USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot -163:sc= 0.22 USER MOD Set 1.2: A 80 THR OG1 : rot -118:sc= 0.0223 USER MOD Set 1.3: A 117 GLN : amide:sc= -0.529 K(o=-0.29,f=-2.1) USER MOD Set 2.1: A 25 TYR OH : rot 30:sc= 0.307 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.57 K(o=-1.3,f=-7.1!) USER MOD Set 2.3: A 77 GLN : amide:sc= -0.034 K(o=-1.3,f=-5.1!) USER MOD Set 2.4: A 79 THR OG1 : rot 80:sc= 0.955 USER MOD Set 3.1: A 13 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-3) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -173:sc=-0.00369 (180deg=-0.108) USER MOD Set 3.3: A 43 ASN :FLIP amide:sc= -0.0116 F(o=-3.2,f=-1.5) USER MOD Set 4.1: A 4 SER OG : rot 28:sc= 0.0435 USER MOD Set 4.2: A 7 THR OG1 : rot -83:sc= 0.0162 USER MOD Set 4.3: A 8 HIS : no HD1:sc= -0.237 X(o=-0.18,f=-0.0074) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 1 GLN N :NH3+ -126:sc= 0.0706 (180deg=-0.0185) USER MOD Single : A 3 ASN : amide:sc=-0.00499 X(o=-0.005,f=-0.092) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 59:sc= 0.954 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -19:sc= 0.52 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 87:sc= 0.437 USER MOD Single : A 30 MET CE :methyl 151:sc= -2.22! (180deg=-3.86!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00348 USER MOD Single : A 37 SER OG : rot 53:sc= 0.0505 USER MOD Single : A 49 ASN : amide:sc= -0.0667 K(o=-0.067,f=-0.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= 0.059 (180deg=-0.0351) USER MOD Single : A 59 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.83) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.32) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.069) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= -0.154 (180deg=-1.07) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.244 F(o=-1.2,f=-0.24) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 3:sc= 0.188 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.652 K(o=-0.65,f=-1.3!) USER MOD Single : A 109 ASN : amide:sc= -0.101 X(o=-0.1,f=0.13) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -0.762 F(o=-2!,f=-0.76) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.289 -5.357 -3.086 1.00 0.00 N ATOM 2 CA GLN A 1 5.125 -5.696 -1.655 1.00 0.00 C ATOM 3 C GLN A 1 4.106 -4.806 -1.038 1.00 0.00 C ATOM 4 O GLN A 1 3.805 -3.735 -1.561 1.00 0.00 O ATOM 5 CB GLN A 1 6.444 -5.466 -0.892 1.00 0.00 C ATOM 6 CG GLN A 1 7.583 -6.377 -1.356 1.00 0.00 C ATOM 7 CD GLN A 1 8.808 -6.070 -0.496 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.803 -6.277 0.723 1.00 0.00 O ATOM 9 NE2 GLN A 1 9.884 -5.563 -1.170 1.00 0.00 N ATOM 0 H1 GLN A 1 5.156 -6.212 -3.663 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.583 -4.643 -3.357 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.244 -4.977 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 1 4.824 -6.742 -1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.748 -4.426 -1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.272 -5.626 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 1 7.299 -7.425 -1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.804 -6.206 -2.410 1.00 0.00 H new ATOM 0 HE21 GLN A 1 9.830 -5.413 -2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 1 10.741 -5.335 -0.665 1.00 0.00 H new ATOM 20 N ASP A 2 3.572 -5.245 0.120 1.00 0.00 N ATOM 21 CA ASP A 2 2.713 -4.430 0.925 1.00 0.00 C ATOM 22 C ASP A 2 3.265 -4.506 2.300 1.00 0.00 C ATOM 23 O ASP A 2 2.558 -4.699 3.286 1.00 0.00 O ATOM 24 CB ASP A 2 1.219 -4.814 0.888 1.00 0.00 C ATOM 25 CG ASP A 2 1.004 -6.313 1.078 1.00 0.00 C ATOM 26 OD1 ASP A 2 1.242 -7.084 0.110 1.00 0.00 O ATOM 27 OD2 ASP A 2 0.568 -6.704 2.195 1.00 0.00 O ATOM 0 H ASP A 2 3.739 -6.176 0.501 1.00 0.00 H new ATOM 0 HA ASP A 2 2.709 -3.415 0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.687 -4.271 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.790 -4.505 -0.065 1.00 0.00 H new ATOM 32 N ASN A 3 4.592 -4.292 2.357 1.00 0.00 N ATOM 33 CA ASN A 3 5.356 -4.245 3.566 1.00 0.00 C ATOM 34 C ASN A 3 5.414 -2.806 3.968 1.00 0.00 C ATOM 35 O ASN A 3 5.781 -2.474 5.092 1.00 0.00 O ATOM 36 CB ASN A 3 6.786 -4.787 3.359 1.00 0.00 C ATOM 37 CG ASN A 3 7.498 -4.964 4.701 1.00 0.00 C ATOM 38 OD1 ASN A 3 7.040 -5.708 5.576 1.00 0.00 O ATOM 39 ND2 ASN A 3 8.666 -4.266 4.839 1.00 0.00 N ATOM 0 H ASN A 3 5.159 -4.145 1.522 1.00 0.00 H new ATOM 0 HA ASN A 3 4.891 -4.868 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.746 -5.742 2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.352 -4.101 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.209 -4.345 5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.995 -3.667 4.082 1.00 0.00 H new ATOM 46 N SER A 4 5.035 -1.913 3.031 1.00 0.00 N ATOM 47 CA SER A 4 4.920 -0.511 3.296 1.00 0.00 C ATOM 48 C SER A 4 3.522 -0.232 3.741 1.00 0.00 C ATOM 49 O SER A 4 3.285 0.738 4.455 1.00 0.00 O ATOM 50 CB SER A 4 5.201 0.321 2.032 1.00 0.00 C ATOM 51 OG SER A 4 5.101 1.710 2.303 1.00 0.00 O ATOM 0 H SER A 4 4.804 -2.171 2.072 1.00 0.00 H new ATOM 0 HA SER A 4 5.647 -0.239 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.198 0.091 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.494 0.048 1.249 1.00 0.00 H new ATOM 0 HG SER A 4 5.311 1.875 3.246 1.00 0.00 H new ATOM 57 N ARG A 5 2.555 -1.077 3.314 1.00 0.00 N ATOM 58 CA ARG A 5 1.165 -0.867 3.614 1.00 0.00 C ATOM 59 C ARG A 5 0.916 -1.284 5.031 1.00 0.00 C ATOM 60 O ARG A 5 0.214 -0.574 5.758 1.00 0.00 O ATOM 61 CB ARG A 5 0.231 -1.617 2.644 1.00 0.00 C ATOM 62 CG ARG A 5 -1.114 -0.920 2.375 1.00 0.00 C ATOM 63 CD ARG A 5 -2.227 -1.257 3.371 1.00 0.00 C ATOM 64 NE ARG A 5 -3.422 -0.428 3.033 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.689 0.756 3.661 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.854 1.253 4.619 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.816 1.452 3.323 1.00 0.00 N ATOM 0 H ARG A 5 2.740 -1.911 2.757 1.00 0.00 H new ATOM 0 HA ARG A 5 0.939 0.192 3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.750 -1.754 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.035 -2.611 3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.955 0.158 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.450 -1.187 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.474 -2.318 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.899 -1.054 4.390 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.061 -0.757 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.012 0.739 4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.072 2.139 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.446 1.086 2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.026 2.337 3.784 1.00 0.00 H new ATOM 81 N TYR A 6 1.523 -2.428 5.444 1.00 0.00 N ATOM 82 CA TYR A 6 1.684 -2.842 6.777 1.00 0.00 C ATOM 83 C TYR A 6 2.287 -1.752 7.573 1.00 0.00 C ATOM 84 O TYR A 6 1.618 -1.273 8.473 1.00 0.00 O ATOM 85 CB TYR A 6 2.676 -3.977 6.634 1.00 0.00 C ATOM 86 CG TYR A 6 3.175 -4.484 7.909 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.369 -4.664 9.000 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.466 -4.925 7.921 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.843 -5.338 10.091 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.959 -5.581 9.026 1.00 0.00 C ATOM 91 CZ TYR A 6 4.141 -5.801 10.118 1.00 0.00 C ATOM 92 OH TYR A 6 4.604 -6.541 11.227 1.00 0.00 O ATOM 0 H TYR A 6 1.921 -3.093 4.781 1.00 0.00 H new ATOM 0 HA TYR A 6 0.753 -3.119 7.272 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.204 -4.794 6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.519 -3.637 6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.362 -4.275 8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.101 -4.759 7.063 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.195 -5.509 10.938 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.983 -5.923 9.040 1.00 0.00 H new ATOM 0 HH TYR A 6 5.541 -6.792 11.085 1.00 0.00 H new ATOM 102 N THR A 7 3.533 -1.319 7.307 1.00 0.00 N ATOM 103 CA THR A 7 4.148 -0.443 8.242 1.00 0.00 C ATOM 104 C THR A 7 3.750 1.008 8.166 1.00 0.00 C ATOM 105 O THR A 7 4.253 1.792 8.964 1.00 0.00 O ATOM 106 CB THR A 7 5.635 -0.511 8.244 1.00 0.00 C ATOM 107 OG1 THR A 7 6.170 0.097 7.077 1.00 0.00 O ATOM 108 CG2 THR A 7 6.128 -1.960 8.378 1.00 0.00 C ATOM 0 H THR A 7 4.088 -1.562 6.486 1.00 0.00 H new ATOM 0 HA THR A 7 3.749 -0.840 9.175 1.00 0.00 H new ATOM 0 HB THR A 7 5.991 0.043 9.113 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.158 -0.546 6.338 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.218 -1.975 8.376 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.761 -2.384 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.756 -2.550 7.541 1.00 0.00 H new ATOM 116 N HIS A 8 2.831 1.409 7.256 1.00 0.00 N ATOM 117 CA HIS A 8 2.261 2.733 7.293 1.00 0.00 C ATOM 118 C HIS A 8 1.002 2.702 8.106 1.00 0.00 C ATOM 119 O HIS A 8 0.645 3.703 8.732 1.00 0.00 O ATOM 120 CB HIS A 8 2.012 3.357 5.916 1.00 0.00 C ATOM 121 CG HIS A 8 3.317 3.685 5.243 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.402 4.577 4.210 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.575 3.246 5.497 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.675 4.683 3.854 1.00 0.00 C ATOM 125 NE2 HIS A 8 5.409 3.888 4.621 1.00 0.00 N ATOM 0 H HIS A 8 2.484 0.821 6.499 1.00 0.00 H new ATOM 0 HA HIS A 8 3.002 3.382 7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.439 2.667 5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.414 4.262 6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.864 2.526 6.248 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.054 5.316 3.065 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.421 3.774 4.568 1.00 0.00 H new ATOM 134 N PHE A 9 0.351 1.514 8.163 1.00 0.00 N ATOM 135 CA PHE A 9 -0.623 1.193 9.183 1.00 0.00 C ATOM 136 C PHE A 9 0.047 1.232 10.539 1.00 0.00 C ATOM 137 O PHE A 9 -0.571 1.667 11.505 1.00 0.00 O ATOM 138 CB PHE A 9 -1.343 -0.163 8.923 1.00 0.00 C ATOM 139 CG PHE A 9 -1.831 -0.879 10.150 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.933 -0.409 10.849 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.259 -2.086 10.541 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.388 -1.087 11.961 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.750 -2.786 11.623 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.788 -2.249 12.358 1.00 0.00 C ATOM 0 H PHE A 9 0.502 0.762 7.490 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.412 1.945 9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.194 0.017 8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.659 -0.821 8.387 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.436 0.489 10.522 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.418 -2.480 9.989 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.224 -0.697 12.522 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.328 -3.743 11.892 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.128 -2.750 13.252 1.00 0.00 H new ATOM 154 N LEU A 10 1.326 0.799 10.641 1.00 0.00 N ATOM 155 CA LEU A 10 2.064 0.798 11.880 1.00 0.00 C ATOM 156 C LEU A 10 2.545 2.179 12.208 1.00 0.00 C ATOM 157 O LEU A 10 2.711 2.469 13.386 1.00 0.00 O ATOM 158 CB LEU A 10 3.332 -0.097 11.935 1.00 0.00 C ATOM 159 CG LEU A 10 3.140 -1.634 11.846 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.449 -2.395 13.121 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.728 -2.101 11.586 1.00 0.00 C ATOM 0 H LEU A 10 1.859 0.442 9.847 1.00 0.00 H new ATOM 0 HA LEU A 10 1.336 0.395 12.584 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.990 0.205 11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.855 0.121 12.866 1.00 0.00 H new ATOM 0 HG LEU A 10 3.828 -1.837 11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.285 -3.460 12.958 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.489 -2.227 13.402 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.796 -2.046 13.921 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.707 -3.190 11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.077 -1.757 12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.379 -1.693 10.637 1.00 0.00 H new ATOM 173 N THR A 11 2.797 3.053 11.204 1.00 0.00 N ATOM 174 CA THR A 11 3.246 4.404 11.448 1.00 0.00 C ATOM 175 C THR A 11 2.179 5.172 12.157 1.00 0.00 C ATOM 176 O THR A 11 2.449 5.791 13.185 1.00 0.00 O ATOM 177 CB THR A 11 3.670 5.152 10.198 1.00 0.00 C ATOM 178 OG1 THR A 11 4.791 4.503 9.620 1.00 0.00 O ATOM 179 CG2 THR A 11 4.077 6.608 10.499 1.00 0.00 C ATOM 0 H THR A 11 2.689 2.823 10.216 1.00 0.00 H new ATOM 0 HA THR A 11 4.138 4.318 12.068 1.00 0.00 H new ATOM 0 HB THR A 11 2.814 5.159 9.523 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.555 3.578 9.398 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.372 7.102 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.233 7.138 10.940 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.914 6.615 11.197 1.00 0.00 H new ATOM 187 N GLN A 12 0.950 5.131 11.611 1.00 0.00 N ATOM 188 CA GLN A 12 -0.175 5.836 12.170 1.00 0.00 C ATOM 189 C GLN A 12 -0.609 5.278 13.473 1.00 0.00 C ATOM 190 O GLN A 12 -0.911 6.044 14.383 1.00 0.00 O ATOM 191 CB GLN A 12 -1.426 5.743 11.281 1.00 0.00 C ATOM 192 CG GLN A 12 -1.269 6.366 9.897 1.00 0.00 C ATOM 193 CD GLN A 12 -2.575 6.118 9.149 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.850 4.999 8.698 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.396 7.205 9.031 1.00 0.00 N ATOM 0 H GLN A 12 0.728 4.602 10.768 1.00 0.00 H new ATOM 0 HA GLN A 12 0.185 6.860 12.267 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.695 4.693 11.164 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.256 6.230 11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.065 7.434 9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.429 5.919 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.113 8.103 9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.291 7.118 8.550 1.00 0.00 H new ATOM 204 N HIS A 13 -0.699 3.945 13.579 1.00 0.00 N ATOM 205 CA HIS A 13 -1.357 3.353 14.684 1.00 0.00 C ATOM 206 C HIS A 13 -0.368 2.822 15.663 1.00 0.00 C ATOM 207 O HIS A 13 -0.427 3.188 16.829 1.00 0.00 O ATOM 208 CB HIS A 13 -2.302 2.265 14.193 1.00 0.00 C ATOM 209 CG HIS A 13 -3.327 2.861 13.272 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.468 3.433 13.755 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.348 3.011 11.926 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.186 3.872 12.733 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.524 3.636 11.609 1.00 0.00 N ATOM 0 H HIS A 13 -0.317 3.285 12.902 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.946 4.110 15.201 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.740 1.489 13.673 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.794 1.788 15.041 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.725 3.510 14.739 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.581 2.697 11.233 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.154 4.346 12.804 1.00 0.00 H new ATOM 222 N TYR A 14 0.561 1.942 15.243 1.00 0.00 N ATOM 223 CA TYR A 14 1.350 1.209 16.195 1.00 0.00 C ATOM 224 C TYR A 14 2.418 2.107 16.764 1.00 0.00 C ATOM 225 O TYR A 14 3.301 2.595 16.062 1.00 0.00 O ATOM 226 CB TYR A 14 2.004 -0.025 15.556 1.00 0.00 C ATOM 227 CG TYR A 14 2.913 -0.732 16.498 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.434 -1.345 17.637 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.253 -0.840 16.188 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.291 -2.029 18.474 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.116 -1.509 17.026 1.00 0.00 C ATOM 232 CZ TYR A 14 4.635 -2.096 18.175 1.00 0.00 C ATOM 233 OH TYR A 14 5.527 -2.771 19.030 1.00 0.00 O ATOM 0 H TYR A 14 