USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-4.6!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 77:sc= 1.08 USER MOD Single : A 28 SER OG : rot 54:sc= 1.24 USER MOD Single : A 32 CYS SG : rot -54:sc= -0.53 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 131:sc= 0.863 USER MOD Single : A 42 THR OG1 : rot -25:sc= 1.22 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 47 SER OG : rot 66:sc= 0.713 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1.3) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.987 X(o=-0.99,f=-0.75) USER MOD Single : A 59 GLN : amide:sc= 1.44 K(o=1.4,f=-0.023) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 72:sc= 0.135 USER MOD Single : A 70 HIS : no HE2:sc= 0.579 K(o=0.58,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -120:sc= -1.04 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 93 GLN : amide:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 96 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 98 GLN : amide:sc= 0.414 K(o=0.41,f=-1.2) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 45:sc= 0.0334 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 5.037 -19.356 -10.347 1.00 1.00 N ATOM 18 CA ASN A 2 3.996 -18.413 -10.079 1.00 1.00 C ATOM 19 C ASN A 2 4.427 -17.348 -9.130 1.00 1.00 C ATOM 20 O ASN A 2 4.269 -16.154 -9.383 1.00 1.00 O ATOM 21 CB ASN A 2 2.741 -19.116 -9.535 1.00 1.00 C ATOM 22 CG ASN A 2 2.159 -20.085 -10.553 1.00 1.00 C ATOM 23 OD1 ASN A 2 1.333 -19.718 -11.387 1.00 1.00 O ATOM 24 ND2 ASN A 2 2.589 -21.374 -10.513 1.00 1.00 N ATOM 0 HA ASN A 2 3.758 -17.937 -11.030 1.00 1.00 H new ATOM 0 HB2 ASN A 2 2.992 -19.654 -8.621 1.00 1.00 H new ATOM 0 HB3 ASN A 2 1.991 -18.371 -9.271 1.00 1.00 H new ATOM 0 HD21 ASN A 2 2.226 -22.054 -11.181 1.00 1.00 H new ATOM 0 HD22 ASN A 2 3.275 -21.661 -9.815 1.00 1.00 H new ATOM 31 N ASP A 3 5.035 -17.749 -7.999 1.00 1.00 N ATOM 32 CA ASP A 3 5.655 -16.914 -7.017 1.00 1.00 C ATOM 33 C ASP A 3 6.731 -16.040 -7.562 1.00 1.00 C ATOM 34 O ASP A 3 6.724 -14.827 -7.358 1.00 1.00 O ATOM 35 CB ASP A 3 6.157 -17.765 -5.838 1.00 1.00 C ATOM 36 CG ASP A 3 6.614 -19.157 -6.249 1.00 1.00 C ATOM 37 OD1 ASP A 3 5.735 -20.036 -6.454 1.00 1.00 O ATOM 38 OD2 ASP A 3 7.848 -19.380 -6.360 1.00 1.00 O ATOM 0 H ASP A 3 5.097 -18.737 -7.753 1.00 1.00 H new ATOM 0 HA ASP A 3 4.887 -16.227 -6.660 1.00 1.00 H new ATOM 0 HB2 ASP A 3 6.984 -17.248 -5.352 1.00 1.00 H new ATOM 0 HB3 ASP A 3 5.360 -17.855 -5.100 1.00 1.00 H new ATOM 43 N SER A 4 7.664 -16.619 -8.339 1.00 1.00 N ATOM 44 CA SER A 4 8.683 -15.933 -9.073 1.00 1.00 C ATOM 45 C SER A 4 8.176 -14.819 -9.921 1.00 1.00 C ATOM 46 O SER A 4 8.634 -13.682 -9.816 1.00 1.00 O ATOM 47 CB SER A 4 9.474 -16.908 -9.961 1.00 1.00 C ATOM 48 OG SER A 4 10.577 -16.305 -10.622 1.00 1.00 O ATOM 0 H SER A 4 7.709 -17.631 -8.462 1.00 1.00 H new ATOM 0 HA SER A 4 9.329 -15.495 -8.312 1.00 1.00 H new ATOM 0 HB2 SER A 4 9.835 -17.734 -9.348 1.00 1.00 H new ATOM 0 HB3 SER A 4 8.803 -17.334 -10.706 1.00 1.00 H new ATOM 0 HG SER A 4 11.038 -16.976 -11.168 1.00 1.00 H new ATOM 54 N GLU A 5 7.178 -15.106 -10.776 1.00 1.00 N ATOM 55 CA GLU A 5 6.590 -14.172 -11.687 1.00 1.00 C ATOM 56 C GLU A 5 5.913 -13.023 -11.023 1.00 1.00 C ATOM 57 O GLU A 5 6.224 -11.866 -11.303 1.00 1.00 O ATOM 58 CB GLU A 5 5.633 -14.907 -12.640 1.00 1.00 C ATOM 59 CG GLU A 5 5.188 -14.045 -13.822 1.00 1.00 C ATOM 60 CD GLU A 5 4.546 -14.827 -14.959 1.00 1.00 C ATOM 61 OE1 GLU A 5 4.798 -16.051 -15.125 1.00 1.00 O ATOM 62 OE2 GLU A 5 3.788 -14.195 -15.743 1.00 1.00 O ATOM 0 H GLU A 5 6.761 -16.035 -10.835 1.00 1.00 H new ATOM 0 HA GLU A 5 7.408 -13.730 -12.255 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.123 -15.805 -13.016 1.00 1.00 H new ATOM 0 HB3 GLU A 5 4.754 -15.233 -12.084 1.00 1.00 H new ATOM 0 HG2 GLU A 5 4.480 -13.297 -13.465 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.052 -13.506 -14.210 1.00 1.00 H new ATOM 69 N PHE A 6 4.998 -13.276 -10.071 1.00 1.00 N ATOM 70 CA PHE A 6 4.317 -12.240 -9.358 1.00 1.00 C ATOM 71 C PHE A 6 5.205 -11.380 -8.527 1.00 1.00 C ATOM 72 O PHE A 6 4.992 -10.171 -8.441 1.00 1.00 O ATOM 73 CB PHE A 6 3.163 -12.820 -8.521 1.00 1.00 C ATOM 74 CG PHE A 6 1.835 -12.437 -9.077 1.00 1.00 C ATOM 75 CD1 PHE A 6 1.544 -12.584 -10.412 1.00 1.00 C ATOM 76 CD2 PHE A 6 0.870 -11.918 -8.244 1.00 1.00 C ATOM 77 CE1 PHE A 6 0.312 -12.232 -10.914 1.00 1.00 C ATOM 78 CE2 PHE A 6 -0.364 -11.560 -8.735 1.00 1.00 C ATOM 79 CZ PHE A 6 -0.647 -11.721 -10.071 1.00 1.00 C ATOM 0 H PHE A 6 4.726 -14.218 -9.791 1.00 1.00 H new ATOM 0 HA PHE A 6 3.909 -11.577 -10.121 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.245 -13.906 -8.490 1.00 1.00 H new ATOM 0 HB3 PHE A 6 3.244 -12.465 -7.494 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.295 -12.982 -11.078 1.00 1.00 H new ATOM 0 HD2 PHE A 6 1.084 -11.790 -7.193 1.00 1.00 H new ATOM 0 HE1 PHE A 6 0.099 -12.356 -11.965 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -1.111 -11.152 -8.071 1.00 1.00 H new ATOM 0 HZ PHE A 6 -1.618 -11.447 -10.457 1.00 1.00 H new ATOM 89 N HIS A 7 6.270 -11.924 -7.914 1.00 1.00 N ATOM 90 CA HIS A 7 7.268 -11.172 -7.218 1.00 1.00 C ATOM 91 C HIS A 7 8.084 -10.294 -8.102 1.00 1.00 C ATOM 92 O HIS A 7 8.395 -9.169 -7.714 1.00 1.00 O ATOM 93 CB HIS A 7 8.165 -12.102 -6.382 1.00 1.00 C ATOM 94 CG HIS A 7 8.911 -11.355 -5.316 1.00 1.00 C ATOM 95 ND1 HIS A 7 9.669 -11.935 -4.334 1.00 1.00 N ATOM 96 CD2 HIS A 7 8.891 -10.021 -5.052 1.00 1.00 C ATOM 97 CE1 HIS A 7 10.123 -10.996 -3.526 1.00 1.00 C ATOM 98 NE2 HIS A 7 9.663 -9.829 -3.937 1.00 1.00 N ATOM 0 H HIS A 7 6.444 -12.929 -7.902 1.00 1.00 H new ATOM 0 HA HIS A 7 6.729 -10.500 -6.550 1.00 1.00 H new ATOM 0 HB2 HIS A 7 7.553 -12.877 -5.921 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.876 -12.605 -7.037 1.00 1.00 H new ATOM 0 HD1 HIS A 7 9.853 -12.934 -4.242 1.00 1.00 H new ATOM 0 HD2 HIS A 7 8.368 -9.261 -5.613 1.00 1.00 H new ATOM 0 HE1 HIS A 7 10.764 -11.155 -2.671 1.00 1.00 H new ATOM 106 N ARG A 8 8.446 -10.707 -9.329 1.00 1.00 N ATOM 107 CA ARG A 8 9.152 -9.873 -10.252 1.00 1.00 C ATOM 108 C ARG A 8 8.342 -8.735 -10.771 1.00 1.00 C ATOM 109 O ARG A 8 8.808 -7.598 -10.795 1.00 1.00 O ATOM 110 CB ARG A 8 9.768 -10.695 -11.397 1.00 1.00 C ATOM 111 CG ARG A 8 11.266 -10.924 -11.188 1.00 1.00 C ATOM 112 CD ARG A 8 12.154 -9.753 -11.618 1.00 1.00 C ATOM 113 NE ARG A 8 12.389 -9.888 -13.082 1.00 1.00 N ATOM 114 CZ ARG A 8 13.318 -9.154 -13.762 1.00 1.00 C ATOM 115 NH1 ARG A 8 13.864 -8.015 -13.247 1.00 1.00 N ATOM 116 NH2 ARG A 8 13.754 -9.585 -14.982 1.00 1.00 N ATOM 0 H ARG A 8 8.244 -11.640 -9.688 1.00 1.00 H new ATOM 0 HA ARG A 8 9.964 -9.422 -9.682 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.260 -11.656 -11.469 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.608 -10.178 -12.343 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.445 -11.131 -10.133 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.566 -11.813 -11.743 1.00 1.00 H new ATOM 0 HD2 ARG A 8 11.671 -8.802 -11.393 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.099 -9.768 -11.074 1.00 1.00 H new ATOM 0 HE ARG A 8 11.828 -10.562 -13.603 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.581 -7.686 -12.324 1.00 1.00 H new ATOM 0 HH12 ARG A 8 14.556 -7.493 -13.785 1.00 1.00 H new ATOM 0 HH21 ARG A 8 13.386 -10.449 -15.379 1.00 1.00 H new ATOM 0 HH22 ARG A 8 14.448 -9.042 -15.496 1.00 1.00 H new ATOM 130 N LEU A 9 7.072 -8.970 -11.146 1.00 1.00 N ATOM 131 CA LEU A 9 6.131 -7.957 -11.511 1.00 1.00 C ATOM 132 C LEU A 9 5.943 -6.938 -10.439 1.00 1.00 C ATOM 133 O LEU A 9 6.006 -5.733 -10.679 1.00 1.00 O ATOM 134 CB LEU A 9 4.779 -8.612 -11.837 1.00 1.00 C ATOM 135 CG LEU A 9 4.767 -9.458 -13.121 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.510 -10.346 -13.156 1.00 1.00 C ATOM 137 CD2 LEU A 9 4.834 -8.587 -14.387 1.00 1.00 C ATOM 0 H LEU A 9 6.683 -9.911 -11.197 1.00 1.00 H new ATOM 0 HA LEU A 9 6.529 -7.440 -12.384 1.00 1.00 H new ATOM 0 HB2 LEU A 9 4.486 -9.244 -10.999 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.024 -7.831 -11.926 1.00 1.00 H new ATOM 0 HG LEU A 9 5.658 -10.086 -13.108 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.510 -10.941 -14.069 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.509 -11.009 -12.291 1.00 1.00 H new ATOM 0 HD13 LEU A 9 2.620 -9.717 -13.133 1.00 1.00 H new ATOM 0 HD21 LEU A 9 4.823 -9.227 -15.270 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.975 -7.917 -14.414 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.752 -7.999 -14.376 1.00 1.00 H new ATOM 149 N ALA A 10 5.773 -7.407 -9.191 1.00 1.00 N ATOM 150 CA ALA A 10 5.750 -6.592 -8.016 1.00 1.00 C ATOM 151 C ALA A 10 6.955 -5.727 -7.869 1.00 1.00 C ATOM 152 O ALA A 10 6.814 -4.507 -7.807 1.00 1.00 O ATOM 153 CB ALA A 10 5.592 -7.431 -6.736 1.00 1.00 C ATOM 0 H ALA A 10 5.646 -8.399 -8.991 1.00 1.00 H new ATOM 0 HA ALA A 10 4.881 -5.948 -8.147 1.00 1.00 H new ATOM 0 HB1 ALA A 10 5.579 -6.772 -5.868 1.00 1.00 H new ATOM 0 HB2 ALA A 10 4.657 -7.990 -6.781 1.00 1.00 H new ATOM 0 HB3 ALA A 10 6.427 -8.126 -6.651 1.00 1.00 H new ATOM 159 N ASP A 11 8.173 -6.297 -7.872 1.00 1.00 N ATOM 160 CA ASP A 11 9.429 -5.620 -7.777 1.00 1.00 C ATOM 161 C ASP A 11 9.547 -4.430 -8.665 1.00 1.00 C ATOM 162 O ASP A 11 9.903 -3.334 -8.232 1.00 1.00 O ATOM 163 CB ASP A 11 10.534 -6.646 -8.079 1.00 1.00 C ATOM 164 CG ASP A 11 11.900 -6.190 -7.586 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.061 -6.002 -6.350 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.808 -6.009 -8.441 1.00 1.00 O ATOM 0 H ASP A 11 8.287 -7.308 -7.947 1.00 1.00 H new ATOM 0 HA ASP A 11 9.524 -5.219 -6.768 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.281 -7.597 -7.611 1.00 1.00 H new ATOM 0 HB3 ASP A 11 10.579 -6.822 -9.154 1.00 1.00 H new ATOM 171 N GLN A 12 9.179 -4.602 -9.948 1.00 1.00 N ATOM 172 CA GLN A 12 9.082 -3.555 -10.917 1.00 1.00 C ATOM 173 C GLN A 12 8.187 -2.429 -10.524 1.00 1.00 C ATOM 174 O GLN A 12 8.603 -1.277 -10.414 1.00 1.00 O ATOM 175 CB GLN A 12 8.624 -4.110 -12.275 1.00 1.00 C ATOM 176 CG GLN A 12 9.529 -5.183 -12.887 1.00 1.00 C ATOM 177 CD GLN A 12 10.798 -4.626 -13.515 1.00 1.00 C ATOM 178 OE1 GLN A 12 11.860 -4.576 -12.897 1.00 1.00 O ATOM 179 NE2 GLN A 12 10.697 -4.237 -14.814 1.00 1.00 N ATOM 0 H GLN A 12 8.937 -5.517 -10.328 1.00 1.00 H new ATOM 0 HA GLN A 12 10.089 -3.145 -10.987 1.00 1.00 H new ATOM 0 HB2 GLN A 12 7.623 -4.526 -12.159 1.00 1.00 H new ATOM 0 HB3 GLN A 12 8.545 -3.281 -12.979 1.00 1.00 H new ATOM 0 HG2 GLN A 12 9.802 -5.901 -12.113 1.00 1.00 H new ATOM 0 HG3 GLN A 12 8.968 -5.730 -13.645 1.00 1.00 H new ATOM 0 HE21 GLN A 12 9.799 -4.293 -15.295 1.00 1.00 H new ATOM 0 HE22 GLN A 12 11.519 -3.890 -15.308 1.00 1.00 H new ATOM 188 N LEU A 13 6.890 -2.699 -10.294 1.00 1.00 N ATOM 189 CA LEU A 13 5.937 -1.673 -10.005 1.00 1.00 C ATOM 190 C LEU A 13 5.997 -1.072 -8.644 1.00 1.00 C ATOM 191 O LEU A 13 5.859 0.142 -8.499 1.00 1.00 O ATOM 192 CB LEU A 13 4.526 -2.141 -10.403 1.00 1.00 C ATOM 193 CG LEU A 13 3.877 -3.318 -9.657 1.00 1.00 C ATOM 194 CD1 LEU A 13 2.871 -2.810 -8.610 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.139 -4.247 -10.635 1.00 1.00 C ATOM 0 H LEU A 13 6.498 -3.640 -10.309 1.00 1.00 H new ATOM 0 HA LEU A 13 6.225 -0.825 -10.627 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.859 -1.285 -10.304 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.555 -2.402 -11.461 1.00 1.00 H new ATOM 0 HG LEU A 13 4.676 -3.870 -9.162 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.423 -3.659 -8.094 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.386 -2.177 -7.888 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.090 -2.234 -9.106 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.688 -5.072 -10.083 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.359 -3.687 -11.151 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.846 -4.642 -11.365 1.00 1.00 H new ATOM 207 N TRP A 14 6.274 -1.863 -7.592 1.00 1.00 N ATOM 208 CA TRP A 14 6.538 -1.466 -6.243 1.00 1.00 C ATOM 209 C TRP A 14 7.661 -0.491 -6.155 1.00 1.00 C ATOM 210 O TRP A 14 7.531 0.555 -5.520 1.00 1.00 O ATOM 211 CB TRP A 14 6.843 -2.670 -5.335 1.00 1.00 C ATOM 212 CG TRP A 14 5.667 -3.549 -4.984 1.00 1.00 C ATOM 213 CD1 TRP A 14 4.629 -3.955 -5.771 1.00 1.00 C ATOM 214 CD2 TRP A 14 5.403 -4.099 -3.679 1.00 1.00 C ATOM 215 NE1 TRP A 14 3.708 -4.659 -5.040 1.00 1.00 N ATOM 216 CE2 TRP A 14 4.167 -4.754 -3.748 1.00 1.00 C ATOM 217 CE3 TRP A 14 6.109 -4.062 -2.507 1.00 1.00 C ATOM 218 CZ2 TRP A 14 3.623 -5.348 -2.641 1.00 1.00 C ATOM 219 CZ3 TRP A 14 5.552 -4.659 -1.401 1.00 1.00 C ATOM 220 CH2 TRP A 14 4.327 -5.280 -1.462 1.00 1.00 C ATOM 0 H TRP A 14 6.317 -2.877 -7.698 1.00 1.00 H new ATOM 0 HA TRP A 14 5.625 -0.984 -5.894 1.00 1.00 H new ATOM 0 HB2 TRP A 14 7.598 -3.286 -5.823 1.00 1.00 H new ATOM 0 HB3 TRP A 14 7.283 -2.299 -4.409 1.00 1.00 H new ATOM 0 HD1 TRP A 14 4.545 -3.749 -6.828 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.833 -5.046 -5.394 1.00 1.00 H new ATOM 0 HE3 TRP A 14 7.073 -3.579 -2.453 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.670 -5.854 -2.692 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 6.088 -4.640 -0.464 1.00 1.00 H new ATOM 0 HH2 TRP A 14 3.911 -5.722 -0.569 1.00 1.00 H new ATOM 231 N LEU A 15 8.792 -0.754 -6.836 1.00 1.00 N ATOM 232 CA LEU A 15 9.864 0.185 -6.954 1.00 1.00 C ATOM 233 C LEU A 15 9.464 1.463 -7.606 1.00 1.00 C ATOM 234 O LEU A 15 9.762 2.552 -7.117 1.00 1.00 O ATOM 235 CB LEU A 15 11.028 -0.445 -7.738 1.00 1.00 C ATOM 236 CG LEU A 15 12.292 0.424 -7.872 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.877 0.810 -6.505 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.358 -0.312 -8.701 1.00 1.00 C ATOM 0 H LEU A 15 8.965 -1.638 -7.315 1.00 1.00 H new ATOM 0 HA LEU A 15 10.171 0.430 -5.937 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.303 -1.382 -7.253 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.674 -0.696 -8.738 1.00 1.00 H new ATOM 0 HG LEU A 15 11.998 1.343 -8.380 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.767 1.422 -6.650 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.136 1.375 -5.939 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.143 -0.093 -5.955 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.247 0.313 -8.788 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.620 -1.248 -8.208 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.964 -0.523 -9.695 1.00 1.00 H new ATOM 250 N THR A 16 8.713 1.384 -8.719 1.00 1.00 N ATOM 251 CA THR A 16 8.166 2.510 -9.413 1.00 1.00 C ATOM 252 C THR A 16 7.309 3.402 -8.582 1.00 1.00 C ATOM 253 O THR A 16 7.468 4.621 -8.614 1.00 1.00 O ATOM 254 CB THR A 16 7.407 2.121 -10.647 1.00 1.00 C ATOM 255 OG1 THR A 16 8.199 1.270 -11.464 1.00 1.00 O ATOM 256 CG2 THR A 16 7.076 3.347 -11.512 1.00 1.00 C ATOM 0 H THR A 16 8.476 0.493 -9.156 1.00 1.00 H new ATOM 0 HA THR A 16 9.053 3.078 -9.692 1.00 1.00 H new ATOM 0 HB THR A 16 6.496 1.628 -10.308 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.205 0.366 -11.086 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.526 3.029 -12.398 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.467 4.044 -10.937 1.00 1.00 H new ATOM 0 HG23 THR A 16 8.000 3.838 -11.816 1.00 1.00 H new ATOM 264 N ILE A 17 6.375 2.858 -7.783 1.00 1.00 N ATOM 265 CA ILE A 17 5.512 3.592 -6.910 1.00 1.00 C ATOM 266 C ILE A 17 6.264 4.284 -5.826 1.00 1.00 C ATOM 267 O ILE A 17 6.055 5.468 -5.567 1.00 1.00 O ATOM 268 CB ILE A 17 4.419 2.736 -6.340 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.534 2.170 -7.465 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.529 3.549 -5.387 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.676 0.984 -7.031 1.00 1.00 C ATOM 0 H ILE A 17 6.213 1.852 -7.744 1.00 1.00 H new ATOM 0 HA ILE A 17 5.042 4.359 -7.526 1.00 1.00 H new ATOM 0 HB ILE A 17 4.893 1.921 -5.794 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.883 2.961 -7.837 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.169 1.863 -8.296 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.744 2.908 -4.986 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.133 3.938 -4.568 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.077 4.379 -5.930 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.079 0.638 -7.875 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.321 0.175 -6.687 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.015 1.291 -6.221 1.00 1.00 H new ATOM 283 N GLU A 18 7.202 3.573 -5.173 1.00 1.00 N ATOM 284 CA GLU A 18 8.090 4.099 -4.183 1.00 1.00 C ATOM 285 C GLU A 18 8.831 5.294 -4.678 1.00 1.00 C ATOM 286 O GLU A 18 8.680 6.387 -4.136 1.00 1.00 O ATOM 287 CB GLU A 18 9.076 3.034 -3.673 1.00 1.00 C ATOM 288 CG GLU A 18 9.907 3.425 -2.450 1.00 1.00 C ATOM 289 CD GLU A 18 11.080 2.484 -2.209 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.314 1.527 -2.994 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.817 2.724 -1.216 1.00 1.00 O ATOM 0 H GLU A 18 7.348 2.578 -5.346 1.00 1.00 H new ATOM 0 HA GLU A 18 7.465 4.411 -3.346 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.514 2.131 -3.433 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.757 2.779 -4.485 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.282 4.440 -2.581 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.266 3.433 -1.568 1.00 1.00 H new ATOM 298 N GLU A 19 9.589 5.146 -5.779 1.00 1.00 N ATOM 299 CA GLU A 19 10.317 6.185 -6.439 1.00 1.00 C ATOM 300 C GLU A 19 9.503 7.362 -6.856 1.00 1.00 C ATOM 301 O GLU A 19 9.849 8.493 -6.518 1.00 1.00 O ATOM 302 CB GLU A 19 11.067 5.677 -7.683 1.00 1.00 C ATOM 303 CG GLU A 19 12.313 4.845 -7.369 1.00 1.00 C ATOM 304 CD GLU A 19 13.242 4.824 -8.574 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.690 5.928 -8.986 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.547 3.730 -9.118 1.00 1.00 O ATOM 0 H GLU A 19 9.700 4.242 -6.237 1.00 1.00 H new ATOM 0 HA GLU A 19 11.015 6.513 -5.669 1.00 1.00 H new ATOM 0 HB2 GLU A 19 10.385 5.076 -8.284 1.00 1.00 H new ATOM 0 HB3 GLU A 19 11.359 6.533 -8.292 1.00 1.00 H new ATOM 0 HG2 GLU A 19 12.832 5.263 -6.507 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.024 3.828 -7.104 1.00 1.00 H new ATOM 313 N ARG A 20 8.428 7.170 -7.640 1.00 1.00 N ATOM 314 CA ARG A 20 7.598 8.217 -8.150 1.00 1.00 C ATOM 315 C ARG A 20 7.108 9.143 -7.089 1.00 1.00 C ATOM 316 O ARG A 20 7.213 10.360 -7.215 1.00 1.00 O ATOM 317 CB ARG A 20 6.392 7.681 -8.941 1.00 1.00 C ATOM 318 CG ARG A 20 5.453 8.729 -9.540 1.00 1.00 C ATOM 319 CD ARG A 20 5.830 9.347 -10.889 1.00 1.00 C ATOM 320 NE ARG A 20 6.899 10.376 -10.754 1.00 1.00 N ATOM 321 CZ ARG A 20 7.521 10.929 -11.835 1.00 1.00 C ATOM 322 NH1 ARG A 20 7.061 10.735 -13.106 1.00 1.00 N ATOM 323 NH2 ARG A 20 8.609 11.727 -11.623 1.00 1.00 N ATOM 0 H ARG A 20 8.123 6.242 -7.932 1.00 1.00 H new ATOM 0 HA ARG A 20 8.246 8.776 -8.825 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.766 7.054 -9.751 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.810 7.037 -8.282 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.468 8.273 -9.645 1.00 1.00 H new ATOM 0 HG3 ARG A 20 5.354 9.539 -8.818 1.00 1.00 H new ATOM 0 HD2 ARG A 20 6.167 8.562 -11.566 1.00 1.00 H new ATOM 0 HD3 ARG A 20 4.947 9.799 -11.340 1.00 1.00 H new ATOM 0 HE ARG A 20 7.176 10.678 -9.820 1.00 1.00 H new ATOM 0 HH11 ARG A 20 6.231 10.164 -13.266 1.00 1.00 H new ATOM 0 HH12 ARG A 20 7.547 11.161 -13.895 1.00 1.00 H new ATOM 0 HH21 ARG A 20 8.939 11.898 -10.673 1.00 1.00 H new ATOM 0 HH22 ARG A 20 9.092 12.152 -12.415 1.00 1.00 H new ATOM 337 N LEU A 21 6.560 8.584 -5.995 1.00 1.00 N ATOM 338 CA LEU A 21 5.994 9.398 -4.964 1.00 1.00 C ATOM 339 C LEU A 21 6.996 9.952 -4.011 1.00 1.00 C ATOM 340 O LEU A 21 6.873 11.107 -3.606 1.00 1.00 O ATOM 341 CB LEU A 21 4.836 8.633 -4.301 1.00 1.00 C ATOM 342 CG LEU A 21 3.894 9.443 -3.392 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.404 10.767 -3.999 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.676 8.573 -3.037 1.00 1.00 C ATOM 0 H LEU A 21 6.509 7.580 -5.825 1.00 1.00 H new ATOM 0 HA LEU A 21 5.584 10.300 -5.419 1.00 1.00 H new ATOM 0 HB2 LEU A 21 4.237 8.176 -5.089 1.00 1.00 H new ATOM 0 HB3 LEU A 21 5.260 7.820 -3.711 1.00 1.00 H new ATOM 0 HG LEU A 21 4.476 9.712 -2.511 1.00 1.00 H new ATOM 0 HD11 LEU A 21 2.746 11.271 -3.291 1.00 1.00 H new ATOM 0 HD12 LEU A 21 4.260 11.406 -4.217 1.00 1.00 H new ATOM 0 HD13 LEU A 21 2.858 10.565 -4.920 1.00 1.00 H new ATOM 0 HD21 LEU A 21 2.001 9.137 -2.393 1.00 1.00 H new ATOM 0 HD22 LEU A 21 2.153 8.289 -3.950 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.009 7.676 -2.516 1.00 1.00 H new ATOM 356 N ASP A 22 8.065 9.221 -3.645 1.00 1.00 N ATOM 357 CA ASP A 22 9.111 9.697 -2.793 1.00 1.00 C ATOM 358 C ASP A 22 9.900 10.829 -3.356 1.00 1.00 C ATOM 359 O ASP A 22 10.320 11.738 -2.642 1.00 1.00 O ATOM 360 CB ASP A 22 10.010 8.508 -2.414 1.00 1.00 C ATOM 361 CG ASP A 22 10.970 8.801 -1.271 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.521 9.326 -0.217 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.185 8.495 -1.399 1.00 1.00 O ATOM 0 H ASP A 22 8.206 8.260 -3.955 1.00 1.00 H new ATOM 0 HA ASP A 22 8.643 10.120 -1.904 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.380 7.662 -2.139 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.585 8.206 -3.290 1.00 1.00 H new ATOM 368 N ASP A 23 10.112 10.859 -4.683 1.00 1.00 N ATOM 369 CA ASP A 23 10.718 11.948 -5.385 1.00 1.00 C ATOM 370 C ASP A 23 9.881 13.179 -5.402 1.00 1.00 C ATOM 371 O ASP A 23 10.393 14.291 -5.514 1.00 1.00 O ATOM 372 CB ASP A 23 11.058 11.439 -6.797 1.00 1.00 C ATOM 373 CG ASP A 23 11.647 12.480 -7.737 1.00 1.00 C ATOM 374 OD1 ASP A 23 10.859 13.222 -8.380 1.00 1.00 O ATOM 375 OD2 ASP A 23 12.900 12.581 -7.823 1.00 1.00 O ATOM 0 H ASP A 23 9.849 10.088 -5.296 1.00 1.00 H new ATOM 0 HA ASP A 23 11.624 12.262 -4.866 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.763 10.613 -6.708 1.00 1.00 H new ATOM 0 HB3 ASP A 23 10.151 11.037 -7.249 1.00 1.00 H new ATOM 380 N TRP A 24 8.544 13.057 -5.303 1.00 1.00 N ATOM 381 CA TRP A 24 7.635 14.130 -5.565 1.00 1.00 C ATOM 382 C TRP A 24 7.566 15.146 -4.476 1.00 1.00 C ATOM 383 O TRP A 24 7.773 14.852 -3.300 1.00 1.00 O ATOM 384 CB TRP A 24 6.250 13.556 -5.903 1.00 1.00 C ATOM 385 CG TRP A 24 5.476 14.330 -6.944 1.00 1.00 C ATOM 386 CD1 TRP A 24 5.629 14.316 -8.299 1.00 1.00 C ATOM 387 CD2 TRP A 24 4.421 15.268 -6.664 1.00 1.00 C ATOM 388 NE1 TRP A 24 4.766 15.207 -8.880 1.00 1.00 N ATOM 389 CE2 TRP A 24 4.015 15.800 -7.894 1.00 1.00 C ATOM 390 CE3 TRP A 24 3.832 15.665 -5.495 1.00 1.00 C ATOM 391 CZ2 TRP A 24 3.024 16.743 -7.955 1.00 1.00 C ATOM 392 CZ3 TRP A 24 2.830 16.604 -5.570 1.00 1.00 C ATOM 393 CH2 TRP A 24 2.440 17.139 -6.776 1.00 1.00 C ATOM 0 H TRP A 24 8.083 12.188 -5.033 1.00 1.00 H new ATOM 0 HA TRP A 24 8.022 14.678 -6.424 1.00 1.00 H new ATOM 0 HB2 TRP A 24 6.373 12.531 -6.251 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.658 13.513 -4.989 1.00 1.00 H new ATOM 0 HD1 TRP A 24 6.329 13.693 -8.836 1.00 1.00 H new ATOM 0 HE1 TRP A 24 4.693 15.399 -9.879 1.00 1.00 H new ATOM 0 HE3 TRP A 24 4.143 15.255 -4.546 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 2.711 17.162 -8.900 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 2.339 16.928 -4.664 1.00 1.00 H new ATOM 0 HH2 TRP A 24 1.659 17.885 -6.796 1.00 1.00 H new ATOM 404 N ASP A 25 7.303 16.417 -4.826 1.00 1.00 N ATOM 405 CA ASP A 25 7.307 17.509 -3.904 1.00 1.00 C ATOM 406 C ASP A 25 6.035 18.272 -4.051 1.00 1.00 C ATOM 407 O ASP A 25 5.606 18.571 -5.165 1.00 1.00 O ATOM 408 CB ASP A 25 8.523 18.401 -4.202 1.00 1.00 C ATOM 409 CG ASP A 25 9.003 19.126 -2.951 1.00 1.00 C ATOM 410 OD1 ASP A 25 9.576 18.447 -2.058 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.852 20.375 -2.869 1.00 1.00 O ATOM 0 H ASP A 25 7.080 16.694 -5.782 1.00 1.00 H new ATOM 0 HA ASP A 25 7.378 17.150 -2.877 1.00 1.00 H new ATOM 0 HB2 ASP A 25 9.333 17.792 -4.604 1.00 1.00 H new ATOM 0 HB3 ASP A 25 8.262 19.130 -4.969 1.00 1.00 H new ATOM 416 N GLY A 26 5.360 18.623 -2.942 1.00 1.00 N ATOM 417 CA GLY A 26 4.050 19.193 -3.028 1.00 1.00 C ATOM 418 C GLY A 26 3.606 19.799 -1.742 1.00 1.00 C ATOM 419 O GLY A 26 4.409 20.277 -0.944 1.00 1.00 O ATOM 0 H GLY A 26 5.717 18.514 -1.993 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.039 19.955 -3.808 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.340 18.421 -3.326 1.00 1.00 H new ATOM 423 N ASP A 27 2.286 19.778 -1.485 1.00 1.00 N ATOM 424 CA ASP A 27 1.725 20.096 -0.208 1.00 1.00 C ATOM 425 C ASP A 27 1.931 18.923 0.687 1.00 1.00 C ATOM 426 O ASP A 27 2.342 19.046 1.840 1.00 1.00 O ATOM 427 CB ASP A 27 0.240 20.470 -0.348 1.00 1.00 C ATOM 428 CG ASP A 27 -0.206 21.335 0.822 1.00 1.00 C ATOM 429 OD1 ASP A 27 0.397 22.425 1.014 1.00 1.00 O ATOM 430 OD2 ASP A 27 -1.152 20.954 1.562 1.00 1.00 O ATOM 0 H ASP A 27 1.588 19.532 -2.187 1.00 1.00 H new ATOM 0 HA ASP A 27 2.219 20.965 0.226 1.00 1.00 H new ATOM 0 HB2 ASP A 27 0.081 21.005 -1.284 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -0.366 19.565 -0.390 1.00 1.00 H new ATOM 435 N SER A 28 1.717 17.718 0.127 1.00 1.00 N ATOM 436 CA SER A 28 1.968 16.459 0.756 1.00 1.00 C ATOM 437 C SER A 28 3.406 16.195 1.044 1.00 1.00 C ATOM 438 O SER A 28 4.292 16.504 0.249 1.00 1.00 O ATOM 439 CB SER A 28 1.494 15.268 -0.093 1.00 1.00 C ATOM 440 OG SER