USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 923 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 170:sc= 0 USER MOD Set 1.2: A 117 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Set 2.1: A 25 TYR OH : rot 22:sc= 0.31 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -1.62 K(o=-0.6,f=-7.9!) USER MOD Set 2.3: A 79 THR OG1 : rot 78:sc= 0.717 USER MOD Set 3.1: A 30 MET CE :methyl 179:sc= -0.0466 (180deg=-0.0558) USER MOD Set 3.2: A 94 TYR OH : rot -11:sc= 0.161 USER MOD Set 4.1: A 4 SER OG : rot -48:sc= 0.231 USER MOD Set 4.2: A 8 HIS :FLIP no HD1:sc= -0.511 F(o=-0.97,f=-0.28) USER MOD Single : A 3 ASN : amide:sc=-0.00089 X(o=-0.00089,f=-0.39) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -0:sc= 0.886 USER MOD Single : A 11 THR OG1 : rot 62:sc= 1.03 USER MOD Single : A 12 GLN : amide:sc= -0.0937 K(o=-0.094,f=-1.9!) USER MOD Single : A 13 HIS : no HE2:sc= -1.91 X(o=-1.9,f=-2.4) USER MOD Single : A 14 TYR OH : rot -66:sc= 0.145 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 28 SER OG : rot 90:sc= 0.225 USER MOD Single : A 36 THR OG1 : rot -36:sc= 0.393 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.157 K(o=0.16,f=-2!) USER MOD Single : A 49 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0784) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.5) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -4.37! C(o=-11!,f=-4.4!) USER MOD Single : A 68 ASN : amide:sc= -1.03 X(o=-1,f=-0.72) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0275 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 -116:sc= 0.813 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.129 F(o=-1.1,f=-0.13) USER MOD Single : A 87 SER OG : rot 73:sc= 0.628 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.995 X(o=-1,f=-1) USER MOD Single : A 109 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.58) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -1.88! C(o=-3.8!,f=-1.9!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.853 -4.811 2.082 1.00 0.00 N ATOM 33 CA ASN A 3 5.293 -5.108 3.409 1.00 0.00 C ATOM 34 C ASN A 3 5.180 -3.827 4.163 1.00 0.00 C ATOM 35 O ASN A 3 5.058 -3.813 5.386 1.00 0.00 O ATOM 36 CB ASN A 3 6.752 -5.603 3.449 1.00 0.00 C ATOM 37 CG ASN A 3 7.117 -6.043 4.867 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.479 -6.925 5.452 1.00 0.00 O ATOM 39 ND2 ASN A 3 8.195 -5.403 5.417 1.00 0.00 N ATOM 0 HA ASN A 3 4.689 -5.909 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.881 -6.435 2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.423 -4.809 3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.509 -5.648 6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.685 -4.682 4.887 1.00 0.00 H new ATOM 46 N SER A 4 5.217 -2.709 3.408 1.00 0.00 N ATOM 47 CA SER A 4 5.130 -1.393 3.960 1.00 0.00 C ATOM 48 C SER A 4 3.698 -0.941 4.009 1.00 0.00 C ATOM 49 O SER A 4 3.428 0.171 4.446 1.00 0.00 O ATOM 50 CB SER A 4 5.961 -0.374 3.159 1.00 0.00 C ATOM 51 OG SER A 4 6.195 0.801 3.921 1.00 0.00 O ATOM 0 H SER A 4 5.309 -2.723 2.392 1.00 0.00 H new ATOM 0 HA SER A 4 5.537 -1.442 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.913 -0.821 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.438 -0.117 2.238 1.00 0.00 H new ATOM 0 HG SER A 4 5.352 1.109 4.315 1.00 0.00 H new ATOM 57 N ARG A 5 2.735 -1.786 3.570 1.00 0.00 N ATOM 58 CA ARG A 5 1.337 -1.471 3.694 1.00 0.00 C ATOM 59 C ARG A 5 0.958 -1.672 5.128 1.00 0.00 C ATOM 60 O ARG A 5 0.246 -0.848 5.707 1.00 0.00 O ATOM 61 CB ARG A 5 0.429 -2.341 2.794 1.00 0.00 C ATOM 62 CG ARG A 5 -1.078 -2.024 2.868 1.00 0.00 C ATOM 63 CD ARG A 5 -1.430 -0.571 2.524 1.00 0.00 C ATOM 64 NE ARG A 5 -2.902 -0.403 2.684 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.458 0.844 2.692 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.671 1.951 2.545 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.806 0.987 2.844 1.00 0.00 N ATOM 0 H ARG A 5 2.926 -2.686 3.130 1.00 0.00 H new ATOM 0 HA ARG A 5 1.189 -0.441 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.756 -2.228 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.576 -3.387 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.612 -2.687 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.436 -2.245 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.895 