0.766 1.738 14.265 1.00 0.00 H new ATOM 0 HA TYR A 14 0.686 0.866 16.989 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.228 -0.712 15.219 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.565 0.280 14.673 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.382 -1.289 17.875 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.629 -0.395 15.278 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.910 -2.511 19.362 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.166 -1.573 16.783 1.00 0.00 H new ATOM 0 HH TYR A 14 5.119 -2.870 19.916 1.00 0.00 H new ATOM 243 N ASP A 15 2.335 2.334 18.085 1.00 0.00 N ATOM 244 CA ASP A 15 3.254 3.155 18.802 1.00 0.00 C ATOM 245 C ASP A 15 3.534 2.305 19.980 1.00 0.00 C ATOM 246 O ASP A 15 2.759 2.294 20.932 1.00 0.00 O ATOM 247 CB ASP A 15 2.682 4.508 19.271 1.00 0.00 C ATOM 248 CG ASP A 15 3.740 5.186 20.135 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.853 5.454 19.611 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.445 5.454 21.329 1.00 0.00 O ATOM 0 H ASP A 15 1.604 1.933 18.672 1.00 0.00 H new ATOM 0 HA ASP A 15 4.107 3.437 18.185 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.429 5.134 18.415 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.763 4.359 19.839 1.00 0.00 H new ATOM 255 N ALA A 16 4.649 1.556 19.878 1.00 0.00 N ATOM 256 CA ALA A 16 5.089 0.473 20.726 1.00 0.00 C ATOM 257 C ALA A 16 4.909 0.634 22.205 1.00 0.00 C ATOM 258 O ALA A 16 4.488 -0.309 22.873 1.00 0.00 O ATOM 259 CB ALA A 16 6.542 0.083 20.432 1.00 0.00 C ATOM 0 H ALA A 16 5.314 1.724 19.123 1.00 0.00 H new ATOM 0 HA ALA A 16 4.398 -0.324 20.451 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.839 -0.735 21.089 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.630 -0.235 19.393 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.191 0.941 20.605 1.00 0.00 H new ATOM 265 N LYS A 17 5.188 1.830 22.748 1.00 0.00 N ATOM 266 CA LYS A 17 4.673 2.160 24.046 1.00 0.00 C ATOM 267 C LYS A 17 4.653 3.669 24.150 1.00 0.00 C ATOM 268 O LYS A 17 5.555 4.319 23.621 1.00 0.00 O ATOM 269 CB LYS A 17 5.483 1.592 25.240 1.00 0.00 C ATOM 270 CG LYS A 17 6.990 1.891 25.226 1.00 0.00 C ATOM 271 CD LYS A 17 7.724 1.230 26.400 1.00 0.00 C ATOM 272 CE LYS A 17 9.228 1.511 26.392 1.00 0.00 C ATOM 273 NZ LYS A 17 9.877 0.851 27.546 1.00 0.00 N ATOM 0 H LYS A 17 5.754 2.554 22.306 1.00 0.00 H new ATOM 0 HA LYS A 17 3.686 1.704 24.121 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.061 1.989 26.163 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.346 0.511 25.266 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.419 1.540 24.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.145 2.969 25.264 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.297 1.587 27.337 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.560 0.153 26.365 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.668 1.150 25.462 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.405 2.586 26.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.898 1.049 27.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.467 1.215 28.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.723 -0.176 27.491 1.00 0.00 H new ATOM 287 N PRO A 18 3.670 4.251 24.824 1.00 0.00 N ATOM 288 CA PRO A 18 3.560 5.680 24.946 1.00 0.00 C ATOM 289 C PRO A 18 4.509 6.283 25.932 1.00 0.00 C ATOM 290 O PRO A 18 5.308 5.586 26.560 1.00 0.00 O ATOM 291 CB PRO A 18 2.185 5.880 25.565 1.00 0.00 C ATOM 292 CG PRO A 18 1.339 4.749 25.022 1.00 0.00 C ATOM 293 CD PRO A 18 2.356 3.643 24.785 1.00 0.00 C ATOM 0 HA PRO A 18 3.751 6.134 23.974 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.234 5.848 26.653 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.768 6.850 25.293 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.570 4.444 25.731 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.829 5.033 24.101 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.268 2.870 25.548 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.183 3.162 23.822 1.00 0.00 H new ATOM 301 N GLN A 19 4.347 7.613 26.095 1.00 0.00 N ATOM 302 CA GLN A 19 4.908 8.383 27.165 1.00 0.00 C ATOM 303 C GLN A 19 4.130 8.024 28.394 1.00 0.00 C ATOM 304 O GLN A 19 4.607 7.295 29.262 1.00 0.00 O ATOM 305 CB GLN A 19 4.781 9.899 26.901 1.00 0.00 C ATOM 306 CG GLN A 19 5.576 10.366 25.675 1.00 0.00 C ATOM 307 CD GLN A 19 5.296 11.856 25.485 1.00 0.00 C ATOM 308 OE1 GLN A 19 5.796 12.703 26.236 1.00 0.00 O ATOM 309 NE2 GLN A 19 4.463 12.167 24.446 1.00 0.00 N ATOM 0 H GLN A 19 3.797 8.177 25.447 1.00 0.00 H new ATOM 0 HA GLN A 19 5.971 8.164 27.269 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.730 10.150 26.762 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.126 10.445 27.779 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.642 10.192 25.821 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.279 9.804 24.789 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.080 11.425 23.860 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.224 13.141 24.257 1.00 0.00 H new ATOM 318 N GLY A 20 2.886 8.527 28.453 1.00 0.00 N ATOM 319 CA GLY A 20 1.881 8.055 29.360 1.00 0.00 C ATOM 320 C GLY A 20 0.709 7.890 28.478 1.00 0.00 C ATOM 321 O GLY A 20 0.825 8.062 27.271 1.00 0.00 O ATOM 0 H GLY A 20 2.566 9.286 27.852 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.169 7.116 29.832 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.689 8.769 30.161 1.00 0.00 H new ATOM 325 N ARG A 21 -0.454 7.562 29.060 1.00 0.00 N ATOM 326 CA ARG A 21 -1.661 7.446 28.286 1.00 0.00 C ATOM 327 C ARG A 21 -2.528 8.574 28.718 1.00 0.00 C ATOM 328 O ARG A 21 -3.477 8.390 29.480 1.00 0.00 O ATOM 329 CB ARG A 21 -2.422 6.114 28.442 1.00 0.00 C ATOM 330 CG ARG A 21 -1.752 4.941 27.705 1.00 0.00 C ATOM 331 CD ARG A 21 -0.662 4.200 28.484 1.00 0.00 C ATOM 332 NE ARG A 21 -1.336 3.395 29.538 1.00 0.00 N ATOM 333 CZ ARG A 21 -0.606 2.730 30.481 1.00 0.00 C ATOM 334 NH1 ARG A 21 0.753 2.843 30.509 1.00 0.00 N ATOM 335 NH2 ARG A 21 -1.242 1.940 31.395 1.00 0.00 N ATOM 0 H ARG A 21 -0.566 7.377 30.057 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.391 7.474 27.230 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.501 5.871 29.502 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.438 6.238 28.066 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.524 4.224 27.426 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.318 5.319 26.779 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.086 3.556 27.819 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.038 4.906 28.930 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.354 3.339 29.556 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.230 3.427 29.823 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.292 2.343 31.216 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.258 1.849 31.371 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.702 1.441 32.102 1.00 0.00 H new ATOM 349 N ASP A 22 -2.184 9.785 28.236 1.00 0.00 N ATOM 350 CA ASP A 22 -2.834 10.983 28.678 1.00 0.00 C ATOM 351 C ASP A 22 -2.983 11.911 27.516 1.00 0.00 C ATOM 352 O ASP A 22 -2.536 11.615 26.406 1.00 0.00 O ATOM 353 CB ASP A 22 -2.095 11.690 29.839 1.00 0.00 C ATOM 354 CG ASP A 22 -0.728 12.224 29.417 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.160 11.414 29.039 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.547 13.469 29.499 1.00 0.00 O ATOM 0 H ASP A 22 -1.454 9.934 27.539 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.810 10.699 29.072 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.706 12.514 30.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.970 10.991 30.666 1.00 0.00 H new ATOM 361 N ASP A 23 -3.642 13.062 27.793 1.00 0.00 N ATOM 362 CA ASP A 23 -4.018 14.108 26.875 1.00 0.00 C ATOM 363 C ASP A 23 -2.844 14.649 26.125 1.00 0.00 C ATOM 364 O ASP A 23 -2.921 14.870 24.918 1.00 0.00 O ATOM 365 CB ASP A 23 -4.669 15.282 27.642 1.00 0.00 C ATOM 366 CG ASP A 23 -5.067 16.424 26.710 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.032 16.240 25.924 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.426 17.506 26.794 1.00 0.00 O ATOM 0 H ASP A 23 -3.937 13.278 28.745 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.719 13.664 26.168 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.551 14.923 28.173 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.973 15.654 28.394 1.00 0.00 H new ATOM 373 N ARG A 24 -1.729 14.864 26.851 1.00 0.00 N ATOM 374 CA ARG A 24 -0.532 15.449 26.327 1.00 0.00 C ATOM 375 C ARG A 24 0.246 14.450 25.522 1.00 0.00 C ATOM 376 O ARG A 24 1.017 14.848 24.649 1.00 0.00 O ATOM 377 CB ARG A 24 0.373 16.009 27.447 1.00 0.00 C ATOM 378 CG ARG A 24 1.460 16.988 26.971 1.00 0.00 C ATOM 379 CD ARG A 24 2.322 17.540 28.115 1.00 0.00 C ATOM 380 NE ARG A 24 1.457 18.317 29.057 1.00 0.00 N ATOM 381 CZ ARG A 24 1.224 19.656 28.905 1.00 0.00 C ATOM 382 NH1 ARG A 24 1.758 20.348 27.857 1.00 0.00 N ATOM 383 NH2 ARG A 24 0.442 20.308 29.815 1.00 0.00 N ATOM 0 H ARG A 24 -1.659 14.621 27.839 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.843 16.273 25.685 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.254 16.514 28.182 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.854 15.174 27.957 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.104 16.483 26.251 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.987 17.819 26.448 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.812 16.722 28.644 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.110 18.179 27.716 1.00 0.00 H new ATOM 0 HE ARG A 24 1.025 17.830 29.842 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.341 19.867 27.172 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.574 21.346 27.759 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.038 19.796 30.599 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.262 21.307 29.710 1.00 0.00 H new ATOM 397 N TYR A 25 0.054 13.135 25.785 1.00 0.00 N ATOM 398 CA TYR A 25 0.728 12.115 25.029 1.00 0.00 C ATOM 399 C TYR A 25 0.125 12.073 23.675 1.00 0.00 C ATOM 400 O TYR A 25 0.876 12.045 22.701 1.00 0.00 O ATOM 401 CB TYR A 25 0.682 10.693 25.638 1.00 0.00 C ATOM 402 CG TYR A 25 0.727 9.598 24.595 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.864 9.293 23.852 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.418 8.841 24.384 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.822 8.316 22.876 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.456 7.863 23.415 1.00 0.00 C ATOM 407 CZ TYR A 25 0.661 7.606 22.652 1.00 0.00 C ATOM 408 OH TYR A 25 0.613 6.616 21.649 1.00 0.00 O ATOM 0 H TYR A 25 -0.564 12.782 26.516 1.00 0.00 H new ATOM 0 HA TYR A 25 1.782 12.392 25.022 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.522 10.570 26.322 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.228 10.587 26.229 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.786 9.824 24.040 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.293 9.022 24.990 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.702 8.107 22.286 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.362 7.298 23.254 1.00 0.00 H new ATOM 0 HH TYR A 25 1.502 6.218 21.540 1.00 0.00 H new ATOM 418 N CYS A 26 -1.225 12.047 23.570 1.00 0.00 N ATOM 419 CA CYS A 26 -1.794 11.781 22.299 1.00 0.00 C ATOM 420 C CYS A 26 -1.829 13.011 21.441 1.00 0.00 C ATOM 421 O CYS A 26 -1.841 12.923 20.215 1.00 0.00 O ATOM 422 CB CYS A 26 -3.139 11.101 22.366 1.00 0.00 C ATOM 423 SG CYS A 26 -3.348 10.331 20.740 1.00 0.00 S ATOM 0 H CYS A 26 -1.885 12.203 24.332 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.130 11.061 21.822 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.167 10.358 23.163 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.935 11.817 22.570 1.00 0.00 H new ATOM 428 N GLU A 27 -1.796 14.194 22.091 1.00 0.00 N ATOM 429 CA GLU A 27 -1.629 15.457 21.436 1.00 0.00 C ATOM 430 C GLU A 27 -0.289 15.501 20.757 1.00 0.00 C ATOM 431 O GLU A 27 -0.203 15.868 19.584 1.00 0.00 O ATOM 432 CB GLU A 27 -1.743 16.614 22.445 1.00 0.00 C ATOM 433 CG GLU A 27 -1.705 18.016 21.839 1.00 0.00 C ATOM 434 CD GLU A 27 -1.931 19.002 22.977 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.005 18.924 23.629 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.026 19.848 23.210 1.00 0.00 O ATOM 0 H GLU A 27 -1.889 14.272 23.104 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.418 15.570 20.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.675 16.501 22.999 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.931 16.526 23.167 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.746 18.200 21.354 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.475 18.126 21.075 1.00 0.00 H new ATOM 443 N SER A 28 0.783 15.107 21.487 1.00 0.00 N ATOM 444 CA SER A 28 2.121 15.142 20.989 1.00 0.00 C ATOM 445 C SER A 28 2.393 14.164 19.894 1.00 0.00 C ATOM 446 O SER A 28 3.146 14.498 18.988 1.00 0.00 O ATOM 447 CB SER A 28 3.167 14.893 22.080 1.00 0.00 C ATOM 448 OG SER A 28 3.191 15.980 22.992 1.00 0.00 O ATOM 0 H SER A 28 0.710 14.758 22.443 1.00 0.00 H new ATOM 0 HA SER A 28 2.207 16.155 20.595 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.937 13.969 22.610 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.151 14.766 21.629 1.00 0.00 H new ATOM 0 HG SER A 28 2.526 15.831 23.696 1.00 0.00 H new ATOM 454 N ILE A 29 1.802 12.951 19.941 1.00 0.00 N ATOM 455 CA ILE A 29 2.087 11.932 18.956 1.00 0.00 C ATOM 456 C ILE A 29 1.310 12.170 17.702 1.00 0.00 C ATOM 457 O ILE A 29 1.757 11.784 16.627 1.00 0.00 O ATOM 458 CB ILE A 29 1.959 10.489 19.428 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.459 9.481 18.376 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.513 10.163 19.818 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.837 8.140 18.978 1.00 0.00 C ATOM 0 H ILE A 29 1.129 12.672 20.655 1.00 0.00 H new ATOM 0 HA ILE A 29 3.152 12.042 18.754 1.00 0.00 H new ATOM 0 HB ILE A 29 2.596 10.394 20.