A 48 -20.138 11.848 -19.697 1.00 0.00 C ATOM 0 H ALA A 48 -19.481 8.904 -19.913 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.665 10.658 -20.575 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.352 12.721 -20.314 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.672 11.934 -18.750 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.066 11.792 -19.506 1.00 0.00 H new ATOM 659 N THR A 49 -20.457 11.138 -22.728 1.00 0.00 N ATOM 660 CA THR A 49 -19.888 11.165 -24.035 1.00 0.00 C ATOM 661 C THR A 49 -19.116 12.469 -24.222 1.00 0.00 C ATOM 662 O THR A 49 -19.707 13.555 -24.276 1.00 0.00 O ATOM 663 CB THR A 49 -20.988 11.066 -25.096 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.853 9.978 -24.767 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.395 10.829 -26.483 1.00 0.00 C ATOM 0 H THR A 49 -21.331 11.656 -22.640 1.00 0.00 H new ATOM 0 HA THR A 49 -19.214 10.316 -24.147 1.00 0.00 H new ATOM 0 HB THR A 49 -21.540 12.006 -25.112 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.323 9.234 -24.413 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.199 10.763 -27.216 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.734 11.656 -26.743 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.828 9.898 -26.482 1.00 0.00 H new ATOM 673 N ILE A 50 -17.818 12.353 -24.312 1.00 0.00 N ATOM 674 CA ILE A 50 -16.949 13.484 -24.491 1.00 0.00 C ATOM 675 C ILE A 50 -16.727 13.624 -25.974 1.00 0.00 C ATOM 676 O ILE A 50 -16.742 12.640 -26.699 1.00 0.00 O ATOM 677 CB ILE A 50 -15.557 13.231 -23.853 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.674 12.688 -22.429 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.699 14.501 -23.870 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.310 13.639 -21.443 1.00 0.00 C ATOM 0 H ILE A 50 -17.329 11.459 -24.262 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.400 14.363 -24.030 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.064 12.472 -24.460 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.256 11.767 -22.452 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.678 12.427 -22.071 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.730 14.292 -23.416 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.554 14.829 -24.899 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.201 15.287 -23.306 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.351 13.170 -20.460 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.718 14.552 -21.385 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.320 13.882 -21.772 1.00 0.00 H new ATOM 692 N THR A 51 -16.579 14.802 -26.422 1.00 0.00 N ATOM 693 CA THR A 51 -16.298 15.043 -27.797 1.00 0.00 C ATOM 694 C THR A 51 -15.153 16.026 -27.886 1.00 0.00 C ATOM 695 O THR A 51 -15.281 17.174 -27.454 1.00 0.00 O ATOM 696 CB THR A 51 -17.538 15.583 -28.532 1.00 0.00 C ATOM 697 OG1 THR A 51 -18.640 14.683 -28.299 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.280 15.680 -30.033 1.00 0.00 C ATOM 0 H THR A 51 -16.648 15.644 -25.850 1.00 0.00 H new ATOM 0 HA THR A 51 -16.022 14.106 -28.280 1.00 0.00 H new ATOM 0 HB THR A 51 -17.768 16.580 -28.155 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.438 15.016 -28.761 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.170 16.064 -30.531 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.443 16.354 -30.216 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.042 14.691 -30.426 1.00 0.00 H new ATOM 706 N ALA A 52 -14.032 15.562 -28.368 1.00 0.00 N ATOM 707 CA ALA A 52 -12.875 16.399 -28.526 1.00 0.00 C ATOM 708 C ALA A 52 -12.163 16.038 -29.810 1.00 0.00 C ATOM 709 O ALA A 52 -11.945 14.862 -30.092 1.00 0.00 O ATOM 710 CB ALA A 52 -11.952 16.273 -27.329 1.00 0.00 C ATOM 0 H ALA A 52 -13.896 14.595 -28.662 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.191 17.441 -28.583 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.083 16.915 -27.471 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.483 16.575 -26.426 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.626 15.238 -27.229 1.00 0.00 H new ATOM 716 N ARG A 53 -11.834 17.057 -30.591 1.00 0.00 N ATOM 717 CA ARG A 53 -11.202 16.951 -31.922 1.00 0.00 C ATOM 718 C ARG A 53 -12.079 16.140 -32.862 1.00 0.00 C ATOM 719 O ARG A 53 -11.606 15.539 -33.832 1.00 0.00 O ATOM 720 CB ARG A 53 -9.814 16.329 -31.858 1.00 0.00 C ATOM 721 CG ARG A 53 -8.886 16.972 -30.871 1.00 0.00 C ATOM 722 CD ARG A 53 -7.455 16.541 -31.120 1.00 0.00 C ATOM 723 NE ARG A 53 -7.322 15.088 -31.352 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.158 14.433 -31.435 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.026 15.038 -31.104 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.139 