0.116 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.129 -0.337 1.503 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.498 -1.224 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.663 1.848 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.092 2.880 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.397 0.163 2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.223 1.918 2.850 1.00 0.00 H new ATOM 81 N TYR A 6 1.452 -2.780 5.726 1.00 0.00 N ATOM 82 CA TYR A 6 1.315 -3.052 7.108 1.00 0.00 C ATOM 83 C TYR A 6 1.958 -2.022 7.964 1.00 0.00 C ATOM 84 O TYR A 6 1.314 -1.582 8.907 1.00 0.00 O ATOM 85 CB TYR A 6 1.971 -4.399 7.284 1.00 0.00 C ATOM 86 CG TYR A 6 2.587 -4.700 8.579 1.00 0.00 C ATOM 87 CD1 TYR A 6 1.875 -4.727 9.749 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.871 -5.187 8.544 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.434 -5.263 10.878 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.427 -5.750 9.667 1.00 0.00 C ATOM 91 CZ TYR A 6 3.712 -5.780 10.850 1.00 0.00 C ATOM 92 OH TYR A 6 4.269 -6.353 12.012 1.00 0.00 O ATOM 0 H TYR A 6 1.962 -3.503 5.219 1.00 0.00 H new ATOM 0 HA TYR A 6 0.269 -3.044 7.416 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.221 -5.164 7.085 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.739 -4.499 6.517 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.873 -4.326 9.781 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.445 -5.127 7.631 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.869 -5.281 11.798 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.422 -6.169 9.626 1.00 0.00 H new ATOM 0 HH TYR A 6 5.176 -6.670 11.818 1.00 0.00 H new ATOM 102 N THR A 7 3.218 -1.618 7.699 1.00 0.00 N ATOM 103 CA THR A 7 3.833 -0.628 8.542 1.00 0.00 C ATOM 104 C THR A 7 3.613 0.804 8.084 1.00 0.00 C ATOM 105 O THR A 7 4.127 1.741 8.684 1.00 0.00 O ATOM 106 CB THR A 7 5.179 -1.048 9.111 1.00 0.00 C ATOM 107 OG1 THR A 7 5.950 0.016 9.650 1.00 0.00 O ATOM 108 CG2 THR A 7 6.007 -1.834 8.091 1.00 0.00 C ATOM 0 H THR A 7 3.795 -1.960 6.931 1.00 0.00 H new ATOM 0 HA THR A 7 3.266 -0.588 9.472 1.00 0.00 H new ATOM 0 HB THR A 7 4.927 -1.697 9.949 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.461 0.859 9.548 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.961 -2.116 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.465 -2.733 7.797 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.186 -1.214 7.212 1.00 0.00 H new ATOM 116 N HIS A 8 2.741 1.032 7.072 1.00 0.00 N ATOM 117 CA HIS A 8 2.095 2.316 6.919 1.00 0.00 C ATOM 118 C HIS A 8 0.992 2.397 7.923 1.00 0.00 C ATOM 119 O HIS A 8 0.793 3.438 8.551 1.00 0.00 O ATOM 120 CB HIS A 8 1.460 2.581 5.545 1.00 0.00 C ATOM 121 CG HIS A 8 2.476 2.897 4.492 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.816 3.066 4.584 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 2.130 3.101 3.185 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 4.268 3.371 3.329 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 3.230 3.386 2.502 1.00 0.00 N flip ATOM 0 H HIS A 8 2.485 0.340 6.368 1.00 0.00 H new ATOM 0 HA HIS A 8 2.884 3.057 7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.886 1.706 5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.758 3.410 5.627 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.131 3.040 2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.295 3.566 3.058 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.272 3.585 1.502 1.00 0.00 H new ATOM 134 N PHE A 9 0.278 1.264 8.105 1.00 0.00 N ATOM 135 CA PHE A 9 -0.712 1.083 9.142 1.00 0.00 C ATOM 136 C PHE A 9 -0.085 1.150 10.513 1.00 0.00 C ATOM 137 O PHE A 9 -0.764 1.551 11.447 1.00 0.00 O ATOM 138 CB PHE A 9 -1.554 -0.212 8.938 1.00 0.00 C ATOM 139 CG PHE A 9 -2.062 -0.873 10.192 1.00 0.00 C ATOM 140 CD1 PHE A 9 -3.172 -0.381 10.864 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.497 -2.062 10.633 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.680 -1.051 11.961 1.00 0.00 C ATOM 143 CE2 PHE A 9 -2.045 -2.758 11.693 1.00 0.00 C ATOM 144 CZ PHE A 9 -3.136 -2.245 12.362 1.00 0.00 C ATOM 0 H PHE A 9 0.391 0.442 7.511 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.415 1.913 9.067 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.409 0.030 