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.683 9.331 17.626 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.324 9.899 17.861 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.451 9.127 20.151 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.196 10.823 20.625 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.138 10.307 18.955 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.182 7.471 18.189 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.634 8.281 19.708 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.967 7.704 19.469 1.00 0.00 H new ATOM 473 N MET A 30 0.140 12.830 17.791 1.00 0.00 N ATOM 474 CA MET A 30 -0.601 13.164 16.611 1.00 0.00 C ATOM 475 C MET A 30 0.102 14.252 15.857 1.00 0.00 C ATOM 476 O MET A 30 0.112 14.237 14.628 1.00 0.00 O ATOM 477 CB MET A 30 -2.013 13.643 16.938 1.00 0.00 C ATOM 478 CG MET A 30 -2.976 12.488 17.252 1.00 0.00 C ATOM 479 SD MET A 30 -3.970 11.978 15.822 1.00 0.00 S ATOM 480 CE MET A 30 -5.221 11.075 16.777 1.00 0.00 C ATOM 0 H MET A 30 -0.289 13.129 18.667 1.00 0.00 H new ATOM 0 HA MET A 30 -0.670 12.257 16.010 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.974 14.319 17.792 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.402 14.215 16.096 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.403 11.633 17.612 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.642 12.788 18.061 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.173 11.103 16.247 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.905 10.039 16.902 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.337 11.540 17.756 1.00 0.00 H new ATOM 490 N ARG A 31 0.715 15.214 16.583 1.00 0.00 N ATOM 491 CA ARG A 31 1.498 16.258 15.974 1.00 0.00 C ATOM 492 C ARG A 31 2.837 15.790 15.447 1.00 0.00 C ATOM 493 O ARG A 31 3.354 16.394 14.508 1.00 0.00 O ATOM 494 CB ARG A 31 1.755 17.438 16.928 1.00 0.00 C ATOM 495 CG ARG A 31 0.469 18.204 17.273 1.00 0.00 C ATOM 496 CD ARG A 31 0.681 19.287 18.332 1.00 0.00 C ATOM 497 NE ARG A 31 -0.653 19.861 18.674 1.00 0.00 N ATOM 498 CZ ARG A 31 -0.766 20.801 19.657 1.00 0.00 C ATOM 499 NH1 ARG A 31 0.349 21.282 20.280 1.00 0.00 N ATOM 500 NH2 ARG A 31 -1.998 21.250 20.033 1.00 0.00 N ATOM 0 H ARG A 31 0.668 15.269 17.600 1.00 0.00 H new ATOM 0 HA ARG A 31 0.883 16.582 15.134 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.211 17.067 17.846 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.470 18.122 16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.072 18.663 16.367 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.282 17.499 17.628 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.154 18.866 19.219 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.346 20.064 17.955 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.484 19.550 18.171 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.271 20.939 20.011 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.260 21.985 21.014 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.835 20.883 19.579 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.082 21.953 20.768 1.00 0.00 H new ATOM 514 N ARG A 32 3.437 14.726 16.038 1.00 0.00 N ATOM 515 CA ARG A 32 4.722 14.208 15.624 1.00 0.00 C ATOM 516 C ARG A 32 4.584 13.427 14.361 1.00 0.00 C ATOM 517 O ARG A 32 5.347 13.635 13.418 1.00 0.00 O ATOM 518 CB ARG A 32 5.340 13.193 16.604 1.00 0.00 C ATOM 519 CG ARG A 32 6.038 13.811 17.820 1.00 0.00 C ATOM 520 CD ARG A 32 6.256 12.768 18.919 1.00 0.00 C ATOM 521 NE ARG A 32 6.720 13.467 20.150 1.00 0.00 N ATOM 522 CZ ARG A 32 6.645 12.855 21.368 1.00 0.00 C ATOM 523 NH1 ARG A 32 6.160 11.583 21.476 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.054 13.520 22.488 1.00 0.00 N ATOM 0 H ARG A 32 3.023 14.215 16.818 1.00 0.00 H new ATOM 0 HA ARG A 32 5.347 15.097 15.542 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.554 12.525 16.956 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.061 12.580 16.063 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.997 14.231 17.518 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.438 14.634 18.209 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.330 12.227 19.117 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.994 12.031 18.601 1.00 0.00 H new ATOM 0 HE ARG A 32 7.097 14.412 20.082 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.850 11.083 20.643 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.107 11.133 22.390 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.414 14.471 22.413 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.999 13.066 23.400 1.00 0.00 H new ATOM 538 N ARG A 33 3.619 12.481 14.347 1.00 0.00 N ATOM 539 CA ARG A 33 3.439 11.539 13.278 1.00 0.00 C ATOM 540 C ARG A 33 2.850 12.177 12.054 1.00 0.00 C ATOM 541 O ARG A 33 3.040 11.674 10.948 1.00 0.00 O ATOM 542 CB ARG A 33 2.524 10.381 13.724 1.00 0.00 C ATOM 543 CG ARG A 33 3.026 8.964 13.413 1.00 0.00 C ATOM 544 CD ARG A 33 4.434 8.626 13.928 1.00 0.00 C ATOM 545 NE ARG A 33 4.565 9.025 15.361 1.00 0.00 N ATOM 546 CZ ARG A 33 5.790 9.016 15.969 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.894 8.595 15.287 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.913 9.431 17.263 1.00 0.00 N ATOM 0 H ARG A 33 2.944 12.369 15.103 1.00 0.00 H new ATOM 0 HA ARG A 33 4.429 11.159 13.027 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.369 10.461 14.800 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.551 10.511 13.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.322 8.248 13.838 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.011 8.822 12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.622 7.558 13.821 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.183 9.143 13.328 1.00 0.00 H new ATOM 0 HE ARG A 33 3.738 9.305 15.888 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.808 8.285 14.319 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.805 8.590 15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.091 9.748 17.777 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.827 9.424 17.716 1.00 0.00 H new ATOM 562 N GLY A 34 2.141 13.312 12.230 1.00 0.00 N ATOM 563 CA GLY A 34 1.700 14.118 11.129 1.00 0.00 C ATOM 564 C GLY A 34 0.355 13.644 10.707 1.00 0.00 C ATOM 565 O GLY A 34 0.122 13.379 9.528 1.00 0.00 O ATOM 0 H GLY A 34 1.872 13.673 13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.658 15.167 11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.404 14.046 10.300 1.00 0.00 H new ATOM 569 N LEU A 35 -0.564 13.548 11.691 1.00 0.00 N ATOM 570 CA LEU A 35 -1.930 13.181 11.455 1.00 0.00 C ATOM 571 C LEU A 35 -2.745 14.388 11.783 1.00 0.00 C ATOM 572 O LEU A 35 -3.971 14.321 11.845 1.00 0.00 O ATOM 573 CB LEU A 35 -2.439 12.055 12.372 1.00 0.00 C ATOM 574 CG LEU A 35 -1.580 10.768 12.390 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.194 9.706 13.320 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.352 10.172 10.990 1.00 0.00 C ATOM 0 H LEU A 35 -0.352 13.730 12.672 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.010 12.832 10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.505 12.441 13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.451 11.791 12.066 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.604 11.065 12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.570 8.812 13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.252 10.101 14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.195 9.452 12.971 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.743 9.272 11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.313 9.920 10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.839 10.901 10.363 1.00 0.00 H new ATOM 588 N THR A 36 -2.052 15.530 11.998 1.00 0.00 N ATOM 589 CA THR A 36 -2.662 16.798 12.284 1.00 0.00 C ATOM 590 C THR A 36 -2.673 17.623 11.039 1.00 0.00 C ATOM 591 O THR A 36 -2.912 18.825 11.093 1.00 0.00 O ATOM 592 CB THR A 36 -1.947 17.577 13.353 1.00 0.00 C ATOM 593 OG1 THR A 36 -0.545 17.521 13.134 1.00 0.00 O ATOM 594 CG2 THR A 36 -2.312 16.962 14.710 1.00 0.00 C ATOM 0 H THR A 36 -1.033 15.570 11.971 1.00 0.00 H new ATOM 0 HA THR A 36 -3.668 16.587 12.647 1.00 0.00 H new ATOM 0 HB THR A 36 -2.246 18.625 13.332 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.084 18.031 13.832 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.806 17.509 15.505 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.390 17.021 14.858 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.000 15.918 14.732 1.00 0.00 H new ATOM 602 N SER A 37 -2.450 16.984 9.876 1.00 0.00 N ATOM 603 CA SER A 37 -2.555 17.641 8.614 1.00 0.00 C ATOM 604 C SER A 37 -3.539 16.889 7.751 1.00 0.00 C ATOM 605 O SER A 37 -3.130 15.952 7.066 1.00 0.00 O ATOM 606 CB SER A 37 -1.189 17.641 7.915 1.00 0.00 C ATOM 607 OG SER A 37 -0.489 16.434 8.187 1.00 0.00 O ATOM 0 H SER A 37 -2.194 15.999 9.813 1.00 0.00 H new ATOM 0 HA SER A 37 -2.889 18.667 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.325 17.755 6.839 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.601 18.494 8.254 1.00 0.00 H new ATOM 0 HG SER A 37 -1.060 15.668 7.969 1.00 0.00 H new ATOM 613 N PRO A 38 -4.823 17.229 7.681 1.00 0.00 N ATOM 614 CA PRO A 38 -5.606 17.941 8.662 1.00 0.00 C ATOM 615 C PRO A 38 -5.937 16.961 9.758 1.00 0.00 C ATOM 616 O PRO A 38 -5.734 15.759 9.579 1.00 0.00 O ATOM 617 CB PRO A 38 -6.874 18.331 7.903 1.00 0.00 C ATOM 618 CG PRO A 38 -7.057 17.218 6.865 1.00 0.00 C ATOM 619 CD PRO A 38 -5.621 16.786 6.554 1.00 0.00 C ATOM 0 HA PRO A 38 -5.112 18.808 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.733 18.396 8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.767 19.305 7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.649 16.392 7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.570 17.580 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.556 15.705 6.430 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.270 17.236 5.625 1.00 0.00 H new ATOM 627 N CYS A 39 -6.428 17.481 10.908 1.00 0.00 N ATOM 628 CA CYS A 39 -6.647 16.731 12.102 1.00 0.00 C ATOM 629 C CYS A 39 -7.662 15.652 11.931 1.00 0.00 C ATOM 630 O CYS A 39 -8.818 15.896 11.586 1.00 0.00 O ATOM 631 CB CYS A 39 -7.055 17.667 13.240 1.00 0.00 C ATOM 632 SG CYS A 39 -5.753 18.910 13.465 1.00 0.00 S ATOM 0 H CYS A 39 -6.680 18.465 11.001 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.705 16.240 12.348 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.004 18.151 13.009 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.201 17.102 14.160 1.00 0.00 H new ATOM 637 N LYS A 40 -7.177 14.413 12.176 1.00 0.00 N ATOM 638 CA LYS A 40 -7.909 13.186 12.067 1.00 0.00 C ATOM 639 C LYS A 40 -8.856 13.152 13.218 1.00 0.00 C ATOM 640 O LYS A 40 -8.496 13.548 14.323 1.00 0.00 O ATOM 641 CB LYS A 40 -6.954 11.969 12.144 1.00 0.00 C ATOM 642 CG LYS A 40 -7.600 10.580 11.993 1.00 0.00 C ATOM 643 CD LYS A 40 -8.285 10.340 10.639 1.00 0.00 C ATOM 644 CE LYS A 40 -9.006 8.989 10.565 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.055 7.873 10.760 1.00 0.00 N ATOM 0 H LYS A 40 -6.211 14.264 12.469 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.432 13.135 11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.197 12.080 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.435 12.002 13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.833 9.819 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.335 10.447 12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.003 11.139 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.539 10.392 9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.785 8.946 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.499 8.888 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.540 6.969 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.262 7.972 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.693 7.892 11.735 1.00 0.00 H new ATOM 659 N ASP A 41 -10.095 12.682 12.956 1.00 0.00 N ATOM 660 CA ASP A 41 -11.171 12.724 13.902 1.00 0.00 C ATOM 661 C ASP A 41 -10.970 11.742 15.011 1.00 0.00 C ATOM 662 O ASP A 41 -11.221 12.069 16.168 1.00 0.00 O ATOM 663 CB ASP A 41 -12.533 12.410 13.267 1.00 0.00 C ATOM 664 CG ASP A 41 -12.763 13.399 12.135 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.809 14.626 12.418 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.893 12.941 10.969 1.00 0.00 O ATOM 0 H ASP A 41 -10.353 12.262 12.063 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.169 13.745 14.282 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.551 11.388 12.889 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.327 12.489 14.010 1.00 0.00 H new ATOM 671 N ILE A 42 -10.536 10.509 14.685 1.00 0.00 N ATOM 672 CA ILE A 42 -10.331 9.509 15.692 1.00 0.00 C ATOM 673 C ILE A 42 -9.245 8.630 15.161 1.00 0.00 C ATOM 674 O ILE A 42 -9.317 8.146 14.032 1.00 0.00 O ATOM 675 CB ILE A 42 -11.618 8.771 16.077 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.451 7.720 17.210 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.372 8.234 14.842 1.00 0.00 C ATOM 678 CD1 ILE A 42 -11.113 6.288 16.776 1.00 0.00 C ATOM 0 H ILE A 42 -10.328 10.206 13.734 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.029 9.948 16.643 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.259 9.529 16.528 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.666 8.066 17.882 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.375 7.692 17.787 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.277 7.719 15.164 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.640 9.065 14.190 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.732 7.538 14.299 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.023 5.652 17.657 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.906 5.906 16.133 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.170 6.286 16.230 1.00 0.00 H new ATOM 690 N ASN A 43 -8.200 8.411 15.987 1.00 0.00 N ATOM 691 CA ASN A 43 -7.156 7.490 15.611 1.00 0.00 C ATOM 692 C ASN A 43 -6.708 6.778 16.844 1.00 0.00 C ATOM 693 O ASN A 43 -6.419 7.400 17.866 1.00 0.00 O ATOM 694 CB ASN A 43 -5.930 8.154 14.949 1.00 0.00 C ATOM 695 CG ASN A 43 -5.104 7.126 14.174 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.506 6.922 12.883 1.00 0.00 O flip ATOM 697 ND2 ASN A 43 -4.130 6.558 14.682 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.075 8.858 16.895 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.577 6.818 14.864 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.259 8.944 14.275 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.310 8.624 15.712 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.876 6.749 15.651 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.580 5.898 14.132 1.00 0.00 H new ATOM 704 N THR A 44 -6.648 5.433 16.751 1.00 0.00 N ATOM 705 CA THR A 44 -6.309 4.584 17.855 1.00 0.00 C ATOM 706 C THR A 44 -4.875 4.182 17.725 1.00 0.00 C ATOM 707 O THR A 44 -4.514 3.480 16.783 1.00 0.00 O ATOM 708 CB THR A 44 -7.168 3.345 17.867 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.530 3.736 17.826 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.919 2.527 19.145 1.00 0.00 C ATOM 0 H THR A 44 -6.840 4.925 15.888 1.00 0.00 H new ATOM 0 HA THR A 44 -6.476 5.129 18.784 1.00 0.00 H new ATOM 0 HB THR A 44 -6.919 2.729 17.003 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.094 2.986 18.108 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.548 1.637 19.135 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.871 2.231 19.189 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.161 3.133 20.018 1.00 0.00 H new ATOM 718 N PHE A 45 -4.033 4.599 18.699 1.00 0.00 N ATOM 719 CA PHE A 45 -2.660 4.167 18.724 1.00 0.00 C ATOM 720 C PHE A 45 -2.576 2.912 19.550 1.00 0.00 C ATOM 721 O PHE A 45 -2.996 2.893 20.702 1.00 0.00 O ATOM 722 CB PHE A 45 -1.625 5.176 19.281 1.00 0.00 C ATOM 723 CG PHE A 45 -1.517 6.399 18.413 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.454 7.399 18.577 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.487 6.606 17.499 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.403 8.550 17.820 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.426 7.770 16.761 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.393 8.736 16.901 1.00 0.00 C ATOM 0 H PHE A 45 -4.298 5.226 19.459 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.390 4.029 17.677 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.911 5.471 20.291 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.650 4.694 19.354 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.239 7.278 19.309 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.271 5.848 17.367 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.159 9.311 17.948 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.388 7.923 16.068 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.362 9.631 16.298 1.00 0.00 H new ATOM 738 N ILE A 46 -2.019 1.832 18.955 1.00 0.00 N ATOM 739 CA ILE A 46 -1.890 0.526 19.557 1.00 0.00 C ATOM 740 C ILE A 46 -0.537 0.494 20.180 1.00 0.00 C ATOM 741 O ILE A 46 0.362 1.171 19.704 1.00 0.00 O ATOM 742 CB ILE A 46 -1.830 -0.581 18.513 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.782 -0.360 17.315 1.00 0.00 C ATOM 744 CG2 ILE A 46 -2.015 -1.967 19.157 1.00 0.00 C ATOM 745 CD1 ILE A 46 -4.261 -0.268 17.686 1.00 0.00 C ATOM 0 H ILE A 46 -1.640 1.869 18.009 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.734 0.373 20.230 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.827 -0.542 18.087 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.492 0.557 16.802 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.649 -1.178 16.606 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.967 -2.736 18.386 