13.160 -31.821 1.00 0.00 N ATOM 0 H ARG A 53 -12.002 18.024 -30.314 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.093 17.967 -32.301 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.915 15.273 -31.607 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.362 16.380 -32.848 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.962 18.057 -30.946 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.181 16.701 -29.857 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.065 17.079 -31.984 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.842 16.824 -30.265 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.179 14.545 -31.456 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.040 16.007 -30.784 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.141 14.535 -31.169 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.011 12.684 -32.053 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.252 12.660 -31.885 1.00 0.00 H new ATOM 740 N GLY A 54 -13.355 16.155 -32.579 1.00 0.00 N ATOM 741 CA GLY A 54 -14.307 15.403 -33.360 1.00 0.00 C ATOM 742 C GLY A 54 -14.457 13.959 -32.880 1.00 0.00 C ATOM 743 O GLY A 54 -15.314 13.228 -33.373 1.00 0.00 O ATOM 0 H GLY A 54 -13.763 16.683 -31.808 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.277 15.898 -33.317 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.995 15.404 -34.404 1.00 0.00 H new ATOM 747 N HIS A 55 -13.640 13.547 -31.917 1.00 0.00 N ATOM 748 CA HIS A 55 -13.692 12.196 -31.396 1.00 0.00 C ATOM 749 C HIS A 55 -14.736 12.145 -30.320 1.00 0.00 C ATOM 750 O HIS A 55 -14.749 12.993 -29.422 1.00 0.00 O ATOM 751 CB HIS A 55 -12.365 11.766 -30.761 1.00 0.00 C ATOM 752 CG HIS A 55 -11.157 11.728 -31.642 1.00 0.00 C ATOM 753 ND1 HIS A 55 -10.417 10.594 -31.860 1.00 0.00 N ATOM 754 CD2 HIS A 55 -10.502 12.726 -32.269 1.00 0.00 C ATOM 755 CE1 HIS A 55 -9.352 10.923 -32.588 1.00 0.00 C ATOM 756 NE2 HIS A 55 -9.351 12.219 -32.867 1.00 0.00 N ATOM 0 H HIS A 55 -12.931 14.138 -31.482 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.914 11.529 -32.229 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.155 12.441 -29.931 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.502 10.772 -30.336 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.820 13.757 -32.302 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.591 10.227 -32.908 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.655 12.735 -33.405 1.00 0.00 H new ATOM 764 N GLU A 56 -15.598 11.190 -30.401 1.00 0.00 N ATOM 765 CA GLU A 56 -16.621 11.018 -29.418 1.00 0.00 C ATOM 766 C GLU A 56 -16.247 9.831 -28.547 1.00 0.00 C ATOM 767 O GLU A 56 -16.205 8.693 -29.019 1.00 0.00 O ATOM 768 CB GLU A 56 -17.934 10.770 -30.122 1.00 0.00 C ATOM 769 CG GLU A 56 -18.257 11.832 -31.154 1.00 0.00 C ATOM 770 CD GLU A 56 -19.466 11.497 -31.955 1.00 0.00 C ATOM 771 OE1 GLU A 56 -19.413 10.536 -32.766 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -20.493 12.165 -31.794 1.00 0.00 O ATOM 0 H GLU A 56 -15.616 10.501 -31.153 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.721 11.906 -28.793 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.902 9.795 -30.608 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.735 10.732 -29.384 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.410 12.787 -30.652 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.405 11.956 -31.822 1.00 0.00 H new ATOM 779 N PHE A 57 -15.963 10.096 -27.308 1.00 0.00 N ATOM 780 CA PHE A 57 -15.522 9.097 -26.386 1.00 0.00 C ATOM 781 C PHE A 57 -16.621 8.832 -25.381 1.00 0.00 C ATOM 782 O PHE A 57 -17.023 9.747 -24.665 1.00 0.00 O ATOM 783 CB PHE A 57 -14.310 9.611 -25.590 1.00 0.00 C ATOM 784 CG PHE A 57 -13.168 10.196 -26.383 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.194 9.388 -26.948 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.054 11.574 -26.526 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.133 9.943 -27.644 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.005 12.129 -27.217 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.041 11.317 -27.776 1.00 0.00 C ATOM 0 H PHE A 57 -16.033 11.030 -26.903 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.263 8.199 -26.948 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.661 10.370 -24.891 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.921 8.785 -24.995 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.263 8.315 -26.845 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.802 12.218 -26.087 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.380 9.305 -28.082 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.935 13.202 -27.323 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.214 