8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.947 -0.934 8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.642 0.531 10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.617 -2.448 10.141 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.512 -0.631 12.507 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.619 -3.703 11.997 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.561 -2.781 13.198 1.00 0.00 H new ATOM 154 N LEU A 10 1.205 0.777 10.680 1.00 0.00 N ATOM 155 CA LEU A 10 1.917 0.909 11.931 1.00 0.00 C ATOM 156 C LEU A 10 2.689 2.194 12.070 1.00 0.00 C ATOM 157 O LEU A 10 3.144 2.497 13.171 1.00 0.00 O ATOM 158 CB LEU A 10 2.897 -0.236 12.186 1.00 0.00 C ATOM 159 CG LEU A 10 2.229 -1.624 12.252 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.196 -2.614 12.887 1.00 0.00 C ATOM 161 CD2 LEU A 10 0.906 -1.692 13.032 1.00 0.00 C ATOM 0 H LEU A 10 1.768 0.374 9.931 1.00 0.00 H new ATOM 0 HA LEU A 10 1.114 0.893 12.668 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.648 -0.242 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.422 -0.051 13.123 1.00 0.00 H new ATOM 0 HG LEU A 10 1.985 -1.866 11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.729 -3.598 12.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.103 -2.673 12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.449 -2.281 13.894 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.525 -2.713 13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.076 -1.386 14.064 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.177 -1.025 12.571 1.00 0.00 H new ATOM 173 N THR A 11 2.849 3.003 10.993 1.00 0.00 N ATOM 174 CA THR A 11 3.316 4.365 11.148 1.00 0.00 C ATOM 175 C THR A 11 2.231 5.126 11.840 1.00 0.00 C ATOM 176 O THR A 11 2.499 5.915 12.748 1.00 0.00 O ATOM 177 CB THR A 11 3.685 5.072 9.857 1.00 0.00 C ATOM 178 OG1 THR A 11 4.798 4.419 9.267 1.00 0.00 O ATOM 179 CG2 THR A 11 4.084 6.543 10.099 1.00 0.00 C ATOM 0 H THR A 11 2.660 2.723 10.031 1.00 0.00 H new ATOM 0 HA THR A 11 4.244 4.325 11.718 1.00 0.00 H new ATOM 0 HB THR A 11 2.809 5.042 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.558 3.493 9.052 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.340 7.011 9.149 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.249 7.077 10.553 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.945 6.581 10.766 1.00 0.00 H new ATOM 187 N GLN A 12 0.981 4.873 11.416 1.00 0.00 N ATOM 188 CA GLN A 12 -0.182 5.384 12.078 1.00 0.00 C ATOM 189 C GLN A 12 -0.331 4.772 13.433 1.00 0.00 C ATOM 190 O GLN A 12 -0.219 5.467 14.436 1.00 0.00 O ATOM 191 CB GLN A 12 -1.482 5.087 11.301 1.00 0.00 C ATOM 192 CG GLN A 12 -1.538 5.621 9.865 1.00 0.00 C ATOM 193 CD GLN A 12 -1.519 7.144 9.870 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.408 7.791 10.434 1.00 0.00 O ATOM 195 NE2 GLN A 12 -0.470 7.706 9.196 1.00 0.00 N ATOM 0 H GLN A 12 0.772 4.302 10.597 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.036 6.462 12.144 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.627 4.007 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.320 5.507 11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.690 5.241 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.441 5.263 9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.229 7.110 8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.387 8.721 9.136 1.00 0.00 H new ATOM 204 N HIS A 13 -0.633 3.467 13.487 1.00 0.00 N ATOM 205 CA HIS A 13 -1.318 2.909 14.608 1.00 0.00 C ATOM 206 C HIS A 13 -0.457 2.055 15.481 1.00 0.00 C ATOM 207 O HIS A 13 -0.992 1.434 16.390 1.00 0.00 O ATOM 208 CB HIS A 13 -2.494 2.028 14.159 1.00 0.00 C ATOM 209 CG HIS A 13 -3.511 2.772 13.344 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.557 3.439 13.914 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.674 2.847 12.004 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.354 3.874 12.949 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.835 3.535 11.777 1.00 0.00 N ATOM 0 H HIS A 13 -0.403 2.796 12.754 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.653 3.777 15.176 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.111 1.191 13.575 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.980 1.606 15.039 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.701 3.579 