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.225 -2.137 19.888 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.984 -2.011 19.654 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.853 -0.113 16.784 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.573 -1.193 18.170 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.414 0.568 18.369 1.00 0.00 H new ATOM 757 N HIS A 47 -0.352 -0.285 21.264 1.00 0.00 N ATOM 758 CA HIS A 47 0.893 -0.365 21.986 1.00 0.00 C ATOM 759 C HIS A 47 1.084 -1.777 22.432 1.00 0.00 C ATOM 760 O HIS A 47 0.221 -2.354 23.093 1.00 0.00 O ATOM 761 CB HIS A 47 0.939 0.452 23.281 1.00 0.00 C ATOM 762 CG HIS A 47 0.102 1.687 23.258 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.255 2.724 22.367 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.922 2.044 24.071 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.675 3.647 22.678 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.415 3.281 23.706 1.00 0.00 N ATOM 0 H HIS A 47 -1.086 -0.877 21.653 1.00 0.00 H new ATOM 0 HA HIS A 47 1.648 0.017 21.298 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.612 -0.179 24.107 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.973 0.732 23.484 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.941 2.783 21.615 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.299 1.446 24.888 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.800 4.579 22.147 1.00 0.00 H new ATOM 774 N GLY A 48 2.252 -2.362 22.122 1.00 0.00 N ATOM 775 CA GLY A 48 2.559 -3.654 22.656 1.00 0.00 C ATOM 776 C GLY A 48 3.803 -4.118 21.993 1.00 0.00 C ATOM 777 O GLY A 48 4.745 -3.343 21.829 1.00 0.00 O ATOM 0 H GLY A 48 2.968 -1.957 21.519 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.695 -3.601 23.736 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.742 -4.351 22.471 1.00 0.00 H new ATOM 781 N ASN A 49 3.818 -5.410 21.605 1.00 0.00 N ATOM 782 CA ASN A 49 4.923 -5.985 20.897 1.00 0.00 C ATOM 783 C ASN A 49 4.452 -6.146 19.489 1.00 0.00 C ATOM 784 O ASN A 49 3.285 -6.440 19.240 1.00 0.00 O ATOM 785 CB ASN A 49 5.357 -7.348 21.462 1.00 0.00 C ATOM 786 CG ASN A 49 6.728 -7.721 20.901 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.717 -7.011 21.121 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.774 -8.873 20.167 1.00 0.00 N ATOM 0 H ASN A 49 3.055 -6.062 21.785 1.00 0.00 H new ATOM 0 HA ASN A 49 5.798 -5.341 20.985 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.397 -7.306 22.550 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.625 -8.112 21.199 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.658 -9.188 19.767 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.924 -9.418 20.019 1.00 0.00 H new ATOM 795 N LYS A 50 5.367 -5.947 18.524 1.00 0.00 N ATOM 796 CA LYS A 50 5.002 -5.807 17.147 1.00 0.00 C ATOM 797 C LYS A 50 4.841 -7.151 16.509 1.00 0.00 C ATOM 798 O LYS A 50 4.170 -7.276 15.486 1.00 0.00 O ATOM 799 CB LYS A 50 6.140 -5.083 16.391 1.00 0.00 C ATOM 800 CG LYS A 50 5.869 -4.630 14.950 1.00 0.00 C ATOM 801 CD LYS A 50 7.139 -4.043 14.314 1.00 0.00 C ATOM 802 CE LYS A 50 6.956 -3.591 12.862 1.00 0.00 C ATOM 803 NZ LYS A 50 8.253 -3.162 12.291 1.00 0.00 N ATOM 0 H LYS A 50 6.370 -5.882 18.699 1.00 0.00 H new ATOM 0 HA LYS A 50 4.067 -5.249 17.098 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.420 -4.204 16.971 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.006 -5.745 16.376 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.518 -5.475 14.358 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.075 -3.884 14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.472 -3.193 14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.932 -4.790 14.354 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.542 -4.407 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.241 -2.769 12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.115 -2.858 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.633 -2.370 12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.924 -3.956 12.317 1.00 0.00 H new ATOM 817 N ARG A 51 5.451 -8.196 17.111 1.00 0.00 N ATOM 818 CA ARG A 51 5.322 -9.540 16.624 1.00 0.00 C ATOM 819 C ARG A 51 4.149 -10.174 17.302 1.00 0.00 C ATOM 820 O ARG A 51 3.715 -11.249 16.894 1.00 0.00 O ATOM 821 CB ARG A 51 6.554 -10.445 16.838 1.00 0.00 C ATOM 822 CG ARG A 51 7.722 -10.177 15.869 1.00 0.00 C ATOM 823 CD ARG A 51 8.478 -8.858 16.074 1.00 0.00 C ATOM 824 NE ARG A 51 9.061 -8.860 17.446 1.00 0.00 N ATOM 825 CZ ARG A 51 9.641 -7.736 17.960 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.662 -6.577 17.242 1.00 0.00 N ATOM 827 NH2 ARG A 51 10.207 -7.778 19.202 1.00 0.00 N ATOM 0 H ARG A 51 6.037 -8.107 17.941 1.00 0.00 H new ATOM 0 HA ARG A 51 5.202 -9.454 15.544 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.910 -10.316 17.860 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.246 -11.486 16.736 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.434 -10.998 15.954 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.334 -10.196 14.850 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.265 -8.752 15.327 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.804 -8.011 15.949 1.00 0.00 H new ATOM 0 HE ARG A 51 9.026 -9.711 18.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.242 -6.545 16.313 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.098 -5.742 17.634 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.195 -8.645 19.739 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.642 -6.942 19.593 1.00 0.00 H new ATOM 841 N SER A 52 3.587 -9.512 18.342 1.00 0.00 N ATOM 842 CA SER A 52 2.314 -9.869 18.867 1.00 0.00 C ATOM 843 C SER A 52 1.258 -9.366 17.941 1.00 0.00 C ATOM 844 O SER A 52 0.274 -10.075 17.761 1.00 0.00 O ATOM 845 CB SER A 52 2.054 -9.363 20.288 1.00 0.00 C ATOM 846 OG SER A 52 2.878 -10.060 21.209 1.00 0.00 O ATOM 0 H SER A 52 4.028 -8.724 18.816 1.00 0.00 H new ATOM 0 HA SER A 52 2.294 -10.956 18.940 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.255 -8.293 20.345 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.005 -9.504 20.547 1.00 0.00 H new ATOM 0 HG SER A 52 2.707 -9.730 22.116 1.00 0.00 H new ATOM 852 N ILE A 53 1.430 -8.155 17.342 1.00 0.00 N ATOM 853 CA ILE A 53 0.540 -7.652 16.308 1.00 0.00 C ATOM 854 C ILE A 53 0.544 -8.578 15.105 1.00 0.00 C ATOM 855 O ILE A 53 -0.526 -9.004 14.664 1.00 0.00 O ATOM 856 CB ILE A 53 0.801 -6.190 15.913 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.110 -5.196 16.873 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.342 -5.858 14.477 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.066 -4.491 17.826 1.00 0.00 C ATOM 0 H ILE A 53 2.192 -7.518 17.575 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.461 -7.646 16.740 1.00 0.00 H new ATOM 0 HB ILE A 53 1.884 -6.080 15.974 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.419 -4.446 16.285 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.640 -5.731 17.456 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.554 -4.811 14.260 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.877 -6.491 13.769 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.729 -6.037 14.387 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.505 -3.811 18.467 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.577 -5.231 18.442 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.801 -3.926 17.252 1.00 0.00 H new ATOM 871 N LYS A 54 1.743 -8.912 14.561 1.00 0.00 N ATOM 872 CA LYS A 54 1.921 -9.700 13.361 1.00 0.00 C ATOM 873 C LYS A 54 1.299 -11.061 13.503 1.00 0.00 C ATOM 874 O LYS A 54 0.560 -11.524 12.627 1.00 0.00 O ATOM 875 CB LYS A 54 3.411 -9.865 13.002 1.00 0.00 C ATOM 876 CG LYS A 54 3.665 -10.406 11.588 1.00 0.00 C ATOM 877 CD LYS A 54 5.155 -10.382 11.221 1.00 0.00 C ATOM 878 CE LYS A 54 5.436 -10.841 9.788 1.00 0.00 C ATOM 879 NZ LYS A 54 5.063 -12.261 9.610 1.00 0.00 N ATOM 0 H LYS A 54 2.628 -8.620 14.976 1.00 0.00 H new ATOM 0 HA LYS A 54 1.422 -9.157 12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.906 -8.899 13.103 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.874 -10.537 13.724 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.291 -11.428 11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.105 -9.812 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.537 -9.370 11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.702 -11.022 11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.876 -10.222 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.493 -10.706 9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.739 -12.719 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.082 -12.743 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.106 -12.321 9.208 1.00 0.00 H new ATOM 893 N ALA A 55 1.556 -11.716 14.657 1.00 0.00 N ATOM 894 CA ALA A 55 1.112 -13.055 14.905 1.00 0.00 C ATOM 895 C ALA A 55 -0.308 -13.147 15.395 1.00 0.00 C ATOM 896 O ALA A 55 -0.673 -14.169 15.970 1.00 0.00 O ATOM 897 CB ALA A 55 1.988 -13.780 15.938 1.00 0.00 C ATOM 0 H ALA A 55 2.081 -11.306 15.429 1.00 0.00 H new ATOM 0 HA ALA A 55 1.187 -13.531 13.927 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.610 -14.791 16.091 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.015 -13.828 15.575 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.962 -13.237 16.883 1.00 0.00 H new ATOM 903 N ILE A 56 -1.168 -12.125 15.145 1.00 0.00 N ATOM 904 CA ILE A 56 -2.586 -12.303 15.307 1.00 0.00 C ATOM 905 C ILE A 56 -3.069 -13.040 14.094 1.00 0.00 C ATOM 906 O ILE A 56 -4.075 -13.747 14.173 1.00 0.00 O ATOM 907 CB ILE A 56 -3.366 -11.009 15.469 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.826 -10.209 16.660 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.877 -11.245 15.653 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.215 -8.738 16.578 1.00 0.00 C ATOM 0 H ILE A 56 -0.885 -11.195 14.837 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.757 -12.852 16.233 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.231 -10.445 14.546 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.209 -10.635 17.587 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.740 -10.296 16.694 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.384 -10.287 15.764 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.273 -11.766 14.781 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.045 -11.850 16.544 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.813 -8.207 17.441 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.810 -8.305 15.664 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.301 -8.649 16.571 1.00 0.00 H new ATOM 922 N CYS A 57 -2.355 -12.887 12.943 1.00 0.00 N ATOM 923 CA CYS A 57 -2.719 -13.552 11.708 1.00 0.00 C ATOM 924 C CYS A 57 -2.683 -15.050 11.856 1.00 0.00 C ATOM 925 O CYS A 57 -3.552 -15.740 11.323 1.00 0.00 O ATOM 926 CB CYS A 57 -1.808 -13.244 10.499 1.00 0.00 C ATOM 927 SG CYS A 57 -1.850 -11.516 9.933 1.00 0.00 S ATOM 0 H CYS A 57 -1.524 -12.301 12.869 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.719 -13.163 11.514 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.782 -13.501 10.761 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.097 -13.890 9.670 1.00 0.00 H new ATOM 932 N GLU A 58 -1.675 -15.576 12.586 1.00 0.00 N ATOM 933 CA GLU A 58 -1.517 -16.986 12.788 1.00 0.00 C ATOM 934 C GLU A 58 -1.934 -17.361 14.180 1.00 0.00 C ATOM 935 O GLU A 58 -2.133 -16.505 15.043 1.00 0.00 O ATOM 936 CB GLU A 58 -0.044 -17.422 12.607 1.00 0.00 C ATOM 937 CG GLU A 58 0.937 -16.726 13.562 1.00 0.00 C ATOM 938 CD GLU A 58 2.347 -17.170 13.204 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.647 -18.382 13.372 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.144 -16.300 12.761 1.00 0.00 O ATOM 0 H GLU A 58 -0.959 -15.011 13.043 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.141 -17.486 12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.025 -18.500 12.754 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.260 -17.220 11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.847 -15.643 13.477 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.708 -16.984 14.596 1.00 0.00 H new ATOM 947 N ASN A 59 -1.996 -18.692 14.403 1.00 0.00 N ATOM 948 CA ASN A 59 -1.835 -19.334 15.680 1.00 0.00 C ATOM 949 C ASN A 59 -2.997 -19.170 16.615 1.00 0.00 C ATOM 950 O ASN A 59 -4.150 -19.343 16.227 1.00 0.00 O ATOM 951 CB ASN A 59 -0.457 -19.024 16.333 1.00 0.00 C ATOM 952 CG ASN A 59 -0.001 -20.140 17.284 1.00 0.00 C ATOM 953 OD1 ASN A 59 -0.020 -21.327 16.940 1.00 0.00 O ATOM 954 ND2 ASN A 59 0.437 -19.718 18.509 1.00 0.00 N ATOM 0 H ASN A 59 -2.168 -19.358 13.650 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.834 -20.402 15.461 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.291 -18.887 15.552 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.520 -18.085 16.882 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.771 -20.397 19.193 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.430 -18.724 18.739 1.00 0.00 H new ATOM 961 N LYS A 60 -2.679 -18.895 17.894 1.00 0.00 N ATOM 962 CA LYS A 60 -3.576 -19.011 19.005 1.00 0.00 C ATOM 963 C LYS A 60 -3.322 -17.765 19.779 1.00 0.00 C ATOM 964 O LYS A 60 -3.942 -17.482 20.805 1.00 0.00 O ATOM 965 CB LYS A 60 -3.260 -20.261 19.854 1.00 0.00 C ATOM 966 CG LYS A 60 -4.318 -20.617 20.907 1.00 0.00 C ATOM 967 CD LYS A 60 -4.027 -21.961 21.589 1.00 0.00 C ATOM 968 CE LYS A 60 -5.064 -22.333 22.652 1.00 0.00 C ATOM 969 NZ LYS A 60 -4.733 -23.644 23.251 1.00 0.00 N ATOM 0 H LYS A 60 -1.750 -18.576 18.167 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.616 -19.123 18.699 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.134 -21.113 19.186 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.306 -20.107 20.358 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.358 -19.830 21.660 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.300 -20.656 20.435 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.993 -22.745 20.833 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.041 -21.921 22.051 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.092 -21.567 23.427 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.057 -22.370 22.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.443 -23.886 23.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.729 -24.373 22.