11.754 -28.317 1.00 0.00 H new ATOM 799 N GLU A 58 -17.128 7.630 -25.336 1.00 0.00 N ATOM 800 CA GLU A 58 -18.062 7.286 -24.285 1.00 0.00 C ATOM 801 C GLU A 58 -17.200 6.844 -23.110 1.00 0.00 C ATOM 802 O GLU A 58 -16.582 5.767 -23.144 1.00 0.00 O ATOM 803 CB GLU A 58 -18.978 6.142 -24.724 1.00 0.00 C ATOM 804 CG GLU A 58 -20.112 5.826 -23.752 1.00 0.00 C ATOM 805 CD GLU A 58 -21.261 6.814 -23.820 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.167 7.922 -23.270 1.00 0.00 O ATOM 807 OE2 GLU A 58 -22.314 6.469 -24.429 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.920 6.882 -25.997 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.706 8.128 -24.031 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.408 6.390 -25.694 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.375 5.244 -24.863 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.491 4.826 -23.961 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.716 5.811 -22.737 1.00 0.00 H new ATOM 814 N VAL A 59 -17.128 7.657 -22.104 1.00 0.00 N ATOM 815 CA VAL A 59 -16.218 7.411 -21.017 1.00 0.00 C ATOM 816 C VAL A 59 -16.953 7.160 -19.731 1.00 0.00 C ATOM 817 O VAL A 59 -18.099 7.585 -19.557 1.00 0.00 O ATOM 818 CB VAL A 59 -15.224 8.594 -20.796 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.444 8.902 -22.058 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.928 9.845 -20.274 1.00 0.00 C ATOM 0 H VAL A 59 -17.689 8.503 -22.007 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.653 6.523 -21.299 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.518 8.274 -20.030 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.761 9.730 -21.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.874 8.022 -22.357 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.135 9.175 -22.855 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.198 10.642 -20.135 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.682 10.165 -20.993 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.407 9.622 -19.321 1.00 0.00 H new ATOM 830 N GLU A 60 -16.297 6.477 -18.857 1.00 0.00 N ATOM 831 CA GLU A 60 -16.782 6.226 -17.538 1.00 0.00 C ATOM 832 C GLU A 60 -15.855 6.908 -16.542 1.00 0.00 C ATOM 833 O GLU A 60 -14.685 6.519 -16.399 1.00 0.00 O ATOM 834 CB GLU A 60 -16.832 4.715 -17.270 1.00 0.00 C ATOM 835 CG GLU A 60 -17.215 4.337 -15.839 1.00 0.00 C ATOM 836 CD GLU A 60 -17.244 2.844 -15.613 1.00 0.00 C ATOM 837 OE1 GLU A 60 -16.442 2.118 -16.224 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -18.090 2.364 -14.832 1.00 0.00 O ATOM 0 H GLU A 60 -15.383 6.065 -19.043 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.792 6.623 -17.433 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.547 4.261 -17.956 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.856 4.286 -17.497 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.506 4.790 -15.147 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.196 4.753 -15.609 1.00 0.00 H new ATOM 845 N ALA A 61 -16.338 7.936 -15.882 1.00 0.00 N ATOM 846 CA ALA A 61 -15.540 8.571 -14.851 1.00 0.00 C ATOM 847 C ALA A 61 -15.867 7.895 -13.554 1.00 0.00 C ATOM 848 O ALA A 61 -16.706 8.345 -12.798 1.00 0.00 O ATOM 849 CB ALA A 61 -15.766 10.071 -14.765 1.00 0.00 C ATOM 0 H ALA A 61 -17.260 8.346 -16.034 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.484 8.458 -15.094 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.141 10.488 -13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.505 10.533 -15.717 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.814 10.269 -14.541 1.00 0.00 H new ATOM 855 N LYS A 62 -15.248 6.767 -13.362 1.00 0.00 N ATOM 856 CA LYS A 62 -15.535 5.873 -12.258 1.00 0.00 C ATOM 857 C LYS A 62 -15.189 6.425 -10.877 1.00 0.00 C ATOM 858 O LYS A 62 -15.912 6.180 -9.915 1.00 0.00 O ATOM 859 CB LYS A 62 -14.823 4.536 -12.470 1.00 0.00 C ATOM 860 CG LYS A 62 -13.332 4.681 -12.711 1.00 0.00 C ATOM 861 CD LYS A 62 -12.617 3.340 -12.749 1.00 0.00 C ATOM 862 CE LYS A 62 -13.089 2.454 -13.882 1.00 0.00 C ATOM 863 NZ LYS A 62 -12.400 1.150 -13.861 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.510 6.427 -13.979 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.618 5.746 -12.263 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.983 3.905 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.273 4.023 -13.320 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.168 5.204 -13.653 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.898 5.299 -11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.545 3.508 -12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.772 2.824 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.165 2.301 -13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.906 2.950 -14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.743 0.563 -14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.375 1.297 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.595 0.669 -12.960 1.00 0.00 H new ATOM 877 N ASP A 63 -14.123 7.183 -10.776 1.00 0.00 N ATOM 878 CA ASP A 63 -13.617 7.552 -9.476 1.00 0.00 C ATOM 879 C ASP A 63 -12.976 8.928 -9.513 1.00 0.00 C ATOM 880 O ASP A 63 -12.641 9.421 -10.590 1.00 0.00 O ATOM 881 CB ASP A 63 -12.590 6.488 -9.044 1.00 0.00 C ATOM 882 CG ASP A 63 -11.998 6.736 -7.691 1.00 0.00 C ATOM 883 OD1 ASP A 63 -12.585 6.307 -6.686 1.00 0.00 O ATOM 884 OD2 ASP A 63 -10.952 7.369 -7.615 1.00 0.00 O1- ATOM 0 H ASP A 63 -13.595 7.552 -11.567 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.437 7.597 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.071 5.510 -9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.787 6.451 -9.781 1.00 0.00 H new ATOM 889 N GLN A 64 -12.768 9.512 -8.327 1.00 0.00 N ATOM 890 CA GLN A 64 -12.168 10.840 -8.142 1.00 0.00 C ATOM 891 C GLN A 64 -10.695 10.884 -8.590 1.00 0.00 C ATOM 892 O GLN A 64 -10.077 11.957 -8.678 1.00 0.00 O ATOM 893 CB GLN A 64 -12.367 11.318 -6.674 1.00 0.00 C ATOM 894 CG GLN A 64 -11.851 10.367 -5.562 1.00 0.00 C ATOM 895 CD GLN A 64 -10.331 10.349 -5.364 1.00 0.00 C ATOM 896 OE1 GLN A 64 -9.754 9.333 -4.986 1.00 0.00 O ATOM 897 NE2 GLN A 64 -9.688 11.476 -5.557 1.00 0.00 N ATOM 0 H GLN A 64 -13.019 9.063 -7.446 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.688 11.543 -8.793 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.869 12.281 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.431 11.488 -6.511 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.320 10.650 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.182 9.354 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.194 12.304 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.682 11.524 -5.393 1.00 0.00 H new ATOM 906 N ASN A 65 -10.136 9.708 -8.851 1.00 0.00 N ATOM 907 CA ASN A 65 -8.798 9.578 -9.417 1.00 0.00 C ATOM 908 C ASN A 65 -8.822 10.107 -10.869 1.00 0.00 C ATOM 909 O ASN A 65 -7.786 10.444 -11.455 1.00 0.00 O ATOM 910 CB ASN A 65 -8.352 8.092 -9.365 1.00 0.00 C ATOM 911 CG ASN A 65 -6.929 7.841 -9.852 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.060 8.703 -9.758 1.00 0.00 O ATOM 913 ND2 ASN A 65 -6.673 6.648 -10.335 1.00 0.00 N ATOM 0 H ASN A 65 -10.598 8.816 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.080 10.163 -8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.439 7.735 -8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.039 7.498 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.730 6.415 -10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.417 5.954 -10.400 1.00 0.00 H new ATOM 920 N CYS A 66 -10.042 10.184 -11.424 1.00 0.00 N ATOM 921 CA CYS A 66 -10.313 10.721 -12.755 1.00 0.00 C ATOM 922 C CYS A 66 -9.530 10.001 -13.842 1.00 0.00 C ATOM 923 O CYS A 66 -9.094 10.598 -14.833 1.00 0.00 O ATOM 924 CB CYS A 66 -10.078 12.236 -12.796 1.00 0.00 C ATOM 925 SG CYS A 66 -11.155 13.189 -11.662 1.00 0.00 S ATOM 0 H CYS A 66 -10.883 9.865 -10.943 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.367 10.540 -12.965 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.036 12.438 -12.547 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.237 12.590 -13.815 1.00 0.00 H new ATOM 930 N LYS A 67 -9.353 8.714 -13.656 1.00 0.00 N ATOM 931 CA LYS A 67 -8.748 7.894 -14.668 1.00 0.00 C ATOM 932 C LYS A 67 -9.786 7.489 -15.649 1.00 0.00 C ATOM 933 O LYS A 67 -10.592 6.585 -15.418 1.00 0.00 O ATOM 934 CB LYS A 67 -7.944 6.731 -14.095 1.00 0.00 C ATOM 935 CG LYS A 67 -6.417 6.924 -13.925 1.00 0.00 C ATOM 936 CD LYS A 67 -6.044 8.290 -13.375 1.00 0.00 C ATOM 937 CE LYS A 67 -5.691 9.216 -14.506 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.671 10.637 -14.110 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.622 8.215 -12.808 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.998 8.481 -15.198 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.361 6.484 -13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.103 5.865 -14.738 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.032 6.153 -13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.930 6.783 -14.890 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.876 8.701 -12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.200 8.199 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.712 8.942 -14.900 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.409 9.081 -15.