14.914 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.012 2.440 11.254 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.277 4.417 13.094 1.00 0.00 H new ATOM 222 N TYR A 14 0.871 1.979 15.263 1.00 0.00 N ATOM 223 CA TYR A 14 1.728 1.426 16.271 1.00 0.00 C ATOM 224 C TYR A 14 2.373 2.561 16.987 1.00 0.00 C ATOM 225 O TYR A 14 2.839 3.514 16.365 1.00 0.00 O ATOM 226 CB TYR A 14 2.844 0.566 15.675 1.00 0.00 C ATOM 227 CG TYR A 14 3.453 -0.296 16.704 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.730 -1.353 17.208 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.781 -0.156 17.038 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.294 -2.185 18.153 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.352 -0.995 17.964 1.00 0.00 C ATOM 232 CZ TYR A 14 4.589 -1.963 18.576 1.00 0.00 C ATOM 233 OH TYR A 14 5.207 -2.819 19.503 1.00 0.00 O ATOM 0 H TYR A 14 1.342 2.291 14.414 1.00 0.00 H new ATOM 0 HA TYR A 14 1.123 0.799 16.926 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.443 -0.050 14.870 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.607 1.208 15.235 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.722 -1.531 16.864 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.376 0.615 16.571 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.724 -3.007 18.560 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.399 -0.895 18.211 1.00 0.00 H new ATOM 0 HH TYR A 14 4.749 -2.751 20.367 1.00 0.00 H new ATOM 243 N ASP A 15 2.441 2.455 18.327 1.00 0.00 N ATOM 244 CA ASP A 15 3.338 3.266 19.093 1.00 0.00 C ATOM 245 C ASP A 15 3.608 2.393 20.265 1.00 0.00 C ATOM 246 O ASP A 15 2.734 2.250 21.112 1.00 0.00 O ATOM 247 CB ASP A 15 2.776 4.615 19.589 1.00 0.00 C ATOM 248 CG ASP A 15 3.872 5.300 20.396 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.943 5.602 19.805 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.651 5.540 21.613 1.00 0.00 O ATOM 0 H ASP A 15 1.876 1.809 18.879 1.00 0.00 H new ATOM 0 HA ASP A 15 4.193 3.562 18.485 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.474 5.238 18.747 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.889 4.458 20.203 1.00 0.00 H new ATOM 255 N ALA A 16 4.808 1.770 20.294 1.00 0.00 N ATOM 256 CA ALA A 16 5.182 0.665 21.154 1.00 0.00 C ATOM 257 C ALA A 16 4.820 0.775 22.594 1.00 0.00 C ATOM 258 O ALA A 16 4.230 -0.153 23.144 1.00 0.00 O ATOM 259 CB ALA A 16 6.673 0.310 21.118 1.00 0.00 C ATOM 0 H ALA A 16 5.570 2.053 19.678 1.00 0.00 H new ATOM 0 HA ALA A 16 4.573 -0.117 20.701 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.864 -0.527 21.790 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.956 0.032 20.103 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.260 1.172 21.435 1.00 0.00 H new ATOM 265 N LYS A 17 5.170 1.897 23.240 1.00 0.00 N ATOM 266 CA LYS A 17 4.643 2.201 24.542 1.00 0.00 C ATOM 267 C LYS A 17 4.571 3.706 24.602 1.00 0.00 C ATOM 268 O LYS A 17 5.501 4.358 24.127 1.00 0.00 O ATOM 269 CB LYS A 17 5.526 1.807 25.754 1.00 0.00 C ATOM 270 CG LYS A 17 5.501 0.319 26.149 1.00 0.00 C ATOM 271 CD LYS A 17 6.621 -0.531 25.531 1.00 0.00 C ATOM 272 CE LYS A 17 6.428 -2.030 25.777 1.00 0.00 C ATOM 273 NZ LYS A 17 7.504 -2.802 25.117 1.00 0.00 N ATOM 0 H LYS A 17 5.814 2.595 22.869 1.00 0.00 H new ATOM 0 HA LYS A 17 3.711 1.643 24.631 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.556 2.087 25.535 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.211 2.397 26.615 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.565 0.245 27.235 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.540 -0.104 25.857 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.663 -0.345 24.458 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.580 -0.219 25.946 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.430 -2.233 26.848 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.457 -2.346 25.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.361 -3.817 25.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.483 -2.621 24.