A 28 0.106 15.360 -0.380 1.00 1.00 O ATOM 0 H SER A 28 1.348 17.618 -0.819 1.00 1.00 H new ATOM 0 HA SER A 28 1.407 16.542 1.687 1.00 1.00 H new ATOM 0 HB2 SER A 28 2.059 15.235 -1.025 1.00 1.00 H new ATOM 0 HB3 SER A 28 1.697 14.337 0.436 1.00 1.00 H new ATOM 0 HG SER A 28 -0.088 16.233 -0.782 1.00 1.00 H new ATOM 446 N ASP A 29 3.687 15.573 2.203 1.00 1.00 N ATOM 447 CA ASP A 29 4.969 15.076 2.591 1.00 1.00 C ATOM 448 C ASP A 29 4.853 13.590 2.583 1.00 1.00 C ATOM 449 O ASP A 29 3.768 13.064 2.826 1.00 1.00 O ATOM 450 CB ASP A 29 5.316 15.654 3.973 1.00 1.00 C ATOM 451 CG ASP A 29 6.784 15.467 4.329 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.645 16.133 3.696 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.078 14.659 5.250 1.00 1.00 O ATOM 0 H ASP A 29 2.973 15.408 2.913 1.00 1.00 H new ATOM 0 HA ASP A 29 5.777 15.370 1.921 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.073 16.716 3.991 1.00 1.00 H new ATOM 0 HB3 ASP A 29 4.697 15.173 4.731 1.00 1.00 H new ATOM 458 N ILE A 30 5.938 12.868 2.249 1.00 1.00 N ATOM 459 CA ILE A 30 5.929 11.505 1.817 1.00 1.00 C ATOM 460 C ILE A 30 7.013 10.774 2.533 1.00 1.00 C ATOM 461 O ILE A 30 8.204 11.010 2.334 1.00 1.00 O ATOM 462 CB ILE A 30 6.177 11.354 0.346 1.00 1.00 C ATOM 463 CG1 ILE A 30 5.129 12.074 -0.520 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.261 9.872 -0.057 1.00 1.00 C ATOM 465 CD1 ILE A 30 3.697 11.573 -0.330 1.00 1.00 C ATOM 0 H ILE A 30 6.879 13.261 2.283 1.00 1.00 H new ATOM 0 HA ILE A 30 4.939 11.106 2.036 1.00 1.00 H new ATOM 0 HB ILE A 30 7.138 11.833 0.157 1.00 1.00 H new ATOM 0 HG12 ILE A 30 5.160 13.140 -0.295 1.00 1.00 H new ATOM 0 HG13 ILE A 30 5.404 11.962 -1.569 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.441 9.796 -1.129 1.00 1.00 H new ATOM 0 HG22 ILE A 30 7.078 9.394 0.483 1.00 1.00 H new ATOM 0 HG23 ILE A 30 5.323 9.374 0.189 1.00 1.00 H new ATOM 0 HD11 ILE A 30 3.026 12.136 -0.979 1.00 1.00 H new ATOM 0 HD12 ILE A 30 3.645 10.514 -0.585 1.00 1.00 H new ATOM 0 HD13 ILE A 30 3.398 11.711 0.709 1.00 1.00 H new ATOM 477 N ASP A 31 6.624 9.793 3.367 1.00 1.00 N ATOM 478 CA ASP A 31 7.462 8.718 3.798 1.00 1.00 C ATOM 479 C ASP A 31 6.833 7.423 3.415 1.00 1.00 C ATOM 480 O ASP A 31 5.825 7.008 3.983 1.00 1.00 O ATOM 481 CB ASP A 31 7.703 8.722 5.316 1.00 1.00 C ATOM 482 CG ASP A 31 8.660 9.815 5.772 1.00 1.00 C ATOM 483 OD1 ASP A 31 8.301 11.021 5.716 1.00 1.00 O ATOM 484 OD2 ASP A 31 9.767 9.473 6.268 1.00 1.00 O ATOM 0 H ASP A 31 5.683 9.748 3.758 1.00 1.00 H new ATOM 0 HA ASP A 31 8.428 8.848 3.311 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.749 8.848 5.828 1.00 1.00 H new ATOM 0 HB3 ASP A 31 8.101 7.752 5.616 1.00 1.00 H new ATOM 489 N CYS A 32 7.386 6.667 2.449 1.00 1.00 N ATOM 490 CA CYS A 32 6.999 5.301 2.288 1.00 1.00 C ATOM 491 C CYS A 32 7.647 4.456 3.331 1.00 1.00 C ATOM 492 O CYS A 32 8.798 4.680 3.704 1.00 1.00 O ATOM 493 CB CYS A 32 7.349 4.695 0.918 1.00 1.00 C ATOM 494 SG CYS A 32 6.471 3.146 0.553 1.00 1.00 S ATOM 0 H CYS A 32 8.091 6.996 1.789 1.00 1.00 H new ATOM 0 HA CYS A 32 5.913 5.307 2.379 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.120 5.423 0.140 1.00 1.00 H new ATOM 0 HB3 CYS A 32 8.423 4.511 0.876 1.00 1.00 H new ATOM 0 HG CYS A 32 6.675 2.295 1.514 1.00 1.00 H new ATOM 500 N GLU A 33 6.941 3.429 3.835 1.00 1.00 N ATOM 501 CA GLU A 33 7.475 2.438 4.718 1.00 1.00 C ATOM 502 C GLU A 33 7.757 1.194 3.949 1.00 1.00 C ATOM 503 O GLU A 33 6.965 0.798 3.096 1.00 1.00 O ATOM 504 CB GLU A 33 6.474 2.019 5.809 1.00 1.00 C ATOM 505 CG GLU A 33 5.918 3.174 6.644 1.00 1.00 C ATOM 506 CD GLU A 33 5.000 2.669 7.747 1.00 1.00 C ATOM 507 OE1 GLU A 33 4.061 1.881 7.451 1.00 1.00 O ATOM 508 OE2 GLU A 33 5.223 3.039 8.931 1.00 1.00 O ATOM 0 H GLU A 33 5.955 3.282 3.618 1.00 1.00 H new ATOM 0 HA GLU A 33 8.363 2.880 5.170 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.642 1.496 5.338 1.00 1.00 H new ATOM 0 HB3 GLU A 33 6.961 1.308 6.476 1.00 1.00 H new ATOM 0 HG2 GLU A 33 6.742 3.737 7.083 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.370 3.861 5.999 1.00 1.00 H new ATOM 515 N ILE A 34 8.887 0.527 4.251 1.00 1.00 N ATOM 516 CA ILE A 34 9.311 -0.709 3.672 1.00 1.00 C ATOM 517 C ILE A 34 9.484 -1.706 4.767 1.00 1.00 C ATOM 518 O ILE A 34 10.397 -1.681 5.589 1.00 1.00 O ATOM 519 CB ILE A 34 10.533 -0.538 2.819 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.192 -1.865 2.406 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.574 0.389 3.466 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.290 -2.809 1.610 1.00 1.00 C ATOM 0 H ILE A 34 9.547 0.876 4.946 1.00 1.00 H new ATOM 0 HA ILE A 34 8.550 -1.081 2.987 1.00 1.00 H new ATOM 0 HB ILE A 34 10.165 -0.066 1.908 1.00 1.00 H new ATOM 0 HG12 ILE A 34 12.078 -1.644 1.811 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.531 -2.381 3.304 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.439 0.480 2.809 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.135 1.374 3.626 1.00 1.00 H new ATOM 0 HG23 ILE A 34 11.888 -0.028 4.423 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.841 -3.717 1.364 1.00 1.00 H new ATOM 0 HD12 ILE A 34 9.415 -3.066 2.207 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.971 -2.318 0.691 1.00 1.00 H new ATOM 534 N ASN A 35 8.533 -2.655 4.810 1.00 1.00 N ATOM 535 CA ASN A 35 8.525 -3.756 5.723 1.00 1.00 C ATOM 536 C ASN A 35 8.605 -5.036 4.965 1.00 1.00 C ATOM 537 O ASN A 35 7.664 -5.829 4.923 1.00 1.00 O ATOM 538 CB ASN A 35 7.287 -3.729 6.635 1.00 1.00 C ATOM 539 CG ASN A 35 7.239 -2.424 7.418 1.00 1.00 C ATOM 540 OD1 ASN A 35 6.358 -1.590 7.219 1.00 1.00 O ATOM 541 ND2 ASN A 35 8.212 -2.221 8.346 1.00 1.00 N ATOM 0 H ASN A 35 7.732 -2.655 4.179 1.00 1.00 H new ATOM 0 HA ASN A 35 9.397 -3.672 6.371 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.383 -3.836 6.036 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.315 -4.574 7.323 1.00 1.00 H new ATOM 0 HD21 ASN A 35 8.222 -1.362 8.895 1.00 1.00 H new ATOM 0 HD22 ASN A 35 8.932 -2.928 8.493 1.00 1.00 H new ATOM 548 N GLY A 36 9.765 -5.292 4.336 1.00 1.00 N ATOM 549 CA GLY A 36 10.096 -6.517 3.676 1.00 1.00 C ATOM 550 C GLY A 36 9.388 -6.728 2.382 1.00 1.00 C ATOM 551 O GLY A 36 9.891 -6.409 1.307 1.00 1.00 O ATOM 0 H GLY A 36 10.516 -4.604 4.285 1.00 1.00 H new ATOM 0 HA2 GLY A 36 11.171 -6.540 3.496 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.866 -7.349 4.342 1.00 1.00 H new ATOM 555 N GLY A 37 8.174 -7.305 2.463 1.00 1.00 N ATOM 556 CA GLY A 37 7.281 -7.509 1.366 1.00 1.00 C ATOM 557 C GLY A 37 5.978 -6.817 1.575 1.00 1.00 C ATOM 558 O GLY A 37 4.954 -7.237 1.039 1.00 1.00 O ATOM 0 H GLY A 37 7.796 -7.648 3.346 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.743 -7.144 0.449 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.108 -8.577 1.232 1.00 1.00 H new ATOM 562 N VAL A 38 5.981 -5.722 2.354 1.00 1.00 N ATOM 563 CA VAL A 38 4.879 -4.821 2.491 1.00 1.00 C ATOM 564 C VAL A 38 5.389 -3.442 2.245 1.00 1.00 C ATOM 565 O VAL A 38 6.384 -3.033 2.841 1.00 1.00 O ATOM 566 CB VAL A 38 4.264 -4.890 3.857 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.087 -3.907 3.984 1.00 1.00 C ATOM 568 CG2 VAL A 38 3.771 -6.320 4.132 1.00 1.00 C ATOM 0 H VAL A 38 6.789 -5.452 2.915 1.00 1.00 H new ATOM 0 HA VAL A 38 4.105 -5.095 1.775 1.00 1.00 H new ATOM 0 HB VAL A 38 5.024 -4.614 4.588 1.00 1.00 H new ATOM 0 HG11 VAL A 38 2.660 -3.978 4.984 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.442 -2.891 3.812 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.325 -4.155 3.246 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.325 -6.366 5.125 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.026 -6.598 3.386 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.612 -7.011 4.080 1.00 1.00 H new ATOM 578 N LEU A 39 4.740 -2.665 1.360 1.00 1.00 N ATOM 579 CA LEU A 39 4.951 -1.257 1.233 1.00 1.00 C ATOM 580 C LEU A 39 3.713 -0.549 1.663 1.00 1.00 C ATOM 581 O LEU A 39 2.614 -0.758 1.153 1.00 1.00 O ATOM 582 CB LEU A 39 5.277 -0.814 -0.204 1.00 1.00 C ATOM 583 CG LEU A 39 6.714 -1.107 -0.666 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.866 -0.766 -2.158 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.795 -0.339 0.112 1.00 1.00 C ATOM 0 H LEU A 39 4.044 -3.030 0.710 1.00 1.00 H new ATOM 0 HA LEU A 39 5.810 -1.009 1.856 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.585 -1.308 -0.886 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.096 0.258 -0.287 1.00 1.00 H new ATOM 0 HG LEU A 39 6.868 -2.169 -0.475 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.887 -0.976 -2.477 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.171 -1.370 -2.742 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.648 0.290 -2.314 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.779 -0.603 -0.276 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.634 0.733 -0.004 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.739 -0.602 1.168 1.00 1.00 H new ATOM 597 N THR A 40 3.883 0.355 2.646 1.00 1.00 N ATOM 598 CA THR A 40 2.834 1.154 3.199 1.00 1.00 C ATOM 599 C THR A 40 3.239 2.574 3.000 1.00 1.00 C ATOM 600 O THR A 40 4.254 3.041 3.514 1.00 1.00 O ATOM 601 CB THR A 40 2.564 0.904 4.654 1.00 1.00 C ATOM 602 OG1 THR A 40 3.623 0.248 5.334 1.00 1.00 O ATOM 603 CG2 THR A 40 1.351 -0.030 4.803 1.00 1.00 C ATOM 0 H THR A 40 4.791 0.536 3.073 1.00 1.00 H new ATOM 0 HA THR A 40 1.903 0.897 2.693 1.00 1.00 H new ATOM 0 HB THR A 40 2.413 1.894 5.085 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.826 0.728 6.164 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.158 -0.209 5.861 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.476 0.434 4.348 1.00 1.00 H new ATOM 0 HG23 THR A 40 1.558 -0.978 4.306 1.00 1.00 H new ATOM 611 N ILE A 41 2.479 3.349 2.206 1.00 1.00 N ATOM 612 CA ILE A 41 2.879 4.675 1.847 1.00 1.00 C ATOM 613 C ILE A 41 2.263 5.635 2.807 1.00 1.00 C ATOM 614 O ILE A 41 1.039 5.729 2.869 1.00 1.00 O ATOM 615 CB ILE A 41 2.486 5.063 0.453 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.957 4.015 -0.572 1.00 1.00 C ATOM 617 CG2 ILE A 41 3.072 6.446 0.122 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.344 4.189 -1.959 1.00 1.00 C ATOM 0 H ILE A 41 1.585 3.057 1.811 1.00 1.00 H new ATOM 0 HA ILE A 41 3.968 4.702 1.887 1.00 1.00 H new ATOM 0 HB ILE A 41 1.398 5.109 0.397 1.00 1.00 H new ATOM 0 HG12 ILE A 41 4.043 4.065 -0.656 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.712 3.020 -0.199 1.00 1.00 H new ATOM 0 HG21 ILE A 41 2.787 6.729 -0.891 1.00 1.00 H new ATOM 0 HG22 ILE A 41 2.686 7.183 0.827 1.00 1.00 H new ATOM 0 HG23 ILE A 41 4.159 6.408 0.196 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.724 3.414 -2.625 1.00 1.00 H new ATOM 0 HD12 ILE A 41 1.259 4.108 -1.890 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.610 5.169 -2.354 1.00 1.00 H new ATOM 630 N THR A 42 3.073 6.359 3.601 1.00 1.00 N ATOM 631 CA THR A 42 2.551 7.198 4.635 1.00 1.00 C ATOM 632 C THR A 42 2.702 8.651 4.345 1.00 1.00 C ATOM 633 O THR A 42 3.809 9.154 4.167 1.00 1.00 O ATOM 634 CB THR A 42 3.039 6.889 6.018 1.00 1.00 C ATOM 635 OG1 THR A 42 4.423 7.122 6.239 1.00 1.00 O ATOM 636 CG2 THR A 42 2.768 5.413 6.355 1.00 1.00 C ATOM 0 H THR A 42 4.090 6.363 3.527 1.00 1.00 H new ATOM 0 HA THR A 42 1.489 6.953 4.628 1.00 1.00 H new ATOM 0 HB THR A 42 2.487 7.577 6.658 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.904 7.071 5.386 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.126 5.198 7.362 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.697 5.218 6.301 1.00 1.00 H new ATOM 0 HG23 THR A 42 3.289 4.775 5.641 1.00 1.00 H new ATOM 644 N PHE A 43 1.590 9.409 4.273 1.00 1.00 N ATOM 645 CA PHE A 43 1.608 10.814 4.012 1.00 1.00 C ATOM 646 C PHE A 43 1.046 11.644 5.113 1.00 1.00 C ATOM 647 O PHE A 43 0.424 11.173 6.065 1.00 1.00 O ATOM 648 CB PHE A 43 1.060 11.203 2.628 1.00 1.00 C ATOM 649 CG PHE A 43 -0.016 10.316 2.103 1.00 1.00 C ATOM 650 CD1 PHE A 43 0.314 9.237 1.318 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.342 10.624 2.295 1.00 1.00 C ATOM 652 CE1 PHE A 43 -0.663 8.464 0.737 1.00 1.00 C ATOM 653 CE2 PHE A 43 -2.323 9.860 1.708 1.00 1.00 C ATOM 654 CZ PHE A 43 -1.987 8.775 0.934 1.00 1.00 C ATOM 0 H PHE A 43 0.651 9.031 4.401 1.00 1.00 H new ATOM 0 HA PHE A 43 2.669 11.060 3.980 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.677 12.222 2.679 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.885 11.208 1.916 1.00 1.00 H new ATOM 0 HD1 PHE A 43 1.354 8.994 1.156 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -1.614 11.469 2.909 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -0.391 7.615 0.128 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -3.362 10.114 