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.422 11.223 -14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.611 10.913 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.967 10.778 -13.358 1.00 0.00 H new ATOM 952 N VAL A 68 -9.809 8.259 -16.686 1.00 0.00 N ATOM 953 CA VAL A 68 -10.738 8.139 -17.747 1.00 0.00 C ATOM 954 C VAL A 68 -10.525 6.870 -18.559 1.00 0.00 C ATOM 955 O VAL A 68 -9.485 6.666 -19.221 1.00 0.00 O ATOM 956 CB VAL A 68 -10.728 9.407 -18.640 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.320 9.770 -19.098 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.670 9.255 -19.821 1.00 0.00 C ATOM 0 H VAL A 68 -9.147 9.024 -16.817 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.730 8.055 -17.303 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.089 10.234 -18.029 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.359 10.664 -19.721 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.692 9.961 -18.228 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.901 8.945 -19.673 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.641 10.160 -20.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.361 8.402 -20.425 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.685 9.094 -19.458 1.00 0.00 H new ATOM 968 N ILE A 69 -11.484 6.008 -18.452 1.00 0.00 N ATOM 969 CA ILE A 69 -11.506 4.788 -19.174 1.00 0.00 C ATOM 970 C ILE A 69 -12.836 4.730 -19.876 1.00 0.00 C ATOM 971 O ILE A 69 -13.877 5.071 -19.297 1.00 0.00 O ATOM 972 CB ILE A 69 -11.337 3.562 -18.229 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.028 3.695 -17.446 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.324 2.265 -19.035 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.867 2.711 -16.305 1.00 0.00 C ATOM 0 H ILE A 69 -12.292 6.141 -17.843 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.678 4.750 -19.882 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.177 3.534 -17.535 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.194 3.569 -18.136 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.961 4.707 -17.047 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.205 1.418 -18.359 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.263 2.166 -19.580 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.495 2.284 -19.742 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.911 2.881 -15.810 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.677 2.849 -15.588 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.897 1.694 -16.695 1.00 0.00 H new ATOM 987 N LEU A 70 -12.807 4.361 -21.103 1.00 0.00 N ATOM 988 CA LEU A 70 -13.987 4.270 -21.886 1.00 0.00 C ATOM 989 C LEU A 70 -14.675 2.983 -21.606 1.00 0.00 C ATOM 990 O LEU A 70 -14.055 2.001 -21.195 1.00 0.00 O ATOM 991 CB LEU A 70 -13.730 4.401 -23.393 1.00 0.00 C ATOM 992 CG LEU A 70 -13.356 5.781 -23.969 1.00 0.00 C ATOM 993 CD1 LEU A 70 -12.001 6.264 -23.480 1.00 0.00 C ATOM 994 CD2 LEU A 70 -13.388 5.734 -25.487 1.00 0.00 C ATOM 0 H LEU A 70 -11.953 4.110 -21.600 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.617 5.113 -21.601 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.929 3.708 -23.652 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.627 4.060 -23.911 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.096 6.497 -23.611 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.784 7.240 -23.914 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.014 6.345 -22.393 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.231 5.554 -23.781 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.123 6.713 -25.887 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.675 4.991 -25.843 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.390 5.465 -25.822 1.00 0.00 H new ATOM 1006 N THR A 71 -15.920 2.971 -21.900 1.00 0.00 N ATOM 1007 CA THR A 71 -16.797 1.850 -21.656 1.00 0.00 C ATOM 1008 C THR A 71 -16.421 0.656 -22.529 1.00 0.00 C ATOM 1009 O THR A 71 -16.711 -0.495 -22.211 1.00 0.00 O ATOM 1010 CB THR A 71 -18.220 2.290 -21.953 1.00 0.00 C ATOM 1011 OG1 THR A 71 -18.203 3.023 -23.191 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.753 3.184 -20.845 1.00 0.00 C ATOM 0 H THR A 71 -16.391 3.764 -22.335 1.00 0.00 H new ATOM 0 HA THR A 71 -16.705 1.535 -20.617 1.00 0.00 H new ATOM 0 HB THR A 71 -18.867 1.416 -22.022 1.00 0.00 H new ATOM 0 HG1 THR A 71 -19.123 3.181 -23.491 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.773 3.486 -21.080 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.745 2.638 -19.901 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.124 4.070 -20.757 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.728 0.948 -23.612 1.00 0.00 N ATOM 1021 CA ASN A 72 -15.269 -0.066 -24.548 1.00 0.00 C ATOM 1022 C ASN A 72 -14.032 -0.772 -24.026 1.00 0.00 C ATOM 1023 O ASN A 72 -13.511 -1.671 -24.677 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.954 0.542 -25.922 1.00 0.00 C ATOM 1025 CG ASN A 72 -16.157 1.130 -26.618 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -16.885 0.428 -27.317 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -16.346 2.423 -26.491 1.00 0.00 N ATOM 0 H ASN A 72 -15.465 1.899 -23.871 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.079 -0.787 -24.655 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.200 1.320 -25.801 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.518 -0.228 -26.558 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.117 2.876 -26.981 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.722 2.974 -25.902 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.543 -0.340 -22.873 1.00 0.00 N ATOM 1035 CA GLY A 73 -12.375 -0.942 -22.299 1.00 0.00 C ATOM 1036 C GLY A 73 -11.153 -0.299 -22.850 1.00 0.00 C ATOM 1037 O GLY A 73 -10.080 -0.877 -22.863 1.00 0.00 O ATOM 0 H GLY A 73 -13.943 0.423 -22.327 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.396 -0.835 -21.214 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.363 -2.011 -22.514 1.00 0.00 H new ATOM 1041 N LYS A 74 -11.321 0.907 -23.342 1.00 0.00 N ATOM 1042 CA LYS A 74 -10.246 1.622 -23.937 1.00 0.00 C ATOM 1043 C LYS A 74 -9.863 2.757 -23.044 1.00 0.00 C ATOM 1044 O LYS A 74 -10.693 3.270 -22.310 1.00 0.00 O ATOM 1045 CB LYS A 74 -10.644 2.151 -25.310 1.00 0.00 C ATOM 1046 CG LYS A 74 -11.163 1.098 -26.281 1.00 0.00 C ATOM 1047 CD LYS A 74 -10.177 -0.039 -26.499 1.00 0.00 C ATOM 1048 CE LYS A 74 -10.727 -1.058 -27.492 1.00 0.00 C ATOM 1049 NZ LYS A 74 -10.897 -0.479 -28.842 1.00 0.00 N1+ ATOM 0 H LYS A 74 -12.210 1.408 -23.335 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.398 0.949 -24.066 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.412 2.913 -25.180 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.780 2.642 -25.758 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.101 0.692 -25.902 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.384 1.570 -27.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.232 0.360 -26.868 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.966 -0.529 -25.549 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.052 -1.912 -27.546 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.686 -1.432 -27.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.041 -1.244 -29.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.723 0.153 -28.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.046 0.062 -29.098 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.636 3.134 -23.084 1.00 0.00 N ATOM 1064 CA GLN A 75 -8.166 4.220 -22.278 1.00 0.00 C ATOM 1065 C GLN A 75 -8.084 5.470 -23.124 1.00 0.00 C ATOM 1066 O GLN A 75 -7.780 5.409 -24.325 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.826 3.880 -21.627 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.889 2.607 -20.790 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.616 2.312 -20.030 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -4.513 2.677 -20.448 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -5.755 1.641 -18.921 1.00 0.00 N ATOM 0 H GLN A 75 -7.924 2.704 -23.674 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.870 4.400 -21.465 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.068 3.764 -22.402 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.511 4.711 -20.995 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.713 2.690 -20.081 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.114 1.764 -21.444 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.684 1.358 -18.609 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.935 1.399 -18.365 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.398 6.573 -22.522 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.434 7.832 -23.198 1.00 0.00 C ATOM 1082 C ALA A 76 -7.045 8.459 -23.293 1.00 0.00 C ATOM 1083 O ALA A 76 -6.169 8.179 -22.453 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.405 8.758 -22.497 1.00 0.00 C ATOM 0 H ALA A 76 -8.640 6.626 -21.533 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.777 7.667 -24.219 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.431 9.717 -23.014 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.401 8.315 -22.505 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.084 8.910 -21.467 1.00 0.00 H new ATOM 1090 N PRO A 77 -6.836 9.305 -24.321 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.559 9.963 -24.567 1.00 0.00 C ATOM 1092 C PRO A 77 -5.160 10.927 -23.462 1.00 0.00 C ATOM 1093 O PRO A 77 -6.004 11.462 -22.750 