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.426 -2.511 25.501 1.00 0.00 H new ATOM 287 N PRO A 18 3.532 4.290 25.187 1.00 0.00 N ATOM 288 CA PRO A 18 3.382 5.720 25.248 1.00 0.00 C ATOM 289 C PRO A 18 4.283 6.373 26.248 1.00 0.00 C ATOM 290 O PRO A 18 4.983 5.698 27.002 1.00 0.00 O ATOM 291 CB PRO A 18 1.972 5.915 25.785 1.00 0.00 C ATOM 292 CG PRO A 18 1.185 4.733 25.258 1.00 0.00 C ATOM 293 CD PRO A 18 2.239 3.645 25.102 1.00 0.00 C ATOM 0 HA PRO A 18 3.602 6.148 24.270 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.965 5.940 26.875 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.546 6.858 25.442 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.399 4.434 25.951 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.702 4.963 24.308 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.133 2.891 25.882 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.126 3.133 24.146 1.00 0.00 H new ATOM 301 N GLN A 19 4.200 7.719 26.277 1.00 0.00 N ATOM 302 CA GLN A 19 4.809 8.535 27.285 1.00 0.00 C ATOM 303 C GLN A 19 3.945 8.439 28.501 1.00 0.00 C ATOM 304 O GLN A 19 4.334 7.865 29.518 1.00 0.00 O ATOM 305 CB GLN A 19 4.927 10.013 26.854 1.00 0.00 C ATOM 306 CG GLN A 19 5.765 10.216 25.583 1.00 0.00 C ATOM 307 CD GLN A 19 7.179 9.679 25.806 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.910 10.145 26.689 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.560 8.667 24.968 1.00 0.00 N ATOM 0 H GLN A 19 3.692 8.256 25.575 1.00 0.00 H new ATOM 0 HA GLN A 19 5.823 8.181 27.470 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.928 10.416 26.689 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.371 10.586 27.668 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.299 9.702 24.743 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.804 11.275 25.327 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.914 8.323 24.258 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.490 8.257 25.054 1.00 0.00 H new ATOM 318 N GLY A 20 2.729 8.994 28.383 1.00 0.00 N ATOM 319 CA GLY A 20 1.663 8.771 29.315 1.00 0.00 C ATOM 320 C GLY A 20 0.519 8.434 28.441 1.00 0.00 C ATOM 321 O GLY A 20 0.681 8.324 27.232 1.00 0.00 O ATOM 0 H GLY A 20 2.476 9.618 27.617 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.895 7.961 30.006 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.463 9.657 29.918 1.00 0.00 H new ATOM 325 N ARG A 21 -0.669 8.266 29.038 1.00 0.00 N ATOM 326 CA ARG A 21 -1.853 7.962 28.282 1.00 0.00 C ATOM 327 C ARG A 21 -2.819 9.053 28.589 1.00 0.00 C ATOM 328 O ARG A 21 -3.806 8.858 29.298 1.00 0.00 O ATOM 329 CB ARG A 21 -2.442 6.567 28.584 1.00 0.00 C ATOM 330 CG ARG A 21 -1.533 5.453 28.034 1.00 0.00 C ATOM 331 CD ARG A 21 -2.110 4.036 28.114 1.00 0.00 C ATOM 332 NE ARG A 21 -1.849 3.485 29.479 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.840 3.181 30.371 1.00 0.00 C ATOM 334 NH1 ARG A 21 -4.149 3.427 30.089 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.505 2.625 31.574 1.00 0.00 N ATOM 0 H ARG A 21 -0.817 8.339 30.044 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.617 7.915 27.219 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.563 6.445 29.660 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.434 6.484 28.141 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.304 5.676 26.992 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.590 5.474 28.580 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.181 4.053 27.912 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.653 3.399 27.356 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.881 3.328 29.760 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.408 3.847 29.196 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.870 3.191 30.770 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.527 2.442 31.796 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.234 2.393 32.249 1.00 0.00 H new ATOM 349 N ASP A 22 -2.510 10.253 28.052 1.00 0.00 N ATOM 350 CA ASP A 22 -3.222 11.452 28.382 1.00 0.00 C ATOM 351 C ASP A 22 -3.307 12.302 27.154 1.00 0.00 C ATOM 352 O ASP A 22 -2.835 11.914 26.085 1.00 0.00 O ATOM 353 CB ASP A 22 -2.571 12.247 29.539 1.00 0.00 C ATOM 354 CG ASP A 22 -1.179 12.766 29.174 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.256 11.939 28.948 1.00 0.00 O ATOM 356 OD2 ASP A 22 -1.018 14.015 29.150 1.00 0.00 O ATOM 0 H ASP A 22 -1.755 10.391 27.380 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.215 11.169 28.732 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.212 13.088 29.805 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.499 