1.856 1.00 1.00 H new ATOM 0 HZ PHE A 43 -2.760 8.170 0.483 1.00 1.00 H new ATOM 664 N GLU A 44 1.296 12.965 5.046 1.00 1.00 N ATOM 665 CA GLU A 44 1.254 13.915 6.114 1.00 1.00 C ATOM 666 C GLU A 44 -0.058 14.142 6.782 1.00 1.00 C ATOM 667 O GLU A 44 -0.141 14.386 7.985 1.00 1.00 O ATOM 668 CB GLU A 44 1.849 15.202 5.517 1.00 1.00 C ATOM 669 CG GLU A 44 0.955 16.114 4.676 1.00 1.00 C ATOM 670 CD GLU A 44 0.382 17.312 5.423 1.00 1.00 C ATOM 671 OE1 GLU A 44 0.603 17.451 6.656 1.00 1.00 O ATOM 672 OE2 GLU A 44 -0.286 18.153 4.766 1.00 1.00 O ATOM 0 H GLU A 44 1.551 13.405 4.162 1.00 1.00 H new ATOM 0 HA GLU A 44 1.823 13.518 6.955 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.241 15.796 6.342 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.700 14.915 4.899 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.529 16.476 3.823 1.00 1.00 H new ATOM 0 HG3 GLU A 44 0.130 15.524 4.277 1.00 1.00 H new ATOM 679 N ASN A 45 -1.161 14.004 6.025 1.00 1.00 N ATOM 680 CA ASN A 45 -2.497 14.119 6.524 1.00 1.00 C ATOM 681 C ASN A 45 -2.971 12.954 7.322 1.00 1.00 C ATOM 682 O ASN A 45 -4.085 12.968 7.846 1.00 1.00 O ATOM 683 CB ASN A 45 -3.484 14.467 5.397 1.00 1.00 C ATOM 684 CG ASN A 45 -3.310 15.939 5.053 1.00 1.00 C ATOM 685 OD1 ASN A 45 -3.662 16.819 5.837 1.00 1.00 O ATOM 686 ND2 ASN A 45 -2.729 16.244 3.863 1.00 1.00 N ATOM 0 H ASN A 45 -1.121 13.804 5.026 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.463 14.946 7.233 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.295 13.847 4.521 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.508 14.269 5.713 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -2.577 17.219 3.605 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -2.445 15.498 3.228 1.00 1.00 H new ATOM 693 N GLY A 46 -2.141 11.912 7.503 1.00 1.00 N ATOM 694 CA GLY A 46 -2.370 10.871 8.459 1.00 1.00 C ATOM 695 C GLY A 46 -2.955 9.640 7.859 1.00 1.00 C ATOM 696 O GLY A 46 -3.199 8.647 8.546 1.00 1.00 O ATOM 0 H GLY A 46 -1.282 11.789 6.967 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.427 10.618 8.944 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -3.039 11.241 9.236 1.00 1.00 H new ATOM 700 N SER A 47 -3.210 9.677 6.539 1.00 1.00 N ATOM 701 CA SER A 47 -3.737 8.621 5.735 1.00 1.00 C ATOM 702 C SER A 47 -2.631 7.889 5.055 1.00 1.00 C ATOM 703 O SER A 47 -1.485 8.336 5.039 1.00 1.00 O ATOM 704 CB SER A 47 -4.752 9.197 4.730 1.00 1.00 C ATOM 705 OG SER A 47 -4.297 10.430 4.195 1.00 1.00 O ATOM 0 H SER A 47 -3.031 10.518 5.991 1.00 1.00 H new ATOM 0 HA SER A 47 -4.259 7.902 6.366 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.913 8.484 3.922 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.713 9.343 5.223 1.00 1.00 H new ATOM 0 HG SER A 47 -3.499 10.275 3.648 1.00 1.00 H new ATOM 711 N LYS A 48 -2.916 6.687 4.524 1.00 1.00 N ATOM 712 CA LYS A 48 -1.895 5.824 4.018 1.00 1.00 C ATOM 713 C LYS A 48 -2.408 4.757 3.115 1.00 1.00 C ATOM 714 O LYS A 48 -3.583 4.396 3.121 1.00 1.00 O ATOM 715 CB LYS A 48 -1.087 5.164 5.150 1.00 1.00 C ATOM 716 CG LYS A 48 -1.932 4.435 6.197 1.00 1.00 C ATOM 717 CD LYS A 48 -1.071 3.642 7.183 1.00 1.00 C ATOM 718 CE LYS A 48 -1.902 2.875 8.214 1.00 1.00 C ATOM 719 NZ LYS A 48 -1.025 2.046 9.070 1.00 1.00 N ATOM 0 H LYS A 48 -3.861 6.311 4.445 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.249 6.479 3.434 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.385 4.455 4.711 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.495 5.930 5.650 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.534 5.160 6.744 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -2.625 3.759 5.696 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -0.448 2.939 6.630 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -0.398 4.325 7.701 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -2.465 3.576 8.830 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -2.629 2.242 7.706 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -1.603 1.532 9.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -0.506 1.365 8.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -0.348 2.658 9.569 1.00 1.00 H new ATOM 733 N ILE A 49 -1.517 4.200 2.274 1.00 1.00 N ATOM 734 CA ILE A 49 -1.803 3.151 1.344 1.00 1.00 C ATOM 735 C ILE A 49 -1.250 1.891 1.916 1.00 1.00 C ATOM 736 O ILE A 49 -0.163 1.925 2.489 1.00 1.00 O ATOM 737 CB ILE A 49 -1.132 3.373 0.021 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.276 4.826 -0.465 1.00 1.00 C ATOM 739 CG2 ILE A 49 -1.633 2.384 -1.045 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.710 5.341 -0.585 1.00 1.00 C ATOM 0 H ILE A 49 -0.542 4.499 2.242 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.880 3.113 1.183 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.070 3.185 0.177 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.731 5.476 0.220 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -0.794 4.914 -1.439 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.123 2.577 -1.989 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.424 1.364 -0.722 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -2.707 2.509 -1.181 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.698 6.373 -0.935 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.260 4.724 -1.295 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.196 5.294 0.389 1.00 1.00 H new ATOM 752 N ILE A 50 -1.946 0.746 1.800 1.00 1.00 N ATOM 753 CA ILE A 50 -1.543 -0.487 2.398 1.00 1.00 C ATOM 754 C ILE A 50 -1.392 -1.541 1.357 1.00 1.00 C ATOM 755 O ILE A 50 -2.375 -2.031 0.801 1.00 1.00 O ATOM 756 CB ILE A 50 -2.514 -1.009 3.416 1.00 1.00 C ATOM 757 CG1 ILE A 50 -3.353 0.062 4.131 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.799 -1.934 4.415 1.00 1.00 C ATOM 759 CD1 ILE A 50 -2.593 0.930 5.133 1.00 1.00 C ATOM 0 H ILE A 50 -2.817 0.677 1.273 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.600 -0.268 2.899 1.00 1.00 H new ATOM 0 HB ILE A 50 -3.248 -1.583 2.850 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.799 0.712 3.378 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -4.173 -0.432 4.652 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.517 -2.304 5.147 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.359 -2.776 3.881 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -1.013 -1.379 4.927 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -3.276 1.652 5.581 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -2.170 0.298 5.914 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.790 1.460 4.620 1.00 1.00 H new ATOM 771 N ILE A 51 -0.152 -1.950 1.031 1.00 1.00 N ATOM 772 CA ILE A 51 0.087 -2.969 0.057 1.00 1.00 C ATOM 773 C ILE A 51 0.870 -4.102 0.622 1.00 1.00 C ATOM 774 O ILE A 51 2.097 -4.094 0.721 1.00 1.00 O ATOM 775 CB ILE A 51 0.680 -2.452 -1.220 1.00 1.00 C ATOM 776 CG1 ILE A 51 -0.157 -1.219 -1.603 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.615 -3.566 -2.280 1.00 1.00 C ATOM 778 CD1 ILE A 51 -0.084 -0.840 -3.082 1.00 1.00 C ATOM 0 H ILE A 51 0.696 -1.568 1.450 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.895 -3.355 -0.216 1.00 1.00 H new ATOM 0 HB ILE A 51 1.728 -2.167 -1.128 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -1.198 -1.406 -1.339 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.176 -0.370 -1.006 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.043 -3.204 -3.215 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.180 -4.431 -1.933 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.424 -3.852 -2.444 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.703 0.039 -3.263 1.00 1.00 H new ATOM 0 HD12 ILE A 51 0.949 -0.618 -3.350 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -0.446 -1.670 -3.689 1.00 1.00 H new ATOM 790 N ASN A 52 0.107 -5.149 0.987 1.00 1.00 N ATOM 791 CA ASN A 52 0.538 -6.425 1.464 1.00 1.00 C ATOM 792 C ASN A 52 0.278 -7.444 0.407 1.00 1.00 C ATOM 793 O ASN A 52 -0.652 -7.412 -0.395 1.00 1.00 O ATOM 794 CB ASN A 52 -0.185 -6.934 2.723 1.00 1.00 C ATOM 795 CG ASN A 52 0.019 -6.081 3.967 1.00 1.00 C ATOM 796 OD1 ASN A 52 -0.027 -4.852 3.992 1.00 1.00 O ATOM 797 ND2 ASN A 52 0.234 -6.780 5.113 1.00 1.00 N ATOM 0 H ASN A 52 -0.910 -5.092 0.942 1.00 1.00 H new ATOM 0 HA ASN A 52 1.590 -6.290 1.714 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -1.253 -6.994 2.512 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.155 -7.948 2.935 1.00 1.00 H new ATOM 0 HD21 ASN A 52 0.358 -6.285 5.996 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.272 -7.799 5.089 1.00 1.00 H new ATOM 804 N ARG A 53 1.171 -8.449 0.393 1.00 1.00 N ATOM 805 CA ARG A 53 1.263 -9.371 -0.695 1.00 1.00 C ATOM 806 C ARG A 53 1.834 -10.647 -0.180 1.00 1.00 C ATOM 807 O ARG A 53 2.813 -10.679 0.563 1.00 1.00 O ATOM 808 CB ARG A 53 2.152 -8.697 -1.756 1.00 1.00 C ATOM 809 CG ARG A 53 2.661 -9.549 -2.921 1.00 1.00 C ATOM 810 CD ARG A 53 3.882 -8.957 -3.628 1.00 1.00 C ATOM 811 NE ARG A 53 5.016 -9.162 -2.684 1.00 1.00 N ATOM 812 CZ ARG A 53 6.199 -8.479 -2.646 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.440 -7.353 -3.379 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.165 -8.950 -1.807 1.00 1.00 N ATOM 0 H ARG A 53 1.837 -8.624 1.145 1.00 1.00 H new ATOM 0 HA ARG A 53 0.300 -9.614 -1.144 1.00 1.00 H new ATOM 0 HB2 ARG A 53 1.594 -7.860 -2.175 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.020 -8.278 -1.246 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.913 -10.542 -2.550 1.00 1.00 H new ATOM 0 HG3 ARG A 53 1.857 -9.674 -3.647 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.066 -9.456 -4.580 1.00 1.00 H new ATOM 0 HD3 ARG A 53 3.737 -7.899 -3.845 1.00 1.00 H new ATOM 0 HE ARG A 53 4.896 -9.896 -1.986 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.717 -6.981 -3.995 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.343 -6.884 -3.311 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.988 -9.780 -1.241 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.064 -8.472 -1.745 1.00 1.00 H new ATOM 828 N GLN A 54 1.207 -11.768 -0.579 1.00 1.00 N ATOM 829 CA GLN A 54 1.769 -13.081 -0.487 1.00 1.00 C ATOM 830 C GLN A 54 2.509 -13.320 -1.759 1.00 1.00 C ATOM 831 O GLN A 54 1.999 -13.079 -2.852 1.00 1.00 O ATOM 832 CB GLN A 54 0.656 -14.121 -0.280 1.00 1.00 C ATOM 833 CG GLN A 54 0.313 -14.393 1.186 1.00 1.00 C ATOM 834 CD GLN A 54 1.105 -15.534 1.811 1.00 1.00 C ATOM 835 OE1 GLN A 54 2.454 -15.399 1.911 1.00 1.00 O flip ATOM 836 NE2 GLN A 54 0.535 -16.543 2.225 1.00 1.00 N flip ATOM 0 H GLN A 54 0.270 -11.760 -0.982 1.00 1.00 H new ATOM 0 HA GLN A 54 2.444 -13.169 0.365 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -0.243 -13.781 -0.794 1.00 1.00 H new ATOM 0 HB3 GLN A 54 0.957 -15.057 -0.750 1.00 1.00 H new ATOM 0 HG2 GLN A 54 0.488 -13.485 1.763 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -0.751 -14.619 1.263 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -0.478 -16.627 2.142 1.00 1.00 H new ATOM 0 HE22 GLN A 54 1.076 -17.295 2.652 1.00 1.00 H new ATOM 845 N GLU A 55 3.775 -13.756 -1.646 1.00 1.00 N ATOM 846 CA GLU A 55 4.584 -14.182 -2.747 1.00 1.00 C ATOM 847 C GLU A 55 4.054 -15.390 -3.439 1.00 1.00 C ATOM 848 O GLU A 55 3.878 -15.296 -4.653 1.00 1.00 O ATOM 849 CB GLU A 55 6.068 -14.248 -2.350 1.00 1.00 C ATOM 850 CG GLU A 55 6.993 -14.895 -3.381 1.00 1.00 C ATOM 851 CD GLU A 55 8.444 -14.917 -2.925 1.00 1.00 C ATOM 852 OE1 GLU A 55 8.723 -15.419 -1.804 1.00 1.00 O ATOM 853 OE2 GLU A 55 9.334 -14.445 -3.683 1.00 1.00 O ATOM 0 H GLU A 55 4.257 -13.815 -0.749 1.00 1.00 H new ATOM 0 HA GLU A 55 4.523 -13.417 -3.521 1.00 1.00 H new ATOM 0 HB2 GLU A 55 6.420 -13.235 -2.156 1.00 1.00 H new ATOM 0 HB3 GLU A 55 6.152 -14.800 -1.414 1.00 1.00 H new ATOM 0 HG2 GLU A 55 6.660 -15.915 -3.574 1.00 1.00 H new ATOM 0 HG3 GLU A 55 6.919 -14.352 -4.323 1.00 1.00 H new ATOM 860 N PRO A 56 3.713 -16.501 -2.856 1.00 1.00 N ATOM 861 CA PRO A 56 2.888 -17.489 -3.486 1.00 1.00 C ATOM 862 C PRO A 56 1.479 -17.064 -3.725 1.00 1.00 C ATOM 863 O PRO A 56 1.113 -15.927 -3.434 1.00 1.00 O ATOM 864 CB PRO A 56 2.910 -18.678 -2.531 1.00 1.00 C ATOM 865 CG PRO A 56 4.210 -18.507 -1.729 1.00 1.00 C ATOM 866 CD PRO A 56 4.271 -16.977 -1.600 1.00 1.00 C ATOM 0 HA PRO A 56 3.278 -17.703 -4.481 1.00 1.00 H new ATOM 0 HB2 PRO A 56 2.038 -18.677 -1.877 1.00 1.00 H new ATOM 0 HB3 PRO A 56 2.901 -19.623 -3.074 1.00 1.00 H new ATOM 0 HG2 PRO A 56 4.165 -19.002 -0.759 1.00 1.00 H new ATOM 0 HG3 PRO A 56 5.075 -18.912 -2.254 1.00 1.00 H new ATOM 0 HD2 PRO A 56 3.693 -16.624 -0.746 1.00 1.00 H new ATOM 0 HD3 PRO A 56 5.294 -16.628 -1.459 1.00 1.00 H new ATOM 874 N LEU A 57 0.623 -17.970 -4.232 1.00 1.00 N ATOM 875 CA LEU A 57 -0.798 -17.860 -4.348 1.00 1.00 C ATOM 