1.00 0.00 O ATOM 1094 CB PRO A 77 -5.764 10.722 -25.867 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.223 10.707 -26.166 1.00 0.00 C ATOM 1096 CD PRO A 77 -7.858 9.669 -25.312 1.00 0.00 C ATOM 0 HA PRO A 77 -4.754 9.229 -24.610 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.402 11.746 -25.775 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.202 10.256 -26.676 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.662 11.685 -25.967 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.393 10.489 -27.220 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.756 10.053 -24.828 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.159 8.804 -25.903 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.870 11.174 -23.374 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.268 12.004 -22.328 1.00 0.00 C ATOM 1106 C ASP A 78 -3.697 13.434 -22.440 1.00 0.00 C ATOM 1107 O ASP A 78 -3.802 14.139 -21.439 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.745 11.937 -22.393 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.229 10.546 -22.233 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -1.162 10.057 -21.096 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.909 9.897 -23.255 1.00 0.00 O ATOM 0 H ASP A 78 -3.189 10.801 -24.036 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.613 11.608 -21.373 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.407 12.339 -23.348 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.323 12.570 -21.613 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.959 13.863 -23.668 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.383 15.219 -23.926 1.00 0.00 C ATOM 1118 C TRP A 79 -5.807 15.452 -23.446 1.00 0.00 C ATOM 1119 O TRP A 79 -6.257 16.576 -23.362 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.196 15.599 -25.409 1.00 0.00 C ATOM 1121 CG TRP A 79 -4.911 14.729 -26.388 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.387 13.684 -27.053 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.272 14.844 -26.824 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.323 13.129 -27.881 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.494 13.820 -27.752 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.321 15.709 -26.511 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -7.719 13.632 -28.376 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.533 15.523 -27.128 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -8.728 14.490 -28.051 1.00 0.00 C ATOM 0 H TRP A 79 -3.882 13.281 -24.502 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.740 15.884 -23.350 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.532 16.626 -25.548 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.131 15.578 -25.640 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.371 13.333 -26.948 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.171 12.329 -28.495 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.182 16.508 -25.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.868 12.837 -29.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.352 16.187 -26.896 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.696 14.370 -28.515 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.512 14.387 -23.148 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.809 14.508 -22.581 1.00 0.00 C ATOM 1142 C LEU A 80 -7.600 14.568 -21.084 1.00 0.00 C ATOM 1143 O LEU A 80 -7.272 13.563 -20.441 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.710 13.328 -22.977 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.158 13.417 -22.486 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.841 14.665 -23.026 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.941 12.173 -22.868 1.00 0.00 C ATOM 0 H LEU A 80 -6.197 13.428 -23.294 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.319 15.400 -22.946 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.717 13.246 -24.064 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.268 12.409 -22.591 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.136 13.484 -21.398 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.868 14.704 -22.662 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.302 15.550 -22.687 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.843 14.636 -24.116 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.966 12.263 -22.507 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.946 12.065 -23.953 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.474 11.297 -22.419 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.735 15.731 -20.543 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.403 15.954 -19.170 1.00 0.00 C ATOM 1161 C ALA A 