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.793 -23.596 23.694 1.00 0.00 H new ATOM 983 N ASN A 61 -2.391 -16.959 19.224 1.00 0.00 N ATOM 984 CA ASN A 61 -2.100 -15.633 19.672 1.00 0.00 C ATOM 985 C ASN A 61 -3.129 -14.736 19.051 1.00 0.00 C ATOM 986 O ASN A 61 -3.389 -13.642 19.550 1.00 0.00 O ATOM 987 CB ASN A 61 -0.679 -15.194 19.264 1.00 0.00 C ATOM 988 CG ASN A 61 -0.297 -13.872 19.931 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.025 -13.845 21.125 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.318 -12.763 19.128 1.00 0.00 N ATOM 0 H ASN A 61 -1.819 -17.247 18.430 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.135 -15.584 20.760 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.038 -15.966 19.544 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.625 -15.087 18.181 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.059 -11.853 19.509 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.593 -12.847 18.149 1.00 0.00 H new ATOM 997 N GLY A 62 -3.763 -15.199 17.952 1.00 0.00 N ATOM 998 CA GLY A 62 -4.965 -14.553 17.513 1.00 0.00 C ATOM 999 C GLY A 62 -5.842 -15.609 16.948 1.00 0.00 C ATOM 1000 O GLY A 62 -5.514 -16.792 17.011 1.00 0.00 O ATOM 0 H GLY A 62 -3.457 -15.991 17.387 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.457 -14.047 18.344 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.743 -13.794 16.763 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.003 -15.199 16.397 1.00 0.00 N ATOM 1005 CA ASN A 63 -7.957 -16.147 15.900 1.00 0.00 C ATOM 1006 C ASN A 63 -8.695 -15.442 14.798 1.00 0.00 C ATOM 1007 O ASN A 63 -8.746 -14.214 14.837 1.00 0.00 O ATOM 1008 CB ASN A 63 -8.940 -16.662 16.988 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.702 -15.533 17.693 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -10.838 -15.212 17.327 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.065 -14.970 18.768 1.00 0.00 N ATOM 0 H ASN A 63 -7.279 -14.222 16.296 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.443 -17.042 15.549 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.656 -17.344 16.529 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.384 -17.235 17.730 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.530 -14.244 19.314 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.126 -15.277 19.022 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.261 -16.131 13.811 1.00 0.00 N ATOM 1019 CA PRO A 64 -9.896 -15.494 12.688 1.00 0.00 C ATOM 1020 C PRO A 64 -11.246 -15.024 13.142 1.00 0.00 C ATOM 1021 O PRO A 64 -11.870 -15.666 13.986 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.022 -16.586 11.623 1.00 0.00 C ATOM 1023 CG PRO A 64 -9.929 -17.904 12.394 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.028 -17.546 13.576 1.00 0.00 C ATOM 0 HA PRO A 64 -9.347 -14.639 12.295 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.968 -16.508 11.088 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.228 -16.506 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.909 -18.249 12.723 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.499 -18.699 11.785 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.277 -18.139 14.456 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.980 -17.741 13.347 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.694 -13.891 12.571 1.00 0.00 N ATOM 1033 CA HIS A 65 -12.923 -13.264 12.944 1.00 0.00 C ATOM 1034 C HIS A 65 -13.600 -12.886 11.672 1.00 0.00 C ATOM 1035 O HIS A 65 -13.021 -12.170 10.861 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.678 -11.973 13.748 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.900 -11.126 13.934 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.972 -11.519 14.688 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.184 -9.898 13.441 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.883 -10.556 14.648 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.429 -9.560 13.899 1.00 0.00 N ATOM 0 H HIS A 65 -11.190 -13.400 11.833 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.511 -13.944 13.561 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.280 -12.238 14.728 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.914 -11.383 13.243 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.549 -9.298 12.806 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.841 -10.579 15.146 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.923 -8.691 13.698 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.861 -13.344 11.507 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.751 -12.955 10.441 1.00 0.00 C ATOM 1052 C ARG A 66 -15.229 -13.395 9.098 1.00 0.00 C ATOM 1053 O ARG A 66 -15.296 -14.579 8.768 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.138 -11.448 10.493 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.303 -10.962 9.600 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.664 -11.624 9.853 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.734 -12.883 9.054 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.837 -13.686 9.097 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -20.903 -13.353 9.882 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.872 -14.827 8.349 1.00 0.00 N ATOM 0 H ARG A 66 -15.282 -14.018 12.147 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.689 -13.488 10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.386 -11.203 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.253 -10.868 10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.414 -9.886 9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.029 -11.126 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.788 -11.841 10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.472 -10.950 9.569 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.944 -13.148 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.878 -12.500 10.441 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.724 -13.957 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.076 -15.076 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.694 -15.431 8.378 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.732 -12.440 8.282 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.352 -12.673 6.924 1.00 0.00 C ATOM 1076 C GLU A 67 -13.158 -11.812 6.706 1.00 0.00 C ATOM 1077 O GLU A 67 -13.282 -10.619 6.431 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.414 -12.244 5.887 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.630 -13.177 5.816 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.629 -12.590 4.828 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.271 -12.452 3.629 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.767 -12.273 5.266 1.00 0.00 O ATOM 0 H GLU A 67 -14.592 -11.475 8.582 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.194 -13.742 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.755 -11.237 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.948 -12.196 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.325 -14.174 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.086 -13.281 6.800 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.969 -12.445 6.836 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.630 -11.934 6.607 1.00 0.00 C ATOM 1091 C ASN A 68 -10.222 -10.834 7.550 1.00 0.00 C ATOM 1092 O ASN A 68 -9.332 -10.040 7.247 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.219 -11.642 5.128 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.038 -10.560 4.402 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.968 -10.885 3.654 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.661 -9.263 4.607 1.00 0.00 N ATOM 0 H ASN A 68 -11.939 -13.420 7.134 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.029 -12.808 6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.170 -11.346 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.295 -12.569 4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.154 -8.507 4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.886 -9.050 5.235 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.846 -10.799 8.744 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.456 -9.918 9.803 1.00 0.00 C ATOM 1105 C LEU A 69 -9.928 -10.877 10.794 1.00 0.00 C ATOM 1106 O LEU A 69 -10.106 -12.083 10.639 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.623 -9.145 10.449 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.594 -8.485 9.445 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.797 -7.878 10.190 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.910 -7.444 8.540 1.00 0.00 C ATOM 0 H LEU A 69 -11.639 -11.396 8.978 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.775 -9.144 9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.187 -9.829 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.213 -8.372 11.099 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.950 -9.270 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.474 -7.416 9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.324 -8.664 10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.446 -7.124 10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.645 -7.017 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.482 -6.652 9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.118 -7.925 7.966 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.255 -10.375 11.840 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.779 -11.275 12.846 1.00 0.00 C ATOM 1124 C ARG A 70 -8.633 -10.498 14.104 1.00 0.00 C ATOM 1125 O ARG A 70 -8.050 -9.413 14.136 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.522 -12.108 12.476 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.481 -11.426 11.576 1.00 0.00 C ATOM 1128 CD ARG A 70 -5.443 -10.615 12.333 1.00 0.00 C ATOM 1129 NE ARG A 70 -4.982 -9.546 11.434 1.00 0.00 N ATOM 1130 CZ ARG A 70 -3.747 -8.987 11.556 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -2.776 -9.532 12.337 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -3.506 -7.819 10.908 1.00 0.00 N ATOM 0 H ARG A 70 -9.045 -9.388 11.991 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.519 -12.066 12.967 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.028 -12.407 13.401 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.853 -13.021 11.981 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.972 -12.188 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.997 -10.771 10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.873 -10.194 13.242 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.609 -11.247 12.638 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.606 -9.214 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.961 -10.390 12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.862 -9.083 12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.241 -7.385 10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.590 -7.375 10.980 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.222 -11.065 15.173 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.285 -10.432 16.449 1.00 0.00 C ATOM 1148 C ILE A 71 -8.210 -11.077 17.254 1.00 0.00 C ATOM 1149 O ILE A 71 -7.943 -12.269 17.107 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.665 -10.555 17.082 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.830 -9.614 18.294 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.021 -12.019 17.414 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.301 -9.403 18.668 1.00 0.00 C ATOM 0 H ILE A 71 -9.664 -11.984 15.147 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.127 -9.356 16.381 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.389 -10.226 16.337 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.296 -10.028 19.149 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.373 -8.651 18.069 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.013 -12.059 17.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.013 -12.612 16.499 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.289 -12.422 18.114 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.366 -8.734 19.526 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.832 -8.963 17.824 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.753 -10.362 18.921 1.00 0.00 H new ATOM 1165 N SER A 72 -7.545 -10.279 18.109 1.00 0.00 N ATOM 1166 CA SER A 72 -6.438 -10.772 18.875 1.00 0.00 C ATOM 1167 C SER A 72 -6.897 -11.483 20.096 1.00 0.00 C ATOM 1168 O SER A 72 -8.053 -11.396 20.512 1.00 0.00 O ATOM 1169 CB SER A 72 -5.446 -9.676 19.294 1.00 0.00 C ATOM 1170 OG SER A 72 -6.013 -8.787 20.237 1.00 0.00 O ATOM 0 H SER A 72 -7.771 -9.298 18.271 1.00 0.00 H new ATOM 0 HA SER A 72 -5.920 -11.461 18.208 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.554 -10.136 19.719 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.128 -9.118 18.414 1.00 0.00 H new ATOM 0 HG SER A 72 -5.353 -8.105 20.481 1.00 0.00 H new ATOM 1176 N LYS A 73 -5.945 -12.226 20.687 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.160 -12.964 21.887 1.00 0.00 C ATOM 1178 C LYS A 73 -5.033 -12.545 22.776 1.00 0.00 C ATOM 1179 O LYS A 73 -4.870 -13.060 23.881 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.114 -14.486 21.630 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.838 -15.357 22.668 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.358 -15.145 22.700 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.068 -16.114 23.650 1.00 0.00 C ATOM 1184 NZ LYS A 73 -10.527 -15.873 23.627 1.00 0.00 N ATOM 0 H LYS A 73 -4.998 -12.314 20.317 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.140 -12.767 22.321 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.548 -14.684 20.650 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.070 -14.797 21.585 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.631 -16.406 22.457 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.430 -15.144 23.656 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.572 -14.121 23.005 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.760 -15.268 21.694 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.857 -17.142 23.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.687 -15.987 24.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.999 -16.536 24.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.722 -14.897 23.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.887 -16.017 22.662 1.00 0.00 H new ATOM 1198 N SER A 74 -4.226 -11.575 22.288 1.00 0.00 N ATOM 1199 CA SER A 74 -3.158 -11.000 23.041 1.00 0.00 C ATOM 1200 C SER A 74 -3.485 -9.551 23.061 1.00 0.00 C ATOM 1201 O SER A 74 -3.080 -8.807 22.174 1.00 0.00 O ATOM 1202 CB SER A 74 -1.776 -11.205 22.396 1.00 0.00 C ATOM 1203 OG SER A 74 -0.771 -10.543 23.150 1.00 0.00 O ATOM 0 H SER A 74 -4.323 -11.187 21.350 1.00 0.00 H new ATOM 0 HA SER A 74 -3.084 -11.463 24.025 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.551 -12.270 22.335 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.784 -10.822 21.375 1.00 0.00 H new ATOM 0 HG SER A 74 0.102 -10.685 22.727 1.00 0.00 H new ATOM 1209 N SER A 75 -4.268 -9.157 24.084 1.00 0.00 N ATOM 1210 CA SER A 75 -4.765 -7.822 24.295 1.00 0.00 C ATOM 1211 C SER A 75 -3.664 -6.817 24.442 1.00 0.00 C ATOM 1212 O SER A 75 -2.705 -7.022 25.185 1.00 0.00 O ATOM 1213 CB SER A 75 -5.633 -7.721 25.557 1.00 0.00 C ATOM 1214 OG SER A 75 -6.761 -8.575 25.437 1.00 0.00 O ATOM 0 H SER A 75 -4.574 -9.806 24.809 1.00 0.00 H new ATOM 0 HA SER A 75 -5.356 -7.603 23.406 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.048 -7.998 26.434 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.959 -6.691 25.703 1.00 0.00 H new ATOM 0 HG SER A 75 -7.310 -8.507 26.246 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.808 -5.699 23.698 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.812 -4.671 23.609 1.00 0.00 C ATOM 1222 C PHE A 76 -3.329 -3.487 24.328 1.00 0.00 C ATOM 1223 O PHE A 76 -4.534 -3.320 24.508 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.543 -4.172 22.169 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.092 -5.279 21.277 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.057 -6.044 20.664 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.753 -5.520 20.995 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.696 -7.080 19.841 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.380 -6.559 20.156 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.367 -7.357 19.610 1.00 0.00 C ATOM 0 H PHE A 76 -4.642 -5.506 23.143 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.894 -5.100 24.012 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.450 -3.725 21.763 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.784 -3.390 22.191 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.102 -5.828 20.831 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.006 -4.890 21.435 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.459 -7.683 19.371 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.661 -6.741 19.934 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.094 -8.204 18.998 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.379 -2.626 24.733 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.643 -1.365 25.343 1.00 0.00 C ATOM 1242 C GLN A 77 -2.994 -0.492 24.199 1.00 0.00 C ATOM 1243 O GLN A 77 -2.400 -0.599 23.135 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.383 -0.908 26.125 