11.609 30.420 1.00 0.00 H new ATOM 361 N ASP A 23 -3.928 13.496 27.310 1.00 0.00 N ATOM 362 CA ASP A 23 -4.260 14.416 26.253 1.00 0.00 C ATOM 363 C ASP A 23 -3.052 14.977 25.575 1.00 0.00 C ATOM 364 O ASP A 23 -3.096 15.258 24.379 1.00 0.00 O ATOM 365 CB ASP A 23 -5.041 15.655 26.743 1.00 0.00 C ATOM 366 CG ASP A 23 -6.468 15.291 27.137 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.658 14.417 28.024 1.00 0.00 O ATOM 368 OD2 ASP A 23 -7.397 15.910 26.553 1.00 0.00 O ATOM 0 H ASP A 23 -4.214 13.837 28.228 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.862 13.808 25.578 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.527 16.097 27.597 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.060 16.410 25.957 1.00 0.00 H new ATOM 373 N ARG A 24 -1.954 15.156 26.335 1.00 0.00 N ATOM 374 CA ARG A 24 -0.744 15.738 25.836 1.00 0.00 C ATOM 375 C ARG A 24 0.114 14.684 25.196 1.00 0.00 C ATOM 376 O ARG A 24 1.024 15.021 24.440 1.00 0.00 O ATOM 377 CB ARG A 24 0.073 16.444 26.937 1.00 0.00 C ATOM 378 CG ARG A 24 0.498 17.884 26.593 1.00 0.00 C ATOM 379 CD ARG A 24 1.551 17.989 25.485 1.00 0.00 C ATOM 380 NE ARG A 24 1.989 19.415 25.383 1.00 0.00 N ATOM 381 CZ ARG A 24 1.489 20.276 24.446 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.547 19.872 23.546 1.00 0.00 N ATOM 383 NH2 ARG A 24 1.940 21.565 24.417 1.00 0.00 N ATOM 0 H ARG A 24 -1.906 14.890 27.319 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.040 16.488 25.102 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.516 16.462 27.854 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.966 15.854 27.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.385 18.448 26.292 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.888 18.359 27.493 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.402 17.346 25.709 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.137 17.651 24.535 1.00 0.00 H new ATOM 0 HE ARG A 24 2.690 19.760 26.039 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.203 18.912 23.564 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.187 20.530 22.855 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.642 21.875 25.089 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.575 22.217 23.723 1.00 0.00 H new ATOM 397 N TYR A 25 -0.158 13.385 25.465 1.00 0.00 N ATOM 398 CA TYR A 25 0.538 12.326 24.786 1.00 0.00 C ATOM 399 C TYR A 25 -0.047 12.240 23.420 1.00 0.00 C ATOM 400 O TYR A 25 0.696 12.070 22.459 1.00 0.00 O ATOM 401 CB TYR A 25 0.433 10.950 25.478 1.00 0.00 C ATOM 402 CG TYR A 25 0.571 9.802 24.515 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.780 9.456 23.925 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.551 9.041 24.226 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.847 8.404 23.032 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.481 7.993 23.335 1.00 0.00 C ATOM 407 CZ TYR A 25 0.716 7.674 22.736 1.00 0.00 C ATOM 408 OH TYR A 25 0.769 6.595 21.833 1.00 0.00 O ATOM 0 H TYR A 25 -0.851 13.072 26.144 1.00 0.00 H new ATOM 0 HA TYR A 25 1.601 12.565 24.783 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.206 10.873 26.242 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.527 10.877 25.988 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.673 10.013 24.166 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.491 9.273 24.705 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.788 8.153 22.565 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.368 7.420 23.106 1.00 0.00 H new ATOM 0 HH TYR A 25 1.690 6.267 21.769 1.00 0.00 H new ATOM 418 N CYS A 26 -1.389 12.354 23.317 1.00 0.00 N ATOM 419 CA CYS A 26 -2.089 12.256 22.069 1.00 0.00 C ATOM 420 C CYS A 26 -1.843 13.429 21.174 1.00 0.00 C ATOM 421 O CYS A 26 -1.833 13.275 19.953 1.00 0.00 O ATOM 422 CB CYS A 26 -3.602 12.163 22.236 1.00 0.00 C ATOM 423 SG CYS A 26 -4.148 10.505 22.690 1.00 0.00 S ATOM 0 H CYS A 26 -1.999 12.518 24.118 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.696 11.340 21.628 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.924 12.870 23.001 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.086 12.459 21.305 1.00 0.00 H new ATOM 428 N GLU A 27 -1.647 14.622 21.776 1.00 0.00 N ATOM 429 CA GLU A 27 -1.363 15.828 21.050 1.00 0.00 C ATOM 430 C GLU A 27 0.008 15.717 