81 -8.634 15.940 -18.329 1.00 0.00 C ATOM 1162 O ALA A 81 -9.696 16.340 -18.779 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.655 17.267 -19.006 1.00 0.00 C ATOM 0 H ALA A 81 -8.078 16.555 -21.036 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.750 15.147 -18.837 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.412 17.418 -17.954 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.736 17.237 -19.591 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.281 18.088 -19.355 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.496 15.443 -17.137 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.575 15.392 -16.193 1.00 0.00 C ATOM 1171 C ALA A 82 -9.079 15.794 -14.824 1.00 0.00 C ATOM 1172 O ALA A 82 -8.055 15.287 -14.351 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.183 14.002 -16.144 1.00 0.00 C ATOM 0 H ALA A 82 -7.620 15.056 -16.787 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.349 16.091 -16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.999 13.987 -15.422 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.566 13.737 -17.130 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.421 13.282 -15.846 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.777 16.705 -14.210 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.457 17.174 -12.894 1.00 0.00 C ATOM 1181 C GLU A 83 -10.642 16.888 -11.995 1.00 0.00 C ATOM 1182 O GLU A 83 -11.790 17.077 -12.417 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.181 18.680 -12.893 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.087 19.138 -13.841 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.813 20.611 -13.702 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.742 21.421 -13.878 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -6.675 20.991 -13.352 1.00 0.00 O ATOM 0 H GLU A 83 -10.599 17.150 -14.618 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.560 16.666 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.103 19.202 -13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.913 18.983 -11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.174 18.577 -13.641 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.379 18.917 -14.868 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.402 16.399 -10.782 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.459 16.106 -9.821 1.00 0.00 C ATOM 1196 C PRO A 84 -12.151 17.389 -9.403 1.00 0.00 C ATOM 1197 O PRO A 84 -11.489 18.378 -9.046 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.687 15.489 -8.646 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.319 16.020 -8.783 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.081 16.067 -10.243 1.00 0.00 C ATOM 0 HA PRO A 84 -12.241 15.452 -10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.128 15.771 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.697 14.400 -8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.231 17.010 -8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.593 15.379 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.337 16.819 -10.507 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.718 15.112 -10.624 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.445 17.408 -9.477 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.154 18.593 -9.177 1.00 0.00 C ATOM 1210 C TYR A 85 -14.760 18.516 -7.791 1.00 0.00 C ATOM 1211 O TYR A 85 -15.829 17.881 -7.622 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.209 18.891 -10.225 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.656 20.327 -10.205 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.835 21.319 -10.727 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.879 20.701 -9.679 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.215 22.635 -10.723 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.267 22.024 -9.671 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.430 22.984 -10.197 1.00 0.00 C ATOM 1219 OH TYR A 85 -16.815 24.300 -10.197 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.177 19.107 -6.848 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.024 16.612 -9.743 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.445 19.420 -9.191 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.813 18.651 -11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.071 18.244 -10.062 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.877 21.047 -11.145 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.537 19.949 -9.270 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.561 23.391 -11.132 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.222 22.307 -9.254 1.00 0.00 H new ATOM 0 HH TYR A 85 -17.703 24.381 -9.790 1.00 0.00 H new TER 1230 TYR A 85