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.539 -0.319 27.545 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.638 0.737 27.672 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -2.726 1.700 26.904 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.485 0.547 28.731 1.00 0.00 N ATOM 0 H GLN A 77 -1.383 -2.820 24.630 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.447 -1.364 26.079 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.716 -1.767 26.199 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.874 -0.161 25.516 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.750 -1.131 28.241 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.590 0.123 27.848 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.370 -0.266 29.336 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.231 1.218 28.914 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.009 0.369 24.375 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.547 1.116 23.281 1.00 0.00 C ATOM 1259 C VAL A 78 -4.860 2.462 23.858 1.00 0.00 C ATOM 1260 O VAL A 78 -5.253 2.570 25.015 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.759 0.394 22.715 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -7.031 1.255 22.566 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.285 -0.199 21.379 1.00 0.00 C ATOM 0 H VAL A 78 -4.458 0.549 25.273 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.864 1.223 22.438 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.092 -0.371 23.417 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.836 0.646 22.154 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.328 1.637 23.543 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.829 2.090 21.896 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.107 -0.738 20.908 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.954 0.605 20.721 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.457 -0.885 21.559 1.00 0.00 H new ATOM 1273 N THR A 79 -4.678 3.531 23.059 1.00 0.00 N ATOM 1274 CA THR A 79 -5.129 4.838 23.432 1.00 0.00 C ATOM 1275 C THR A 79 -5.915 5.291 22.258 1.00 0.00 C ATOM 1276 O THR A 79 -5.354 5.605 21.209 1.00 0.00 O ATOM 1277 CB THR A 79 -4.025 5.826 23.723 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.262 5.367 24.825 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.607 7.192 24.113 1.00 0.00 C ATOM 0 H THR A 79 -4.216 3.489 22.150 1.00 0.00 H new ATOM 0 HA THR A 79 -5.690 4.787 24.365 1.00 0.00 H new ATOM 0 HB THR A 79 -3.414 5.921 22.826 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.635 4.677 24.524 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.794 7.889 24.318 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.215 7.576 23.294 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.225 7.083 25.004 1.00 0.00 H new ATOM 1287 N THR A 80 -7.248 5.334 22.430 1.00 0.00 N ATOM 1288 CA THR A 80 -8.143 5.795 21.416 1.00 0.00 C ATOM 1289 C THR A 80 -8.251 7.272 21.598 1.00 0.00 C ATOM 1290 O THR A 80 -8.946 7.745 22.495 1.00 0.00 O ATOM 1291 CB THR A 80 -9.507 5.164 21.540 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.369 3.754 21.467 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.426 5.643 20.403 1.00 0.00 C ATOM 0 H THR A 80 -7.713 5.043 23.290 1.00 0.00 H new ATOM 0 HA THR A 80 -7.765 5.526 20.430 1.00 0.00 H new ATOM 0 HB THR A 80 -9.949 5.453 22.494 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.863 3.417 20.691 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.406 5.178 20.507 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.531 6.727 20.452 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.992 5.364 19.443 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.551 8.033 20.736 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.531 9.457 20.853 1.00 0.00 C ATOM 1303 C CYS A 81 -8.566 9.972 19.941 1.00 0.00 C ATOM 1304 O CYS A 81 -8.694 9.493 18.817 1.00 0.00 O ATOM 1305 CB CYS A 81 -6.212 10.062 20.402 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.855 9.045 20.978 1.00 0.00 S ATOM 0 H CYS A 81 -7.001 7.663 19.961 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.689 9.718 21.899 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.188 10.137 19.315 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.112 11.074 20.793 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.321 10.969 20.423 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.342 11.566 19.624 1.00 0.00 C ATOM 1313 C LYS A 82 -10.076 13.035 19.685 1.00 0.00 C ATOM 1314 O LYS A 82 -9.671 13.557 20.719 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.752 11.241 20.159 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.897 11.640 19.216 1.00 0.00 C ATOM 1317 CD LYS A 82 -14.296 11.188 19.671 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.684 9.755 19.269 1.00 0.00 C ATOM 1319 NZ LYS A 82 -13.958 8.731 20.055 1.00 0.00 N ATOM 0 H LYS A 82 -9.227 11.361 21.360 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.320 11.184 18.603 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.815 10.171 20.355 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.891 11.748 21.114 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.898 12.725 19.108 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.699 11.222 18.229 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.352 11.272 20.756 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.034 11.876 19.260 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.757 9.620 19.406 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.477 9.609 18.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.513 7.852 20.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.034 8.547 19.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.817 9.075 21.026 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.285 13.711 18.541 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.014 15.101 18.314 1.00 0.00 C ATOM 1335 C LEU A 83 -11.087 15.894 18.976 1.00 0.00 C ATOM 1336 O LEU A 83 -12.274 15.606 18.828 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.083 15.297 16.773 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.867 16.664 16.066 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.100 17.583 16.022 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.610 17.438 16.475 1.00 0.00 C ATOM 0 H LEU A 83 -10.671 13.254 17.715 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.047 15.416 18.707 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.351 14.612 16.345 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.067 14.945 16.464 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.690 16.335 15.042 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.845 18.510 15.509 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.908 17.083 15.488 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.422 17.808 17.039 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.562 18.374 15.919 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.646 17.652 17.543 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.726 16.840 16.254 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.660 16.933 19.718 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.561 17.847 20.351 1.00 0.00 C ATOM 1354 C HIS A 84 -11.001 19.203 20.101 1.00 0.00 C ATOM 1355 O HIS A 84 -9.845 19.344 19.707 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.688 17.608 21.862 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.404 16.322 22.139 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -11.917 15.071 22.284 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -13.768 16.229 22.160 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -12.989 14.230 22.403 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -14.097 14.955 22.326 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.675 17.142 19.881 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.564 17.720 19.944 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.697 17.583 22.315 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.228 18.436 22.322 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -14.459 17.052 22.059 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.941 13.159 22.537 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.048 14.592 22.385 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.843 20.237 20.312 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.482 21.600 20.050 1.00 0.00 C ATOM 1372 C GLY A 85 -12.373 22.087 18.961 1.00 0.00 C ATOM 1373 O GLY A 85 -12.910 23.192 19.028 1.00 0.00 O ATOM 0 H GLY A 85 -12.791 20.123 20.671 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.601 22.209 20.946 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.436 21.671 19.753 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.541 21.242 17.926 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.364 21.534 16.790 1.00 0.00 C ATOM 1379 C GLY A 86 -12.566 22.337 15.824 1.00 0.00 C ATOM 1380 O GLY A 86 -13.100 23.211 15.142 1.00 0.00 O ATOM 0 H GLY A 86 -12.091 20.328 17.878 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.707 20.611 16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.253 22.085 17.098 1.00 0.00 H new ATOM 1384 N SER A 87 -11.255 22.039 15.758 1.00 0.00 N ATOM 1385 CA SER A 87 -10.355 22.660 14.835 1.00 0.00 C ATOM 1386 C SER A 87 -10.053 21.607 13.809 1.00 0.00 C ATOM 1387 O SER A 87 -9.564 20.548 14.203 1.00 0.00 O ATOM 1388 CB SER A 87 -9.028 23.071 15.492 1.00 0.00 C ATOM 1389 OG SER A 87 -9.269 23.989 16.547 1.00 0.00 O ATOM 0 H SER A 87 -10.809 21.348 16.362 1.00 0.00 H new ATOM 0 HA SER A 87 -10.809 23.564 14.430 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.516 22.189 15.877 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.370 23.523 14.749 1.00 0.00 H new ATOM 0 HG SER A 87 -8.418 24.243 16.960 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.293 21.812 12.519 1.00 0.00 N ATOM 1396 CA PRO A 88 -9.888 20.864 11.516 1.00 0.00 C ATOM 1397 C PRO A 88 -8.430 21.066 11.266 1.00 0.00 C ATOM 1398 O PRO A 88 -7.766 20.115 10.865 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.666 21.247 10.255 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.850 22.074 10.762 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.290 22.740 12.017 1.00 0.00 C ATOM 0 HA PRO A 88 -10.073 19.830 11.807 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.046 21.823 9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.004 20.363 9.715 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.174 22.809 10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.713 21.447 10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.847 23.709 11.786 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.073 22.915 12.754 1.00 0.00 H new ATOM 1409 N TRP A 89 -7.936 22.302 11.451 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.607 22.668 11.083 1.00 0.00 C ATOM 1411 C TRP A 89 -5.778 22.676 12.328 1.00 0.00 C ATOM 1412 O TRP A 89 -6.354 22.825 13.404 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.605 24.063 10.442 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.534 24.083 9.255 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -8.774 24.641 9.140 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.296 23.354 8.040 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.312 24.329 7.914 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.416 23.531 7.231 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.239 22.586 7.639 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.494 22.944 6.001 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.322 21.984 6.402 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.432 22.160 5.595 1.00 0.00 C ATOM 0 H TRP A 89 -8.473 23.064 11.866 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.202 21.961 10.359 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -6.918 24.809 11.173 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.595 24.328 10.129 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.260 25.238 9.898 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.221 24.636 7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.371 22.456 8.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.357 23.088 5.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.507 21.365 6.057 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.469 21.676 4.630 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.460 22.524 12.250 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.622 22.413 13.415 1.00 0.00 C ATOM 1435 C PRO A 90 -3.496 23.797 14.019 1.00 0.00 C ATOM 1436 O PRO A 90 -3.513 24.741 13.230 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.270 21.914 12.891 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.300 22.169 11.381 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.784 22.070 11.049 1.00 0.00 C ATOM 0 HA PRO A 90 -4.010 21.738 14.178 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.445 22.447 13.363 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.131 20.855 13.108 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.894 23.148 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.714 21.430 10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.040 22.692 10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.066 21.048 10.798 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.356 24.011 15.327 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.087 22.993 16.309 1.00 0.00 C ATOM 1449 C PRO A 91 -4.368 22.352 16.721 1.00 0.00 C ATOM 1450 O PRO A 91 -5.447 22.884 16.457 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.522 23.718 17.520 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.030 25.052 16.977 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.966 25.323 15.801 1.00 0.00 C ATOM 0 HA PRO A 91 -2.409 22.235 15.916 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.283 23.859 18.288 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.710 23.153 17.977 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.091 25.839 17.729 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.989 24.997 16.658 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.834 25.905 16.112 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.464 25.893 15.019 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.232 21.183 17.366 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.332 20.293 17.607 1.00 0.00 C ATOM 1463 C CYS A 92 -5.027 19.524 18.846 1.00 0.00 C ATOM 1464 O CYS A 92 -4.038 18.794 18.905 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.525 19.267 16.473 1.00 0.00 C ATOM 1466 SG CYS A 92 -6.376 20.004 15.046 1.00 0.00 S ATOM 0 H CYS A 92 -3.341 20.844 17.730 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.238 20.894 17.684 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.554 18.882 16.160 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.100 18.418 16.843 1.00 0.00 H new ATOM 1471 N GLN A 93 -5.897 19.686 19.866 1.00 0.00 N ATOM 1472 CA GLN A 93 -5.732 19.031 21.133 1.00 0.00 C ATOM 1473 C GLN A 93 -6.515 17.761 21.112 1.00 0.00 C ATOM 1474 O GLN A 93 -7.733 17.771 20.945 1.00 0.00 O ATOM 1475 CB GLN A 93 -6.235 19.873 22.318 1.00 0.00 C ATOM 1476 CG GLN A 93 -5.491 21.205 22.456 1.00 0.00 C ATOM 1477 CD GLN A 93 -6.010 21.905 23.710 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -5.772 21.454 24.837 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -6.739 23.040 23.488 1.00 0.00 N ATOM 0 H GLN A 93 -6.725 20.279 19.811 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.664 18.863 21.272 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.300 20.068 22.193 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.121 19.301 23.239 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.417 21.036 22.530 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.656 21.827 21.576 