20.464 1.00 0.00 C ATOM 431 O GLU A 27 0.194 16.029 19.291 1.00 0.00 O ATOM 432 CB GLU A 27 -1.429 17.106 21.915 1.00 0.00 C ATOM 433 CG GLU A 27 -2.038 18.336 21.213 1.00 0.00 C ATOM 434 CD GLU A 27 -1.161 18.839 20.069 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.007 19.261 20.347 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.637 18.811 18.902 1.00 0.00 O ATOM 0 H GLU A 27 -1.687 14.751 22.787 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.132 15.927 20.284 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.013 16.891 22.810 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.421 17.356 22.244 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.025 18.081 20.827 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.177 19.136 21.940 1.00 0.00 H new ATOM 443 N SER A 28 0.997 15.269 21.271 1.00 0.00 N ATOM 444 CA SER A 28 2.362 15.217 20.854 1.00 0.00 C ATOM 445 C SER A 28 2.647 14.106 19.897 1.00 0.00 C ATOM 446 O SER A 28 3.585 14.226 19.114 1.00 0.00 O ATOM 447 CB SER A 28 3.323 15.065 22.036 1.00 0.00 C ATOM 448 OG SER A 28 3.293 16.237 22.836 1.00 0.00 O ATOM 0 H SER A 28 0.841 14.940 22.224 1.00 0.00 H new ATOM 0 HA SER A 28 2.524 16.171 20.353 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.043 14.198 22.635 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.335 14.888 21.673 1.00 0.00 H new ATOM 0 HG SER A 28 2.604 16.144 23.527 1.00 0.00 H new ATOM 454 N ILE A 29 1.860 13.008 19.928 1.00 0.00 N ATOM 455 CA ILE A 29 2.101 11.919 19.022 1.00 0.00 C ATOM 456 C ILE A 29 1.475 12.208 17.704 1.00 0.00 C ATOM 457 O ILE A 29 2.025 11.826 16.676 1.00 0.00 O ATOM 458 CB ILE A 29 1.797 10.513 19.514 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.374 9.484 18.528 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.299 10.257 19.755 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.518 8.104 19.130 1.00 0.00 C ATOM 0 H ILE A 29 1.074 12.875 20.565 1.00 0.00 H new ATOM 0 HA ILE A 29 3.186 11.881 18.928 1.00 0.00 H new ATOM 0 HB ILE A 29 2.276 10.406 20.487 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.728 9.427 17.652 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.349 9.827 18.183 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.156 9.234 20.105 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.073 10.953 20.507 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.249 10.402 18.824 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.930 7.423 18.385 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.187 8.150 19.989 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.541 7.743 19.450 1.00 0.00 H new ATOM 473 N MET A 30 0.329 12.917 17.682 1.00 0.00 N ATOM 474 CA MET A 30 -0.292 13.228 16.425 1.00 0.00 C ATOM 475 C MET A 30 0.311 14.469 15.839 1.00 0.00 C ATOM 476 O MET A 30 0.069 14.774 14.677 1.00 0.00 O ATOM 477 CB MET A 30 -1.825 13.314 16.499 1.00 0.00 C ATOM 478 CG MET A 30 -2.400 11.927 16.844 1.00 0.00 C ATOM 479 SD MET A 30 -4.203 11.753 16.910 1.00 0.00 S ATOM 480 CE MET A 30 -4.535 11.742 15.127 1.00 0.00 C ATOM 0 H MET A 30 -0.157 13.267 18.507 1.00 0.00 H new ATOM 0 HA MET A 30 -0.088 12.391 15.757 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.123 14.041 17.254 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.227 13.660 15.547 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.021 11.215 16.110 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.999 11.630 17.813 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.605 11.623 14.957 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.200 12.682 14.689 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.000 10.914 14.662 1.00 0.00 H new ATOM 490 N ARG A 31 1.140 15.201 16.613 1.00 0.00 N ATOM 491 CA ARG A 31 1.936 16.265 16.071 1.00 0.00 C ATOM 492 C ARG A 31 3.180 15.714 15.426 1.00 0.00 C ATOM 493 O ARG A 31 3.591 16.201 14.373 1.00 0.00 O ATOM 494 CB ARG A 31 2.338 17.311 17.126 1.00 0.00 C ATOM 495 CG ARG A 31 2.765 18.654 16.523 1.00 0.00 C ATOM 496 CD ARG A 31 2.897 19.748 17.589 1.00 0.00 C ATOM 497 NE ARG A 31 3.040 21.068 16.901 1.00 0.00 N ATOM 498 CZ ARG A 31 1.954 21.822 16.550 1.00 0.00 C ATOM 499 NH1 ARG A 31 0.686 21.381 16.792 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.142 23.032 15.942 1.00 0.00 N ATOM 0 H ARG A 31 1.259 