876 C LEU A 57 -1.274 -17.103 -5.539 1.00 1.00 C ATOM 877 O LEU A 57 -2.348 -17.371 -6.074 1.00 1.00 O ATOM 878 CB LEU A 57 -1.565 -17.352 -3.114 1.00 1.00 C ATOM 879 CG LEU A 57 -1.074 -17.998 -1.808 1.00 1.00 C ATOM 880 CD1 LEU A 57 -1.687 -17.306 -0.579 1.00 1.00 C ATOM 881 CD2 LEU A 57 -1.302 -19.518 -1.740 1.00 1.00 C ATOM 0 H LEU A 57 0.960 -18.862 -4.594 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.042 -18.916 -4.463 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.457 -16.270 -3.043 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.628 -17.558 -3.240 1.00 1.00 H new ATOM 0 HG LEU A 57 0.006 -17.851 -1.800 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -1.321 -17.785 0.329 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.402 -16.254 -0.574 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -2.773 -17.388 -0.619 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -0.929 -19.900 -0.789 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -2.368 -19.730 -1.824 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -0.770 -20.003 -2.559 1.00 1.00 H new ATOM 893 N HIS A 58 -0.455 -16.132 -5.982 1.00 1.00 N ATOM 894 CA HIS A 58 -0.592 -15.402 -7.206 1.00 1.00 C ATOM 895 C HIS A 58 -1.642 -14.346 -7.173 1.00 1.00 C ATOM 896 O HIS A 58 -2.461 -14.233 -8.084 1.00 1.00 O ATOM 897 CB HIS A 58 -0.793 -16.343 -8.407 1.00 1.00 C ATOM 898 CG HIS A 58 -0.030 -15.944 -9.635 1.00 1.00 C ATOM 899 ND1 HIS A 58 -0.574 -15.836 -10.887 1.00 1.00 N ATOM 900 CD2 HIS A 58 1.318 -15.848 -9.781 1.00 1.00 C ATOM 901 CE1 HIS A 58 0.404 -15.688 -11.761 1.00 1.00 C ATOM 902 NE2 HIS A 58 1.559 -15.709 -11.123 1.00 1.00 N ATOM 0 H HIS A 58 0.361 -15.836 -5.446 1.00 1.00 H new ATOM 0 HA HIS A 58 0.354 -14.875 -7.330 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -0.494 -17.351 -8.119 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -1.855 -16.383 -8.650 1.00 1.00 H new ATOM 0 HD2 HIS A 58 2.056 -15.876 -8.993 1.00 1.00 H new ATOM 0 HE1 HIS A 58 0.279 -15.569 -12.827 1.00 1.00 H new ATOM 0 HE2 HIS A 58 2.479 -15.634 -11.557 1.00 1.00 H new ATOM 910 N GLN A 59 -1.668 -13.511 -6.119 1.00 1.00 N ATOM 911 CA GLN A 59 -2.616 -12.449 -5.990 1.00 1.00 C ATOM 912 C GLN A 59 -2.084 -11.465 -5.006 1.00 1.00 C ATOM 913 O GLN A 59 -1.310 -11.821 -4.121 1.00 1.00 O ATOM 914 CB GLN A 59 -3.992 -12.964 -5.535 1.00 1.00 C ATOM 915 CG GLN A 59 -5.129 -11.960 -5.725 1.00 1.00 C ATOM 916 CD GLN A 59 -6.494 -12.598 -5.515 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.809 -13.195 -4.485 1.00 1.00 O ATOM 918 NE2 GLN A 59 -7.379 -12.424 -6.533 1.00 1.00 N ATOM 0 H GLN A 59 -1.015 -13.576 -5.338 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.757 -11.980 -6.964 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -4.229 -13.873 -6.088 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -3.935 -13.237 -4.481 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -5.004 -11.134 -5.025 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -5.076 -11.538 -6.729 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -7.095 -11.926 -7.376 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -8.327 -12.792 -6.453 1.00 1.00 H new ATOM 927 N VAL A 60 -2.461 -10.179 -5.126 1.00 1.00 N ATOM 928 CA VAL A 60 -2.044 -9.122 -4.259 1.00 1.00 C ATOM 929 C VAL A 60 -3.234 -8.494 -3.619 1.00 1.00 C ATOM 930 O VAL A 60 -4.334 -8.567 -4.165 1.00 1.00 O ATOM 931 CB VAL A 60 -1.280 -8.075 -5.014 1.00 1.00 C ATOM 932 CG1 VAL A 60 -0.604 -7.061 -4.075 1.00 1.00 C ATOM 933 CG2 VAL A 60 -0.172 -8.730 -5.854 1.00 1.00 C ATOM 0 H VAL A 60 -3.088 -9.862 -5.865 1.00 1.00 H new ATOM 0 HA VAL A 60 -1.392 -9.548 -3.496 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.004 -7.558 -5.644 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -0.063 -6.322 -4.666 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -1.363 -6.560 -3.474 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.093 -7.582 -3.418 1.00 1.00 H new ATOM 0 HG21 VAL A 60 0.376 -7.960 -6.398 1.00 1.00 H new ATOM 0 HG22 VAL A 60 0.513 -9.267 -5.198 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -0.617 -9.428 -6.563 1.00 1.00 H new ATOM 943 N TRP A 61 -3.089 -7.829 -2.458 1.00 1.00 N ATOM 944 CA TRP A 61 -4.125 -7.029 -1.881 1.00 1.00 C ATOM 945 C TRP A 61 -3.921 -5.582 -2.172 1.00 1.00 C ATOM 946 O TRP A 61 -2.800 -5.130 -2.398 1.00 1.00 O ATOM 947 CB TRP A 61 -4.326 -7.357 -0.393 1.00 1.00 C ATOM 948 CG TRP A 61 -3.857 -6.406 0.682 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.822 -5.519 0.648 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.556 -6.161 1.917 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.854 -4.705 1.750 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.892 -5.106 2.559 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.664 -6.740 2.473 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.331 -4.642 3.767 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.100 -6.255 3.683 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.446 -5.227 4.319 1.00 1.00 C ATOM 0 H TRP A 61 -2.231 -7.848 -1.907 1.00 1.00 H new ATOM 0 HA TRP A 61 -5.070 -7.286 -2.359 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -5.395 -7.509 -0.241 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.838 -8.314 -0.208 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -2.082 -5.465 -0.136 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -2.216 -3.932 1.939 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.178 -7.550 1.978 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.817 -3.839 4.274 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.974 -6.691 4.143 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.815 -4.872 5.270 1.00 1.00 H new ATOM 967 N LEU A 62 -4.994 -4.771 -2.201 1.00 1.00 N ATOM 968 CA LEU A 62 -4.874 -3.369 -2.455 1.00 1.00 C ATOM 969 C LEU A 62 -5.759 -2.609 -1.528 1.00 1.00 C ATOM 970 O LEU A 62 -6.921 -2.342 -1.827 1.00 1.00 O ATOM 971 CB LEU A 62 -5.282 -3.183 -3.927 1.00 1.00 C ATOM 972 CG LEU A 62 -4.536 -2.146 -4.783 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.846 -0.688 -4.404 1.00 1.00 C ATOM 974 CD2 LEU A 62 -3.021 -2.408 -4.823 1.00 1.00 C ATOM 0 H LEU A 62 -5.951 -5.089 -2.047 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.864 -2.995 -2.287 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -5.182 -4.150 -4.421 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -6.341 -2.924 -3.945 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.924 -2.280 -5.793 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.283 -0.016 -5.052 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.913 -0.499 -4.525 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.563 -0.514 -3.366 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.537 -1.650 -5.439 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.617 -2.365 -3.811 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.833 -3.395 -5.247 1.00 1.00 H new ATOM 986 N ALA A 63 -5.257 -2.197 -0.349 1.00 1.00 N ATOM 987 CA ALA A 63 -5.992 -1.386 0.570 1.00 1.00 C ATOM 988 C ALA A 63 -5.530 0.031 0.552 1.00 1.00 C ATOM 989 O ALA A 63 -4.355 0.363 0.400 1.00 1.00 O ATOM 990 CB ALA A 63 -6.021 -2.006 1.978 1.00 1.00 C ATOM 0 H ALA A 63 -4.318 -2.434 -0.028 1.00 1.00 H new ATOM 0 HA ALA A 63 -7.029 -1.361 0.235 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.589 -1.361 2.648 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.493 -2.988 1.934 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.002 -2.110 2.351 1.00 1.00 H new ATOM 996 N THR A 64 -6.516 0.940 0.634 1.00 1.00 N ATOM 997 CA THR A 64 -6.425 2.329 0.308 1.00 1.00 C ATOM 998 C THR A 64 -7.410 3.017 1.188 1.00 1.00 C ATOM 999 O THR A 64 -7.471 2.772 2.392 1.00 1.00 O ATOM 1000 CB THR A 64 -6.625 2.659 -1.141 1.00 1.00 C ATOM 1001 OG1 THR A 64 -7.893 2.310 -1.676 1.00 1.00 O ATOM 1002 CG2 THR A 64 -5.629 1.912 -2.044 1.00 1.00 C ATOM 0 H THR A 64 -7.450 0.683 0.953 1.00 1.00 H new ATOM 0 HA THR A 64 -5.406 2.673 0.483 1.00 1.00 H new ATOM 0 HB THR A 64 -6.497 3.742 -1.144 1.00 1.00 H new ATOM 0 HG1 THR A 64 -7.930 2.564 -2.622 1.00 1.00 H new ATOM 0 HG21 THR A 64 -5.810 2.180 -3.085 1.00 1.00 H new ATOM 0 HG22 THR A 64 -4.611 2.188 -1.769 1.00 1.00 H new ATOM 0 HG23 THR A 64 -5.760 0.837 -1.919 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.277 3.879 0.627 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.447 4.396 1.267 1.00 1.00 C ATOM 1012 C LYS A 65 -10.594 3.458 1.116 1.00 1.00 C ATOM 1013 O LYS A 65 -11.402 3.274 2.025 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.832 5.742 0.631 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.363 6.802 1.598 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.696 6.447 2.261 1.00 1.00 C ATOM 1017 CE LYS A 65 -12.383 7.633 2.940 1.00 1.00 C ATOM 1018 NZ LYS A 65 -13.507 7.165 3.782 1.00 1.00 N ATOM 0 H LYS A 65 -8.155 4.233 -0.322 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.224 4.524 2.326 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -8.957 6.146 0.122 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.589 5.560 -0.132 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.619 6.971 2.376 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.479 7.742 1.058 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.367 6.033 1.508 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.526 5.665 3.001 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -11.663 8.177 3.552 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.750 8.329 2.186 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -13.964 7.981 4.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.201 6.666 3.189 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -13.147 6.518 4.513 1.00 1.00 H new ATOM 1032 N GLN A 66 -10.737 2.839 -0.070 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.024 2.444 -0.552 1.00 1.00 C ATOM 1034 C GLN A 66 -12.565 1.195 0.053 1.00 1.00 C ATOM 1035 O GLN A 66 -13.777 1.068 0.221 1.00 1.00 O ATOM 1036 CB GLN A 66 -11.931 2.283 -2.079 1.00 1.00 C ATOM 1037 CG GLN A 66 -13.244 2.480 -2.842 1.00 1.00 C ATOM 1038 CD GLN A 66 -13.588 3.944 -3.081 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -14.415 4.546 -2.398 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -12.947 4.545 -4.117 1.00 1.00 N ATOM 0 H GLN A 66 -9.963 2.612 -0.694 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.725 3.226 -0.259 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -11.200 2.996 -2.459 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -11.548 1.286 -2.300 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -13.179 1.968 -3.802 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -14.054 2.010 -2.285 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -12.265 4.022 -4.667 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -13.147 5.519 -4.345 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.697 0.296 0.551 1.00 1.00 N ATOM 1050 CA GLY A 67 -12.136 -0.873 1.248 1.00 1.00 C ATOM 1051 C GLY A 67 -11.041 -1.849 1.502 1.00 1.00 C ATOM 1052 O GLY A 67 -10.830 -2.297 2.629 1.00 1.00 O ATOM 0 H GLY A 67 -10.684 0.380 0.470 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -12.578 -0.577 2.199 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.921 -1.360 0.670 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.304 -2.217 0.438 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.296 -3.232 0.443 1.00 1.00 C ATOM 1058 C GLY A 68 -9.673 -4.358 -0.457 1.00 1.00 C ATOM 1059 O GLY A 68 -10.389 -5.282 -0.074 1.00 1.00 O ATOM 0 H GLY A 68 -10.419 -1.781 -0.477 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.345 -2.807 0.122 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -9.153 -3.604 1.458 1.00 1.00 H new ATOM 1063 N TYR A 69 -9.204 -4.294 -1.716 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.686 -5.121 -2.778 1.00 1.00 C ATOM 1065 C TYR A 69 -8.529 -5.884 -3.328 1.00 1.00 C ATOM 1066 O TYR A 69 -7.428 -5.344 -3.417 1.00 1.00 O ATOM 1067 CB TYR A 69 -10.272 -4.227 -3.883 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.294 -3.253 -3.403 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -12.181 -3.528 -2.390 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.398 -2.050 -4.061 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.169 -2.635 -2.049 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.371 -1.141 -3.723 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.265 -1.440 -2.722 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.325 -0.553 -2.437 1.00 1.00 O ATOM 0 H TYR A 69 -8.468 -3.648 -2.003 1.00 1.00 H new ATOM 0 HA TYR A 69 -10.456 -5.803 -2.415 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -9.460 -3.679 -4.360 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -10.721 -4.861 -4.648 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -12.101 -4.461 -1.853 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.704 -1.816 -4.855 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.865 -2.871 -1.258 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.433 -0.196 -4.241 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.185 -0.148 -1.556 1.00 1.00 H new ATOM 1084 N HIS A 70 -8.676 -7.155 -3.743 1.00 1.00 N ATOM 1085 CA HIS A 70 -7.588 -7.896 -4.300 1.00 1.00 C ATOM 1086 C HIS A 70 -7.458 -7.752 -5.777 1.00 1.00 C ATOM 1087 O HIS A 70 -8.332 -7.213 -6.453 1.00 1.00 O ATOM 1088 CB HIS A 70 -7.489 -9.354 -3.821 1.00 1.00 C ATOM 1089 CG HIS A 70 -8.783 -10.019 -3.455 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -9.590 -10.707 -4.323 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -9.395 -10.060 -2.240 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -10.651 -11.143 -3.669 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -10.566 -10.752 -2.411 1.00 1.00 N ATOM 0 H HIS A 70 -9.554 -7.672 -3.692 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.705 -7.414 -3.880 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -7.012 -9.941 -4.606 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.830 -9.386 -2.954 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -9.402 -10.858 -5.314 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -9.029 -9.630 -1.319 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -11.456 -11.724 -4.094 1.00 1.00 H new ATOM 1101 N PHE A 71 -6.257 -8.083 -6.284 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.704 -7.476 -7.454 1.00 1.00 C ATOM 1103 C PHE A 71 -5.030 -8.488 -8.315 1.00 1.00 C ATOM 1104 O PHE A 71 -4.148 -9.200 -7.840 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.701 -6.492 -6.829 1.00 1.00 C ATOM 1106 CG PHE A 71 -4.179 -5.378 -7.671 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -5.043 -4.507 -8.291 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.834 -5.092 -7.639 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -4.574 -3.337 -8.839 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -2.353 -3.932 -8.200 1.00 1.00 C ATOM 1111 CZ PHE A 71 -3.230 -3.047 -8.783 1.00 1.00 C ATOM 0 H PHE A 71 -5.654 -8.793 -5.868 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.434 -7.004 -8.112 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -5.173 -6.051 -5.951 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.846 -7.069 -6.476 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -6.095 -4.743 -8.348 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.150 -5.784 -7.170 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -5.258 -2.648 -9.312 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -1.295 -3.718 -8.183 1.00 1.00 H new ATOM 0 HZ PHE A 71 -2.862 -2.121 -9.199 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.406 -8.593 -9.603 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.806 -9.498 -10.535 1.00 1.00 C ATOM 1123 C ASP A 72 -4.350 -8.756 -11.743 1.00 1.00 C ATOM 1124 O ASP A 72 -4.807 -7.652 -12.036 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.784 -10.569 -11.046 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.242 -11.613 -10.039 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -6.885 -11.307 -8.999 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.051 -12.812 -10.376 1.00 1.00 O ATOM 0 H ASP A 72 -6.153 -8.029 -10.009 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.986 -9.973 -9.996 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.667 -10.064 -11.438 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.315 -11.086 -11.883 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.442 -9.335 -12.550 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.962 -8.785 -13.780 1.00 1.00 C ATOM 1135 C LEU A 73 -3.721 -9.348 -14.932 1.00 1.00 C ATOM 1136 O LEU A 73 -3.751 -10.558 -15.147 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.463 -9.097 -13.932 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.794 -8.674 -15.252 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.876 -7.162 -15.515 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.682 -9.106 -15.248 1.00 1.00 C ATOM 0 H LEU A 73 -3.020 -10.237 -12.331 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.107 -7.705 -13.767 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.931 -8.614 -13.112 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.326 -10.172 -13.812 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.342 -9.171 -16.052 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.386 -6.930 -16.461 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.921 -6.857 -15.564 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.379 -6.625 -14.707 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.152 -8.805 -16.184 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.198 -8.631 -14.414 1.00 1.00 H new ATOM 0 HD23 LEU A 73 0.744 -10.189 -15.143 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.367 -8.486 -15.736 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.054 -8.896 -16.921 1.00 1.00 C ATOM 1154 C LYS A 74 -4.155 -8.997 -18.104 1.00 1.00 C ATOM 1155 O LYS A 74 -4.167 -9.997 -18.820 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.226 -7.941 -17.210 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.521 -8.402 -16.539 1.00 1.00 C ATOM 1158 CD LYS A 74 -8.165 -9.660 -17.126 1.00 1.00 C ATOM 1159 CE LYS A 74 -8.737 -9.476 -18.533 1.00 1.00 C ATOM 1160 NZ LYS A 74 -9.341 -10.741 -19.010 1.00 1.00 N ATOM 0 H LYS A 74 -4.413 -7.482 -15.559 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.440 -9.899 -16.738 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -5.973 -6.940 -16.860 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -6.380 -7.872 -18.287 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.317 -8.580 -15.483 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -8.244 -7.588 -16.591 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -7.422 -10.457 -17.150 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -8.964 -9.989 -16.462 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.488 -8.686 -18.528 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -7.948 -9.161 -19.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -9.726 -10.603 -19.966 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -8.615 -11.485 -19.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -10.107 -11.024 -18.366 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.332 -7.962 -18.355 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.418 -7.974 -19.454 1.00 1.00 C ATOM 1176 C GLY A 75 -1.496 -6.804 -19.390 1.00 1.00 C ATOM 1177 O GLY A 75 -0.311 -6.920 -19.079 1.00 1.00 O ATOM 0 H GLY A 75 -3.301 -7.112 -17.792 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -1.841 -8.898 -19.442 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -2.971 -7.956 -20.393 1.00 1.00 H new ATOM 1181 N ASP A 76 -2.036 -5.596 -19.627 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.310 -4.365 -19.590 1.00 1.00 C ATOM 1183 C ASP A 76 -1.334 -3.769 -18.224 1.00 1.00 C ATOM 1184 O ASP A 76 -0.419 -3.054 -17.819 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.857 -3.380 -20.635 1.00 1.00 C ATOM 1186 CG ASP A 76 -3.354 -3.108 -20.602 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -4.144 -3.931 -20.065 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -3.770 -2.071 -21.183 1.00 1.00 O ATOM 0 H ASP A 76 -3.022 -5.472 -19.855 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.270 -4.577 -19.839 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -1.336 -2.430 -20.513 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.602 -3.758 -21.625 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.377 -4.064 -17.428 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.712 -3.342 -16.241 1.00 1.00 C ATOM 1195 C GLU A 77 -3.409 -4.346 -15.388 1.00 1.00 C ATOM 1196 O GLU A 77 -3.910 -5.376 -15.837 1.00 1.00 O ATOM 1197 CB GLU A 77 -3.553 -2.089 -16.538 1.00 1.00 C ATOM 1198 CG GLU A 77 -2.692 -0.828 -16.652 1.00 1.00 C ATOM 1199 CD GLU A 77 -3.346 0.295 -17.444 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -4.497 0.693 -17.123 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -2.695 0.816 -18.388 1.00 1.00 O ATOM 0 H GLU A 77 -3.013 -4.838 -17.620 1.00 1.00 H new ATOM 0 HA GLU A 77 -1.837 -2.934 -15.735 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.104 -2.235 -17.467 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.291 -1.953 -15.747 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -2.461 -0.466 -15.650 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -1.744 -1.088 -17.124 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.362 -4.073 -14.071 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.929 -4.909 -13.059 1.00 1.00 C ATOM 1210 C TRP A 78 -5.357 -4.509 -12.910 1.00 1.00 C ATOM 1211 O TRP A 78 -5.686 -3.342 -12.701 1.00 1.00 O ATOM 1212 CB TRP A 78 -3.139 -4.810 -11.743 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.734 -5.365 -11.788 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.659 -4.968 -12.528 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -1.266 -6.441 -10.954 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.436 -5.736 -12.231 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.086 -6.641 -11.258 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.890 -7.201 -10.003 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 0.815 -7.602 -10.611 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -1.148 -8.157 -9.352 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.181 -8.351 -9.649 1.00 1.00 C ATOM 0 H TRP A 78 -2.912 -3.238 -13.697 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.874 -5.960 -13.343 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -3.088 -3.762 -11.447 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.694 -5.334 -10.965 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.670 -4.162 -13.247 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.357 -5.650 -12.660 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.934 -7.054 -9.771 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 1.856 -7.766 -10.849 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.617 -8.767 -8.594 1.00 1.00 H new ATOM 0 HH2 TRP A 78 0.737 -9.107 -9.115 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.279 -5.474 -13.075 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.685 -5.282 -12.904 1.00 1.00 C ATOM 1234 C ILE A 79 -8.025 -5.843 -11.565 1.00 1.00 C ATOM 1235 O ILE A 79 -7.533 -6.874 -11.108 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.496 -5.821 -14.045 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.133 -4.954 -15.262 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -10.008 -5.814 -13.755 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.167 -4.880 -16.386 1.00 1.00 C ATOM 0 H ILE A 79 -6.034 -6.428 -13.339 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.946 -4.224 -12.926 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.264 -6.871 -14.223 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.938 -3.940 -14.912 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -7.200 -5.331 -15.682 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -10.545 -6.215 -14.615 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -10.213 -6.430 -12.880 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -10.337 -4.792 -13.565 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -8.792 -4.239 -17.184 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -9.349 -5.880 -16.779 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -10.098 -4.468 -15.997 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.868 -5.084 -10.842 1.00 1.00 N ATOM 1252 CA CYS A 80 -9.234 -5.413 -9.501 1.00 1.00 C ATOM 1253 C CYS A 80 -10.240 -6.511 -9.503 1.00 1.00 C ATOM 1254 O CYS A 80 -11.068 -6.621 -10.407 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.783 -4.178 -8.767 1.00 1.00 C ATOM 1256 SG CYS A 80 -8.511 -2.882 -8.678 1.00 1.00 S ATOM 0 H CYS A 80 -9.301 -4.230 -11.194 1.00 1.00 H new ATOM 0 HA CYS A 80 -8.344 -5.752 -8.970 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.663 -3.799 -9.287 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -10.101 -4.455 -7.762 1.00 1.00 H new ATOM 0 HG CYS A 80 -8.260 -2.605 -7.433 1.00 1.00 H new ATOM 1262 N ASP A 81 -10.205 -7.403 -8.499 1.00 1.00 N ATOM 1263 CA ASP A 81 -11.021 -8.576 -8.428 1.00 1.00 C ATOM 1264 C ASP A 81 -12.438 -8.250 -8.101 1.00 1.00 C ATOM 1265 O ASP