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.902 23.363 22.534 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.120 23.564 24.276 1.00 0.00 H new ATOM 1488 N TYR A 94 -5.811 16.630 21.291 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.420 15.333 21.253 1.00 0.00 C ATOM 1490 C TYR A 94 -6.670 14.888 22.644 1.00 0.00 C ATOM 1491 O TYR A 94 -5.739 14.790 23.442 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.490 14.277 20.662 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.547 14.489 19.206 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.541 13.854 18.501 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.674 15.341 18.561 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.678 14.075 17.151 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.826 15.582 17.213 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.823 14.941 16.509 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.974 15.166 15.131 1.00 0.00 O ATOM 0 H TYR A 94 -4.806 16.613 21.465 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.323 15.424 20.650 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.473 14.392 21.038 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.816 13.271 20.927 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.216 13.180 19.008 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.875 15.817 19.110 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.455 13.570 16.596 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.165 16.272 16.709 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.750 14.666 14.801 1.00 0.00 H new ATOM 1509 N ARG A 95 -7.947 14.577 22.939 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.312 14.034 24.217 1.00 0.00 C ATOM 1511 C ARG A 95 -8.148 12.554 24.121 1.00 0.00 C ATOM 1512 O ARG A 95 -8.817 11.896 23.326 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.763 14.343 24.624 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.111 13.963 26.069 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.542 14.363 26.437 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.791 13.929 27.841 1.00 0.00 N ATOM 1517 CZ ARG A 95 -13.010 14.128 28.421 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.013 14.737 27.723 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -13.228 13.717 29.704 1.00 0.00 N ATOM 0 H ARG A 95 -8.728 14.701 22.294 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.675 14.488 24.976 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.947 15.409 24.487 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.437 13.814 23.950 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.990 12.888 26.201 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.412 14.448 26.750 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.674 15.441 26.342 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.256 13.894 25.760 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.045 13.480 28.372 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.853 15.045 26.764 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.923 14.884 28.161 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.480 13.262 30.228 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.139 13.865 30.139 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.240 12.007 24.951 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.945 10.607 24.939 1.00 0.00 C ATOM 1535 C ALA A 96 -7.899 9.885 25.833 1.00 0.00 C ATOM 1536 O ALA A 96 -8.184 10.341 26.939 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.555 10.326 25.515 1.00 0.00 C ATOM 0 H ALA A 96 -6.706 12.541 25.637 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.012 10.278 23.902 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.361 9.254 25.492 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.803 10.843 24.919 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.509 10.681 26.545 1.00 0.00 H new ATOM 1543 N THR A 97 -8.391 8.717 25.360 1.00 0.00 N ATOM 1544 CA THR A 97 -9.191 7.835 26.163 1.00 0.00 C ATOM 1545 C THR A 97 -8.430 6.548 26.182 1.00 0.00 C ATOM 1546 O THR A 97 -8.303 5.886 25.156 1.00 0.00 O ATOM 1547 CB THR A 97 -10.572 7.602 25.594 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.200 8.855 25.361 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.433 6.789 26.579 1.00 0.00 C ATOM 0 H THR A 97 -8.231 8.382 24.410 1.00 0.00 H new ATOM 0 HA THR A 97 -9.354 8.264 27.152 1.00 0.00 H new ATOM 0 HB THR A 97 -10.476 7.046 24.662 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.095 8.708 24.990 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.423 6.631 26.152 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.960 5.825 26.765 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.525 7.335 27.518 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.899 6.174 27.364 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.080 5.001 27.492 1.00 0.00 C ATOM 1559 C ALA A 98 -7.942 3.787 27.630 1.00 0.00 C ATOM 1560 O ALA A 98 -9.033 3.839 28.199 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.169 5.048 28.727 1.00 0.00 C ATOM 0 H ALA A 98 -8.037 6.686 28.235 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.464 4.962 26.593 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.573 4.137 28.774 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.507 5.912 28.658 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.779 5.129 29.626 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.441 2.649 27.111 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.136 1.400 27.204 1.00 0.00 C ATOM 1569 C GLY A 99 -7.103 0.330 27.075 1.00 0.00 C ATOM 1570 O GLY A 99 -5.920 0.616 26.910 1.00 0.00 O ATOM 0 H GLY A 99 -6.547 2.595 26.623 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.662 1.319 28.155 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.885 1.313 26.417 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.533 -0.940 27.156 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.640 -2.054 27.025 1.00 0.00 C ATOM 1576 C PHE A 100 -7.555 -3.138 26.565 1.00 0.00 C ATOM 1577 O PHE A 100 -8.380 -3.618 27.340 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.966 -2.436 28.367 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.992 -3.568 28.233 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.678 -3.342 27.861 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.371 -4.855 28.575 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.772 -4.380 27.804 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.467 -5.896 28.520 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.164 -5.661 28.133 1.00 0.00 C ATOM 0 H PHE A 100 -8.507 -1.200 27.313 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.808 -1.850 26.351 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.449 -1.565 28.768 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.736 -2.710 29.089 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.359 -2.341 27.612 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.387 -5.046 28.889 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.753 -4.190 27.501 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.780 -6.896 28.780 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.455 -6.475 28.088 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.454 -3.527 25.276 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.393 -4.472 24.748 1.00 0.00 C ATOM 1596 C ARG A 101 -7.775 -5.220 23.620 1.00 0.00 C ATOM 1597 O ARG A 101 -6.701 -4.874 23.131 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.720 -3.856 24.245 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.602 -2.848 23.086 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.959 -2.561 22.431 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.385 -3.791 21.690 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.598 -4.399 21.865 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.522 -3.902 22.736 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -12.887 -5.529 21.153 1.00 0.00 N ATOM 0 H ARG A 101 -6.746 -3.199 24.619 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.643 -5.123 25.586 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.377 -4.667 23.929 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.207 -3.359 25.084 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.175 -1.917 23.458 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.913 -3.237 22.336 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.698 -2.296 23.187 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.882 -1.713 21.750 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.735 -4.198 21.018 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.315 -3.060 23.273 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.420 -4.372 22.850 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.202 -5.910 20.500 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.788 -5.992 21.274 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.494 -6.271 23.183 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.104 -7.112 22.095 1.00 0.00 C ATOM 1620 C ASN A 102 -8.555 -6.459 20.830 1.00 0.00 C ATOM 1621 O ASN A 102 -9.728 -6.129 20.668 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.666 -8.549 22.197 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.118 -8.591 22.692 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.417 -8.353 23.868 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.035 -8.966 21.751 1.00 0.00 N ATOM 0 H ASN A 102 -9.381 -6.545 23.605 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.020 -7.223 22.118 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.607 -9.026 21.219 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.040 -9.131 22.874 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.018 -9.061 22.006 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.737 -9.151 20.793 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.592 -6.238 19.909 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.807 -5.375 18.780 1.00 0.00 C ATOM 1634 C VAL A 103 -8.134 -6.210 17.586 1.00 0.00 C ATOM 1635 O VAL A 103 -7.570 -7.289 17.401 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.635 -4.450 18.472 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.354 -3.600 19.727 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.376 -5.224 18.026 1.00 0.00 C ATOM 0 H VAL A 103 -6.663 -6.658 19.946 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.638 -4.718 19.037 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.899 -3.807 17.632 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.518 -2.928 19.532 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.239 -3.015 19.976 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.106 -4.255 20.562 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.570 -4.520 17.819 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.068 -5.905 18.819 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.600 -5.795 17.125 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.056 -5.706 16.736 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.309 -6.311 15.463 1.00 0.00 C ATOM 1650 C VAL A 104 -8.455 -5.543 14.507 1.00 0.00 C ATOM 1651 O VAL A 104 -8.586 -4.328 14.380 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.752 -6.217 15.001 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.932 -6.938 13.648 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.668 -6.871 16.045 1.00 0.00 C ATOM 0 H VAL A 104 -9.623 -4.881 16.933 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.093 -7.378 15.522 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.013 -5.165 14.882 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.972 -6.862 13.330 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.289 -6.474 12.900 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.662 -7.988 13.757 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.704 -6.803 15.713 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.393 -7.919 16.165 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.558 -6.356 16.999 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.566 -6.266 13.803 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.758 -5.730 12.735 1.00 0.00 C ATOM 1666 C VAL A 105 -7.127 -6.617 11.572 1.00 0.00 C ATOM 1667 O VAL A 105 -7.646 -7.710 11.794 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.279 -5.815 13.013 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.874 -4.531 13.709 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.877 -6.944 13.960 1.00 0.00 C ATOM 0 H VAL A 105 -7.399 -7.257 13.977 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.942 -4.668 12.574 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.795 -5.992 12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.806 -4.556 13.927 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.092 -3.682 13.062 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.432 -4.430 14.640 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.797 -6.931 14.104 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.373 -6.807 14.921 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.174 -7.901 13.532 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.881 -6.184 10.310 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.153 -7.016 9.155 1.00 0.00 C ATOM 1682 C ALA A 106 -5.857 -7.442 8.541 1.00 0.00 C ATOM 1683 O ALA A 106 -4.967 -6.609 8.343 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.990 -6.348 8.056 1.00 0.00 C ATOM 0 H ALA A 106 -6.497 -5.266 10.087 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.740 -7.852 9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.139 -7.050 7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.958 -6.054 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.468 -5.465 7.688 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.753 -8.771 8.258 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.562 -9.426 7.768 1.00 0.00 C ATOM 1692 C CYS A 107 -4.653 -9.563 6.282 1.00 0.00 C ATOM 1693 O CYS A 107 -5.735 -9.746 5.725 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.393 -10.889 8.273 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.718 -11.577 8.092 1.00 0.00 S ATOM 0 H CYS A 107 -6.536 -9.414 8.377 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.734 -8.810 8.120 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.674 -10.929 9.325 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.092 -11.527 7.732 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.481 -9.524 5.620 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.333 -9.943 4.260 1.00 0.00 C ATOM 1702 C GLU A 108 -1.964 -10.543 4.204 1.00 0.00 C ATOM 1703 O GLU A 108 -0.990 -9.877 4.545 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.405 -8.782 3.245 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.341 -9.218 1.777 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.499 -7.974 0.916 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.615 -7.079 0.997 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.507 -7.902 0.162 1.00 0.00 O ATOM 0 H GLU A 108 -2.614 -9.192 6.042 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.141 -10.623 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.331 -8.231 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.585 -8.092 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.392 -9.711 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.130 -9.938 1.557 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.881 -11.820 3.760 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.687 -12.602 3.492 1.00 0.00 C ATOM 1717 C ASN A 109 0.192 -12.923 4.675 1.00 0.00 C ATOM 1718 O ASN A 109 1.359 -13.271 4.497 1.00 0.00 O ATOM 1719 CB ASN A 109 0.185 -12.146 2.282 1.00 0.00 C ATOM 1720 CG ASN A 109 0.956 -10.824 2.452 