A 81 -13.377 -8.763 -8.709 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.358 -9.508 -7.402 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.841 -10.953 -7.441 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.853 -11.274 -8.118 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.181 -11.792 -6.771 1.00 1.00 O ATOM 0 H ASP A 81 -9.580 -7.303 -7.699 1.00 1.00 H new ATOM 0 HA ASP A 81 -11.080 -9.075 -9.395 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.280 -9.496 -7.565 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.534 -9.108 -6.403 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.677 -7.344 -7.136 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.995 -6.912 -6.789 1.00 1.00 C ATOM 1276 C ARG A 82 -14.487 -5.907 -7.772 1.00 1.00 C ATOM 1277 O ARG A 82 -13.754 -4.998 -8.160 1.00 1.00 O ATOM 1278 CB ARG A 82 -14.067 -6.417 -5.334 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.817 -4.934 -5.059 1.00 1.00 C ATOM 1280 CD ARG A 82 -15.106 -4.111 -5.023 1.00 1.00 C ATOM 1281 NE ARG A 82 -14.875 -2.696 -5.430 1.00 1.00 N ATOM 1282 CZ ARG A 82 -15.826 -1.726 -5.294 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -17.063 -1.982 -4.778 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.534 -0.463 -5.719 1.00 1.00 N ATOM 0 H ARG A 82 -11.940 -6.903 -6.586 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.667 -7.769 -6.842 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -15.056 -6.665 -4.947 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -13.345 -6.989 -4.752 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.298 -4.829 -4.107 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -13.157 -4.533 -5.828 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -15.844 -4.563 -5.686 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -15.524 -4.135 -4.017 1.00 1.00 H new ATOM 0 HE ARG A 82 -13.970 -2.442 -5.826 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -17.305 -2.926 -4.477 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -17.746 -1.229 -4.693 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -14.622 -0.261 -6.128 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -16.228 0.279 -5.628 1.00 1.00 H new ATOM 1298 N SER A 83 -15.742 -6.052 -8.234 1.00 1.00 N ATOM 1299 CA SER A 83 -16.402 -5.203 -9.177 1.00 1.00 C ATOM 1300 C SER A 83 -15.838 -5.187 -10.555 1.00 1.00 C ATOM 1301 O SER A 83 -16.480 -5.606 -11.518 1.00 1.00 O ATOM 1302 CB SER A 83 -16.609 -3.772 -8.653 1.00 1.00 C ATOM 1303 OG SER A 83 -17.552 -3.051 -9.431 1.00 1.00 O ATOM 0 H SER A 83 -16.338 -6.820 -7.925 1.00 1.00 H new ATOM 0 HA SER A 83 -17.375 -5.683 -9.280 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.948 -3.811 -7.618 1.00 1.00 H new ATOM 0 HB3 SER A 83 -15.656 -3.243 -8.657 1.00 1.00 H new ATOM 0 HG SER A 83 -17.656 -2.148 -9.065 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.606 -4.671 -10.709 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.983 -4.328 -11.950 1.00 1.00 C ATOM 1311 C GLY A 84 -13.444 -2.946 -11.813 1.00 1.00 C ATOM 1312 O GLY A 84 -14.139 -1.971 -12.090 1.00 1.00 O ATOM 0 H GLY A 84 -14.003 -4.480 -9.909 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -13.183 -5.030 -12.184 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.702 -4.380 -12.767 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.188 -2.831 -11.348 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.510 -1.591 -11.125 1.00 1.00 C ATOM 1318 C GLU A 85 -10.126 -1.807 -11.632 1.00 1.00 C ATOM 1319 O GLU A 85 -9.876 -2.771 -12.355 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.597 -1.063 -9.683 1.00 1.00 C ATOM 1321 CG GLU A 85 -13.012 -0.629 -9.296 1.00 1.00 C ATOM 1322 CD GLU A 85 -13.112 -0.103 -7.873 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -13.149 -0.931 -6.922 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -13.232 1.141 -7.703 1.00 1.00 O ATOM 0 H GLU A 85 -11.616 -3.643 -11.116 1.00 1.00 H new ATOM 0 HA GLU A 85 -11.996 -0.777 -11.663 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.259 -1.839 -8.996 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -10.918 -0.218 -9.569 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -13.349 0.144 -9.986 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -13.689 -1.476 -9.411 1.00 1.00 H new ATOM 1331 N THR A 86 -9.155 -0.915 -11.363 1.00 1.00 N ATOM 1332 CA THR A 86 -8.073 -0.741 -12.281 1.00 1.00 C ATOM 1333 C THR A 86 -6.861 -0.217 -11.589 1.00 1.00 C ATOM 1334 O THR A 86 -6.979 0.792 -10.895 1.00 1.00 O ATOM 1335 CB THR A 86 -8.412 0.312 -13.292 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.648 0.061 -13.942 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.367 0.387 -14.419 1.00 1.00 C ATOM 0 H THR A 86 -9.118 -0.327 -10.530 1.00 1.00 H new ATOM 0 HA THR A 86 -7.895 -1.717 -12.733 1.00 1.00 H new ATOM 0 HB THR A 86 -8.450 1.237 -12.717 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.827 0.774 -14.590 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.653 1.163 -15.129 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.391 0.624 -13.995 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.316 -0.573 -14.932 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.664 -0.804 -11.771 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.376 -0.409 -11.294 1.00 1.00 C ATOM 1347 C PHE A 87 -4.110 1.026 -10.989 1.00 1.00 C ATOM 1348 O PHE A 87 -4.336 1.515 -9.884 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.362 -0.939 -12.322 1.00 1.00 C ATOM 1350 CG PHE A 87 -1.913 -0.949 -11.979 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.388 -0.575 -10.763 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.051 -1.373 -12.964 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -0.035 -0.638 -10.528 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.302 -1.455 -12.741 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.809 -1.093 -11.514 1.00 1.00 C ATOM 0 H PHE A 87 -5.597 -1.660 -12.321 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.296 -0.837 -10.295 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.648 -1.962 -12.566 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.479 -0.350 -13.231 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -2.048 -0.227 -9.982 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.446 -1.647 -13.931 1.00 1.00 H new ATOM 0 HE1 PHE A 87 0.364 -0.331 -9.572 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.963 -1.801 -13.522 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.870 -1.166 -11.325 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.586 1.780 -11.973 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.087 3.103 -11.764 1.00 1.00 C ATOM 1367 C TRP A 88 -4.214 4.053 -11.534 1.00 1.00 C ATOM 1368 O TRP A 88 -4.062 5.077 -10.871 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.257 3.589 -12.964 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.030 2.780 -13.309 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.762 2.048 -14.430 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.159 2.722 -12.498 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.513 1.551 -14.379 1.00 1.00 N ATOM 1374 CE2 TRP A 88 1.093 1.949 -13.198 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.467 3.268 -11.281 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.337 1.717 -12.680 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.722 3.029 -10.774 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.641 2.267 -11.457 1.00 1.00 C ATOM 0 H TRP A 88 -3.508 1.461 -12.939 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.444 3.072 -10.885 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.906 3.614 -13.839 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.945 4.615 -12.769 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.456 1.884 -15.241 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.958 0.980 -15.098 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.251 3.865 -10.738 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 3.060 1.119 -13.216 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 1.993 3.449 -9.817 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.617 2.098 -11.026 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.396 3.721 -12.082 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.607 4.471 -11.957 1.00 1.00 C ATOM 1391 C ASP A 89 -7.163 4.459 -10.575 1.00 1.00 C ATOM 1392 O ASP A 89 -7.470 5.509 -10.014 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.633 3.956 -12.980 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.184 5.110 -13.803 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -7.477 5.565 -14.741 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -9.319 5.581 -13.520 1.00 1.00 O ATOM 0 H ASP A 89 -5.513 2.879 -12.646 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.374 5.515 -12.168 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.165 3.223 -13.637 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.447 3.447 -12.464 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.305 3.278 -9.946 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.874 3.150 -8.641 1.00 1.00 C ATOM 1403 C LEU A 90 -6.975 3.706 -7.590 1.00 1.00 C ATOM 1404 O LEU A 90 -7.377 4.425 -6.678 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.391 1.758 -8.243 1.00 1.00 C ATOM 1406 CG LEU A 90 -7.679 0.884 -7.195 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -8.711 -0.024 -6.507 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -6.533 0.042 -7.779 1.00 1.00 C ATOM 0 H LEU A 90 -7.017 2.390 -10.356 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.779 3.753 -8.710 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.415 1.893 -7.894 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -8.441 1.169 -9.159 1.00 1.00 H new ATOM 0 HG LEU A 90 -7.220 1.558 -6.471 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -8.211 -0.645 -5.764 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -9.467 0.590 -6.018 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -9.188 -0.662 -7.251 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -6.075 -0.549 -6.986 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -6.926 -0.624 -8.548 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -5.784 0.701 -8.218 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.678 3.388 -7.748 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.584 3.877 -6.968 1.00 1.00 C ATOM 1422 C LEU A 91 -4.532 5.364 -6.909 1.00 1.00 C ATOM 1423 O LEU A 91 -4.482 5.950 -5.828 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.261 3.307 -7.505 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.017 3.527 -6.628 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -2.084 2.724 -5.317 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -0.749 3.139 -7.407 1.00 1.00 C ATOM 0 H LEU A 91 -5.373 2.741 -8.475 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.740 3.535 -5.945 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.387 2.235 -7.657 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.071 3.747 -8.484 1.00 1.00 H new ATOM 0 HG LEU A 91 -1.985 4.585 -6.369 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.185 2.910 -4.730 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -2.960 3.032 -4.746 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -2.155 1.660 -5.545 1.00 1.00 H new ATOM 0 HD21 LEU A 91 0.127 3.298 -6.778 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -0.805 2.089 -7.693 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -0.669 3.755 -8.303 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.612 6.033 -8.074 1.00 1.00 N ATOM 1440 CA GLU A 92 -4.708 7.450 -8.242 1.00 1.00 C ATOM 1441 C GLU A 92 -5.879 8.081 -7.572 1.00 1.00 C ATOM 1442 O GLU A 92 -5.705 8.985 -6.755 1.00 1.00 O ATOM 1443 CB GLU A 92 -4.733 7.762 -9.748 1.00 1.00 C ATOM 1444 CG GLU A 92 -4.984 9.203 -10.195 1.00 1.00 C ATOM 1445 CD GLU A 92 -6.264 9.336 -11.008 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -6.473 8.520 -11.944 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -7.065 10.270 -10.737 1.00 1.00 O ATOM 0 H GLU A 92 -4.609 5.542 -8.968 1.00 1.00 H new ATOM 0 HA GLU A 92 -3.835 7.882 -7.753 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -3.777 7.448 -10.167 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -5.501 7.136 -10.203 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.043 9.849 -9.319 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.139 9.550 -10.790 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.119 7.641 -7.852 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.291 8.235 -7.287 1.00 1.00 C ATOM 1456 C GLN A 93 -8.386 8.102 -5.806 1.00 1.00 C ATOM 1457 O GLN A 93 -8.670 9.056 -5.083 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.578 7.724 -7.958 1.00 1.00 C ATOM 1459 CG GLN A 93 -9.860 6.230 -7.789 1.00 1.00 C ATOM 1460 CD GLN A 93 -10.916 5.670 -8.730 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -11.936 5.127 -8.304 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -10.637 5.741 -10.059 1.00 1.00 N ATOM 0 H GLN A 93 -7.311 6.861 -8.480 1.00 1.00 H new ATOM 0 HA GLN A 93 -8.188 9.300 -7.494 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -10.423 8.283 -7.556 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -9.525 7.948 -9.023 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -8.931 5.680 -7.939 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -10.176 6.048 -6.762 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -9.783 6.198 -10.377 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -11.282 5.337 -10.738 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.074 6.907 -5.273 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.016 6.641 -3.869 1.00 1.00 C ATOM 1473 C ALA A 94 -6.972 7.440 -3.166 1.00 1.00 C ATOM 1474 O ALA A 94 -7.259 8.097 -2.166 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.837 5.133 -3.626 1.00 1.00 C ATOM 0 H ALA A 94 -7.853 6.092 -5.845 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.966 6.957 -3.438 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.794 4.940 -2.554 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.679 4.592 -4.059 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.911 4.797 -4.093 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.731 7.496 -3.682 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.681 8.283 -3.118 1.00 1.00 C ATOM 1483 C ALA A 95 -4.959 9.746 -3.144 1.00 1.00 C ATOM 1484 O ALA A 95 -4.649 10.459 -2.190 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.344 8.006 -3.830 1.00 1.00 C ATOM 0 H ALA A 95 -5.451 6.979 -4.515 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.617 7.982 -2.072 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.560 8.617 -3.383 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.087 6.952 -3.724 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.437 8.253 -4.888 1.00 1.00 H new ATOM 1491 N THR A 96 -5.622 10.241 -4.204 1.00 1.00 N ATOM 1492 CA THR A 96 -6.095 11.584 -4.335 1.00 1.00 C ATOM 1493 C THR A 96 -7.023 11.971 -3.235 1.00 1.00 C ATOM 1494 O THR A 96 -6.810 12.978 -2.562 1.00 1.00 O ATOM 1495 CB THR A 96 -6.755 11.858 -5.654 1.00 1.00 C ATOM 1496 OG1 THR A 96 -5.830 11.681 -6.717 1.00 1.00 O ATOM 1497 CG2 THR A 96 -7.280 13.300 -5.763 1.00 1.00 C ATOM 0 H THR A 96 -5.841 9.668 -5.019 1.00 1.00 H new ATOM 0 HA THR A 96 -5.195 12.195 -4.274 1.00 1.00 H new ATOM 0 HB THR A 96 -7.588 11.158 -5.721 1.00 1.00 H new ATOM 0 HG1 THR A 96 -5.852 10.749 -7.018 1.00 1.00 H new ATOM 0 HG21 THR A 96 -7.748 13.444 -6.737 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.014 13.480 -4.977 1.00 1.00 H new ATOM 0 HG23 THR A 96 -6.451 13.999 -5.652 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.072 11.175 -2.967 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.013 11.472 -1.932 1.00 1.00 C ATOM 1507 C GLN A 97 -8.482 11.330 -0.546 1.00 1.00 C ATOM 1508 O GLN A 97 -8.873 12.062 0.362 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.347 10.728 -2.108 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.311 9.208 -1.930 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.671 8.547 -2.090 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -12.202 7.911 -1.181 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -12.257 8.655 -3.313 1.00 1.00 N ATOM 0 H GLN A 97 -8.271 10.313 -3.475 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.211 12.537 -2.056 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.063 11.138 -1.395 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.730 10.946 -3.105 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -9.620 8.781 -2.657 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.917 8.975 -0.941 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -11.799 9.187 -4.053 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.154 8.204 -3.490 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.533 10.409 -0.299 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.799 10.312 0.924 1.00 1.00 C ATOM 1524 C GLN A 98 -5.892 11.460 1.201 1.00 1.00 C ATOM 1525 O GLN A 98 -5.870 11.970 2.320 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.966 9.019 0.916 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.869 7.785 0.953 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.079 6.485 0.890 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -5.885 5.891 -0.170 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -5.632 5.999 2.079 1.00 1.00 N ATOM 0 H GLN A 98 -7.266 9.701 -0.983 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.547 10.314 1.716 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -5.341 8.990 0.023 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.295 9.009 1.775 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -7.464 7.801 1.866 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -7.567 7.824 0.117 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -5.809 6.516 2.940 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -5.119 5.118 2.109 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.095 11.899 0.210 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.126 12.938 0.357 1.00 1.00 C ATOM 1541 C ALA A 99 -4.707 14.311 0.354 1.00 1.00 C ATOM 1542 O ALA A 99 -4.360 15.135 1.199 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.088 12.826 -0.772 1.00 1.00 C ATOM 0 H ALA A 99 -5.128 11.513 -0.733 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.667 12.797 1.336 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.346 13.617 -0.664 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.594 11.856 -0.717 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.587 12.926 -1.736 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.604 14.613 -0.601 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.179 15.909 -0.792 1.00 1.00 C ATOM 1551 C GLY A 100 -5.535 16.687 -1.887 1.00 1.00 C ATOM 1552 O GLY A 100 -5.572 17.917 -1.884 1.00 1.00 O ATOM 0 H GLY A 100 -5.944 13.923 -1.271 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.241 15.798 -1.011 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.102 16.473 0.138 1.00 1.00 H new ATOM 1556 N GLU A 101 -4.912 15.997 -2.859 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.342 16.584 -4.031 1.00 1.00 C ATOM 1558 C GLU A 101 -4.175 15.481 -5.018 1.00 1.00 C ATOM 1559 O GLU A 101 -4.179 14.316 -4.621 1.00 1.00 O ATOM 1560 CB GLU A 101 -3.000 17.296 -3.793 1.00 1.00 C ATOM 1561 CG GLU A 101 -1.865 16.425 -3.252 1.00 1.00 C ATOM 1562 CD GLU A 101 -0.543 17.180 -3.258 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -0.139 17.638 -4.361 1.00 1.00 O ATOM 1564 OE2 GLU A 101 0.106 17.307 -2.185 1.00 1.00 O ATOM 0 H GLU A 101 -4.801 14.984 -2.826 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.010 17.368 -4.387 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -2.674 17.739 -4.734 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -3.166 18.117 -3.095 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.100 16.106 -2.237 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -1.775 15.523 -3.857 1.00 1.00 H new ATOM 1571 N THR A 102 -4.032 15.762 -6.325 1.00 1.00 N ATOM 1572 CA THR A 102 -3.898 14.758 -7.333 1.00 1.00 C ATOM 1573 C THR A 102 -2.624 13.994 -7.209 1.00 1.00 C ATOM 1574 O THR A 102 -1.539 14.524 -7.442 1.00 1.00 O ATOM 1575 CB THR A 102 -3.949 15.257 -8.746 1.00 1.00 C ATOM 1576 OG1 THR A 102 -5.159 15.966 -8.975 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.931 14.108 -9.768 1.00 1.00 C ATOM 0 H THR A 102 -4.009 16.714 -6.691 1.00 1.00 H new ATOM 0 HA THR A 102 -4.770 14.131 -7.148 1.00 1.00 H new ATOM 0 HB THR A 102 -3.071 15.890 -8.873 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.179 16.288 -9.900 1.00 1.00 H new ATOM 0 HG21 THR A 102 -3.969 14.518 -10.777 1.00 1.00 H new ATOM 0 HG22 THR A 102 -3.016 13.527 -9.647 1.00 1.00 H new ATOM 0 HG23 THR A 102 -4.794 13.463 -9.605 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.719 12.700 -6.856 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.616 11.791 -6.813 1.00 1.00 C ATOM 1587 C VAL A 103 -1.667 10.974 -8.056 1.00 1.00 C ATOM 1588 O VAL A 103 -2.557 10.148 -8.256 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.650 10.885 -5.617 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.379 10.019 -5.561 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.768 11.725 -4.335 1.00 1.00 C ATOM 0 H VAL A 103 -3.604 12.268 -6.589 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.694 12.367 -6.737 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.515 10.227 -5.699 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.420 9.368 -4.688 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.313 9.411 -6.464 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.498 10.663 -5.492 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.792 11.065 -3.468 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.910 12.393 -4.258 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.685 12.314 -4.369 1.00 1.00 H new ATOM 1601 N SER A 104 -0.725 11.219 -8.984 1.00 1.00 N ATOM 1602 CA SER A 104 -0.762 10.682 -10.309 1.00 1.00 C ATOM 1603 C SER A 104 0.573 10.272 -10.829 1.00 1.00 C ATOM 1604 O SER A 104 1.525 11.051 -10.865 1.00 1.00 O ATOM 1605 CB SER A 104 -1.406 11.636 -11.329 1.00 1.00 C ATOM 1606 OG SER A 104 -0.792 12.917 -11.323 1.00 1.00 O ATOM 0 H SER A 104 0.088 11.809 -8.807 1.00 1.00 H new ATOM 0 HA SER A 104 -1.383 9.792 -10.203 1.00 1.00 H new ATOM 0 HB2 SER A 104 -1.332 11.203 -12.327 1.00 1.00 H new ATOM 0 HB3 SER A 104 -2.468 11.742 -11.106 1.00 1.00 H new ATOM 0 HG SER A 104 0.182 12.813 -11.303 1.00 1.00 H new ATOM 1612 N PHE A 105 0.670 9.022 -11.313 1.00 1.00 N ATOM 1613 CA PHE A 105 1.778 8.544 -12.080 1.00 1.00 C ATOM 1614 C PHE A 105 1.488 8.697 -13.533 1.00 1.00 C ATOM 1615 O PHE A 105 2.409 8.811 -14.341 1.00 1.00 O ATOM 1616 CB PHE A 105 2.156 7.128 -11.612 1.00 1.00 C ATOM 1617 CG PHE A 105 2.905 6.276 -12.579 1.00 1.00 C ATOM 1618 CD1 PHE A 105 2.223 5.461 -13.450 1.00 1.00 C ATOM 1619 CD2 PHE A 105 4.280 6.275 -12.606 1.00 1.00 C ATOM 1620 CE1 PHE A 105 2.898 4.683 -14.360 1.00 1.00 C ATOM 1621 CE2 PHE A 105 4.965 5.498 -13.511 1.00 1.00 C ATOM 1622 CZ PHE A 105 4.271 4.701 -14.390 1.00 1.00 C ATOM 0 H PHE A 105 -0.051 8.316 -11.165 1.00 1.00 H new ATOM 0 HA PHE A 105 2.674 9.142 -11.913 1.00 1.00 H new ATOM 0 HB2 PHE A 105 2.754 7.219 -10.705 1.00 1.00 H new ATOM 0 HB3 PHE A 105 1.240 6.605 -11.338 1.00 1.00 H new ATOM 0 HD1 PHE A 105 1.144 5.431 -13.419 1.00 1.00 H new ATOM 0 HD2 PHE A 105 4.828 6.891 -11.909 1.00 1.00 H new ATOM 0 HE1 PHE A 105 2.350 4.059 -15.050 1.00 1.00 H new ATOM 0 HE2 PHE A 105 6.045 5.514 -13.531 1.00 1.00 H new ATOM 0 HZ PHE A 105 4.804 4.090 -15.103 1.00 1.00 H new ATOM 1632 N ARG A 106 0.205 8.741 -13.935 1.00 1.00 N ATOM 1633 CA ARG A 106 -0.193 8.793 -15.308 1.00 1.00 C ATOM 1634 C ARG A 106 -0.455 10.232 -15.730 1.00 1.00 C ATOM 1635 O ARG A 106 0.459 10.885 -16.302 1.00 1.00 O ATOM 1636 CB ARG A 106 -1.455 7.949 -15.545 1.00 1.00 C ATOM 1637 CG ARG A 106 -1.233 6.436 -15.462 1.00 1.00 C ATOM 1638 CD ARG A 106 -0.675 5.792 -16.734 1.00 1.00 C ATOM 1639 NE ARG A 106 -1.803 5.640 -17.697 1.00 1.00 N ATOM 1640 CZ ARG A 106 -2.388 4.450 -18.018 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -1.803 3.254 -17.718 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -3.590 4.442 -18.664 1.00 1.00 N ATOM 1643 OXT ARG A 106 -1.591 10.739 -15.536 1.00 1.00 O ATOM 0 H ARG A 106 -0.580 8.740 -13.284 1.00 1.00 H new ATOM 0 HA ARG A 106 0.620 8.384 -15.908 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.210 8.233 -14.812 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -1.859 8.191 -16.528 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -0.550 6.229 -14.638 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -2.181 5.958 -15.217 1.00 1.00 H new ATOM 0 HD2 ARG A 106 0.113 6.412 -17.162 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -0.231 4.822 -16.509 1.00 1.00 H new ATOM 0 HE ARG A 106 -2.162 6.483 -18.146 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -0.902 3.233 -17.240 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -2.267 2.382 -17.972 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -4.046 5.322 -18.904 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -4.033 3.556 -18.907 1.00 1.00 H new