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.965 -10.727 3.160 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.464 -9.778 1.722 1.00 0.00 N ATOM 0 H ASN A 109 -2.726 -12.358 3.570 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.170 -13.535 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.904 -12.935 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.462 -12.054 1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.933 -8.873 1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.372 -9.903 1.151 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.342 -12.841 5.912 1.00 0.00 N ATOM 1730 CA GLY A 110 0.432 -13.118 7.092 1.00 0.00 C ATOM 1731 C GLY A 110 1.104 -11.857 7.539 1.00 0.00 C ATOM 1732 O GLY A 110 2.074 -11.897 8.292 1.00 0.00 O ATOM 0 H GLY A 110 -1.311 -12.583 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.212 -13.503 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.175 -13.887 6.883 1.00 0.00 H new ATOM 1736 N LEU A 111 0.576 -10.705 7.078 1.00 0.00 N ATOM 1737 CA LEU A 111 1.079 -9.418 7.462 1.00 0.00 C ATOM 1738 C LEU A 111 -0.148 -8.701 7.880 1.00 0.00 C ATOM 1739 O LEU A 111 -1.186 -8.918 7.267 1.00 0.00 O ATOM 1740 CB LEU A 111 1.516 -8.562 6.267 1.00 0.00 C ATOM 1741 CG LEU A 111 2.799 -7.730 6.345 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.933 -8.245 7.226 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.295 -7.425 4.925 1.00 0.00 C ATOM 0 H LEU A 111 -0.211 -10.666 6.430 1.00 0.00 H new ATOM 0 HA LEU A 111 1.901 -9.551 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.615 -9.229 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.699 -7.876 6.045 1.00 0.00 H new ATOM 0 HG LEU A 111 2.496 -6.826 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.773 -7.552 7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.585 -8.327 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.252 -9.225 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.208 -6.833 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.498 -8.359 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.531 -6.866 4.385 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.100 -7.826 8.839 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.138 -6.864 9.022 1.00 0.00 C ATOM 1757 C PRO A 112 -1.094 -5.888 7.899 1.00 0.00 C ATOM 1758 O PRO A 112 -0.019 -5.595 7.387 1.00 0.00 O ATOM 1759 CB PRO A 112 -0.798 -6.195 10.350 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.043 -7.276 11.123 1.00 0.00 C ATOM 1761 CD PRO A 112 0.674 -8.062 10.032 1.00 0.00 C ATOM 0 HA PRO A 112 -2.140 -7.294 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.185 -5.306 10.204 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.697 -5.879 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 112 0.661 -6.843 11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.722 -7.910 11.693 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.702 -7.722 9.910 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.716 -9.124 10.272 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.270 -5.381 7.502 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.338 -4.366 6.498 1.00 0.00 C ATOM 1771 C VAL A 113 -3.170 -3.243 6.991 1.00 0.00 C ATOM 1772 O VAL A 113 -2.948 -2.106 6.580 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.907 -4.801 5.165 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.761 -5.294 4.270 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.979 -5.886 5.352 1.00 0.00 C ATOM 0 H VAL A 113 -3.174 -5.672 7.874 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.300 -4.086 6.318 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.394 -3.953 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.162 -5.610 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.045 -4.486 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.262 -6.136 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.372 -6.181 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.537 -6.753 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.789 -5.495 5.967 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.173 -3.529 7.845 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.169 -2.522 8.081 1.00 0.00 C ATOM 1787 C HIS A 114 -5.596 -2.626 9.487 1.00 0.00 C ATOM 1788 O HIS A 114 -5.173 -3.520 10.219 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.455 -2.734 7.263 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.267 -2.893 5.799 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.505 -3.999 5.077 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -5.884 -1.909 4.934 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.258 -3.691 3.768 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.884 -2.418 3.709 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.295 -4.407 8.349 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.716 -1.568 7.810 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.964 -3.619 7.644 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -7.118 -1.886 7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.626 -0.895 5.200 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.351 -4.365 2.929 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.636 -1.913 2.858 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.466 -1.677 9.868 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.047 -1.641 11.163 1.00 0.00 C ATOM 1805 C LEU A 115 -8.510 -1.609 10.940 1.00 0.00 C ATOM 1806 O LEU A 115 -8.990 -0.897 10.058 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.700 -0.347 11.909 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.737 -0.438 13.457 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.368 -1.720 14.206 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.061 0.736 14.145 1.00 0.00 C ATOM 0 H LEU A 115 -6.770 -0.918 9.258 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.690 -2.490 11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.703 -0.029 11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.393 0.432 11.592 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.824 -0.428 13.542 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.465 -1.555 15.279 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.037 -2.525 13.901 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.339 -1.995 13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.123 0.609 15.226 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.014 0.780 13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.560 1.662 13.859 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.253 -2.364 11.764 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.663 -2.205 11.822 1.00 0.00 C ATOM 1824 C ASP A 116 -10.891 -1.161 12.853 1.00 0.00 C ATOM 1825 O ASP A 116 -10.403 -1.258 13.977 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.394 -3.472 12.262 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.442 -4.425 11.078 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.368 -4.955 10.689 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.565 -4.631 10.545 1.00 0.00 O ATOM 0 H ASP A 116 -8.877 -3.080 12.386 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.043 -1.954 10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.879 -3.936 13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.403 -3.232 12.599 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.673 -0.136 12.460 1.00 0.00 N ATOM 1835 CA GLN A 117 -12.083 0.939 13.313 1.00 0.00 C ATOM 1836 C GLN A 117 -13.541 0.695 13.539 1.00 0.00 C ATOM 1837 O GLN A 117 -14.375 1.566 13.309 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.899 2.321 12.652 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.427 2.702 12.443 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.774 2.752 13.820 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.976 1.884 14.185 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -10.169 3.783 14.621 1.00 0.00 N ATOM 0 H GLN A 117 -12.034 -0.054 11.510 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.488 0.958 14.226 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.409 2.326 11.689 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.379 3.079 13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.927 1.972 11.807 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.347 3.668 11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.832 4.475 14.272 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.802 3.862 15.569 1.00 0.00 H new ATOM 1851 N SER A 118 -13.876 -0.537 13.966 1.00 0.00 N ATOM 1852 CA SER A 118 -15.232 -0.972 14.105 1.00 0.00 C ATOM 1853 C SER A 118 -15.721 -0.597 15.462 1.00 0.00 C ATOM 1854 O SER A 118 -16.836 -0.100 15.605 1.00 0.00 O ATOM 1855 CB SER A 118 -15.379 -2.495 13.951 1.00 0.00 C ATOM 1856 OG SER A 118 -16.739 -2.876 14.107 1.00 0.00 O ATOM 0 H SER A 118 -13.189 -1.247 14.220 1.00 0.00 H new ATOM 0 HA SER A 118 -15.811 -0.491 13.317 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.017 -2.805 12.971 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.764 -3.004 14.693 1.00 0.00 H new ATOM 0 HG SER A 118 -16.820 -3.847 14.005 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.881 -0.849 16.493 1.00 0.00 N ATOM 1863 CA ILE A 119 -15.278 -0.666 17.861 1.00 0.00 C ATOM 1864 C ILE A 119 -14.935 0.739 18.207 1.00 0.00 C ATOM 1865 O ILE A 119 -15.547 1.345 19.084 1.00 0.00 O ATOM 1866 CB ILE A 119 -14.669 -1.666 18.848 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -13.349 -1.284 19.566 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.435 -2.955 18.048 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -13.526 -0.600 20.931 1.00 0.00 C ATOM 0 H ILE A 119 -13.924 -1.181 16.376 1.00 0.00 H new ATOM 0 HA ILE A 119 -16.347 -0.860 17.950 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.380 -1.736 19.672 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.753 -2.187 19.703 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.778 -0.621 18.916 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.999 -3.713 18.699 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.385 -3.317 17.655 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.754 -2.752 17.221 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.547 -0.372 21.353 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.091 0.324 20.805 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.066 -1.266 21.604 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.892 1.255 17.521 1.00 0.00 N ATOM 1882 CA PHE A 120 -13.215 2.456 17.887 1.00 0.00 C ATOM 1883 C PHE A 120 -13.943 3.638 17.331 1.00 0.00 C ATOM 1884 O PHE A 120 -13.804 4.745 17.849 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.770 2.462 17.359 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.989 1.329 17.959 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.747 1.299 19.321 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -10.472 0.310 17.173 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -10.004 0.282 19.886 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -9.733 -0.711 17.737 1.00 0.00 C ATOM 1891 CZ PHE A 120 -9.496 -0.727 19.095 1.00 0.00 C ATOM 0 H PHE A 120 -13.511 0.816 16.683 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.190 2.509 18.975 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.773 2.375 16.272 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.291 3.411 17.602 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.145 2.081 19.950 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.649 0.315 16.108 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.820 0.277 20.950 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -9.340 -1.499 17.112 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.916 -1.524 19.536 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.753 3.418 16.270 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.603 4.458 15.740 1.00 0.00 C ATOM 1903 C ARG A 121 -16.834 4.593 16.571 1.00 0.00 C ATOM 1904 O ARG A 121 -17.363 5.694 16.718 1.00 0.00 O ATOM 1905 CB ARG A 121 -16.112 4.221 14.305 1.00 0.00 C ATOM 1906 CG ARG A 121 -15.123 4.643 13.208 1.00 0.00 C ATOM 1907 CD ARG A 121 -14.928 6.157 13.068 1.00 0.00 C ATOM 1908 NE ARG A 121 -16.216 6.769 12.635 1.00 0.00 N ATOM 1909 CZ ARG A 121 -16.335 8.124 12.515 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -15.272 8.938 12.780 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -17.526 8.668 12.125 1.00 0.00 N ATOM 0 H ARG A 121 -14.821 2.526 15.780 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.964 5.341 15.748 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.342 3.163 14.183 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -17.045 4.768 14.167 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -14.156 4.184 13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -15.469 4.245 12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -14.607 6.586 14.017 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -14.145 6.371 12.341 1.00 0.00 H new ATOM 0 HE ARG A 121 -17.015 6.171 12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -14.381 8.535 13.070 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -15.369 9.949 12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -18.322 8.062 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -17.619 9.680 12.034 1.00 0.00 H new ATOM 1925 N ARG A 122 -17.324 3.459 17.108 1.00 0.00 N ATOM 1926 CA ARG A 122 -18.526 3.434 17.891 1.00 0.00 C ATOM 1927 C ARG A 122 -18.207 3.922 19.279 1.00 0.00 C ATOM 1928 O ARG A 122 -17.098 3.682 19.755 1.00 0.00 O ATOM 1929 CB ARG A 122 -19.105 2.012 18.038 1.00 0.00 C ATOM 1930 CG ARG A 122 -19.680 1.432 16.735 1.00 0.00 C ATOM 1931 CD ARG A 122 -20.906 2.178 16.191 1.00 0.00 C ATOM 1932 NE ARG A 122 -21.976 2.141 17.230 1.00 0.00 N ATOM 1933 CZ ARG A 122 -23.111 2.888 17.096 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -23.302 3.663 15.989 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -24.060 2.861 18.078 1.00 0.00 N ATOM 0 H ARG A 122 -16.881 2.547 16.998 1.00 0.00 H new ATOM 0 HA ARG A 122 -19.256 4.062 17.381 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -18.322 1.348 18.404 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -19.890 2.027 18.794 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -18.900 1.439 15.974 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -19.951 0.390 16.905 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -20.647 3.209 15.949 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -21.255 1.713 15.269 1.00 0.00 H new ATOM 0 HE ARG A 122 -21.858 1.549 18.052 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -22.594 3.687 15.255 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -24.152 4.218 15.896 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -23.919 2.284 18.907 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -24.909 3.418 17.982 1.00 0.00 H new ATOM 1949 N PRO A 123 -19.111 4.591 19.975 1.00 0.00 N ATOM 1950 CA PRO A 123 -18.898 4.952 21.345 1.00 0.00 C ATOM 1951 C PRO A 123 -18.999 3.667 22.125 1.00 0.00 C ATOM 1952 O PRO A 123 -18.179 3.488 23.066 1.00 0.00 O ATOM 1953 CB PRO A 123 -20.036 5.922 21.679 1.00 0.00 C ATOM 1954 CG PRO A 123 -21.137 5.608 20.660 1.00 0.00 C ATOM 1955 CD PRO A 123 -20.357 5.112 19.442 1.00 0.00 C ATOM 1956 OXT PRO A 123 -19.912 2.844 21.838 1.00 0.00 O ATOM 0 HA PRO A 123 -17.940 5.423 21.565 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -20.390 5.778 22.700 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -19.708 6.958 21.599 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -21.826 4.850 21.033 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -21.731 6.491 20.425 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -20.910 4.340 18.908 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -20.175 5.921 18.735 1.00 0.00 H new TER 1964 PRO A 123