15.055 17.616 1.00 0.00 H new ATOM 0 HA ARG A 31 1.313 16.765 15.329 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.498 17.475 17.801 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.157 16.914 17.726 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.718 18.533 16.008 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.035 18.963 15.775 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.021 19.752 18.238 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.762 19.556 18.223 1.00 0.00 H new ATOM 0 HE ARG A 31 3.975 21.416 16.687 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.537 20.477 17.241 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.113 21.955 16.524 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.087 23.367 15.753 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.337 23.600 15.677 1.00 0.00 H new ATOM 514 N ARG A 32 3.818 14.701 16.061 1.00 0.00 N ATOM 515 CA ARG A 32 5.100 14.198 15.624 1.00 0.00 C ATOM 516 C ARG A 32 4.967 13.210 14.504 1.00 0.00 C ATOM 517 O ARG A 32 5.799 13.218 13.597 1.00 0.00 O ATOM 518 CB ARG A 32 5.931 13.535 16.737 1.00 0.00 C ATOM 519 CG ARG A 32 6.944 14.479 17.414 1.00 0.00 C ATOM 520 CD ARG A 32 6.354 15.769 18.002 1.00 0.00 C ATOM 521 NE ARG A 32 7.446 16.524 18.689 1.00 0.00 N ATOM 522 CZ ARG A 32 7.705 16.376 20.023 1.00 0.00 C ATOM 523 NH1 ARG A 32 6.999 15.491 20.784 1.00 0.00 N ATOM 524 NH2 ARG A 32 8.693 17.122 20.604 1.00 0.00 N ATOM 0 H ARG A 32 3.444 14.227 16.883 1.00 0.00 H new ATOM 0 HA ARG A 32 5.626 15.092 15.288 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.254 13.142 17.496 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.468 12.684 16.317 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.446 13.933 18.213 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.707 14.749 16.684 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.913 16.377 17.212 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.556 15.533 18.706 1.00 0.00 H new ATOM 0 HE ARG A 32 8.017 17.171 18.145 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.264 14.926 20.359 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.206 15.394 21.778 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.230 17.783 20.043 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.893 17.018 21.599 1.00 0.00 H new ATOM 538 N ARG A 33 3.921 12.345 14.526 1.00 0.00 N ATOM 539 CA ARG A 33 3.602 11.491 13.405 1.00 0.00 C ATOM 540 C ARG A 33 3.061 12.314 12.269 1.00 0.00 C ATOM 541 O ARG A 33 3.269 11.970 11.107 1.00 0.00 O ATOM 542 CB ARG A 33 2.573 10.380 13.711 1.00 0.00 C ATOM 543 CG ARG A 33 3.181 9.014 14.060 1.00 0.00 C ATOM 544 CD ARG A 33 4.154 9.050 15.241 1.00 0.00 C ATOM 545 NE ARG A 33 4.266 7.678 15.824 1.00 0.00 N ATOM 546 CZ ARG A 33 5.095 6.726 15.301 1.00 0.00 C ATOM 547 NH1 ARG A 33 5.830 6.974 14.178 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.189 5.508 15.912 1.00 0.00 N ATOM 0 H ARG A 33 3.294 12.237 15.323 1.00 0.00 H new ATOM 0 HA ARG A 33 4.542 11.001 13.150 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.945 10.705 14.541 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.921 10.261 12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.375 8.316 14.287 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.702 8.625 13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.132 9.400 14.912 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.802 9.752 15.997 1.00 0.00 H new ATOM 0 HE ARG A 33 3.703 7.444 16.642 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.765 7.881 13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.444 6.252 13.801 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.643 5.315 16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.805 4.791 15.529 1.00 0.00 H new ATOM 562 N GLY A 34 2.379 13.433 12.591 1.00 0.00 N ATOM 563 CA GLY A 34 2.010 14.422 11.617 1.00 0.00 C ATOM 564 C GLY A 34 0.681 14.061 11.058 1.00 0.00 C ATOM 565 O GLY A 34 0.484 14.054 9.844 1.00 0.00 O ATOM 0 H GLY A 34 2.079 13.655 13.540 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.972 15.410 12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.755 14.468 10.823 1.00 0.00 H new ATOM 569 N LEU A 35 -0.263 13.751 11.969 1.00 0.00 N ATOM 570 CA LEU A 35 -1.592 13.346 11.624 1.00 0.00 C ATOM 571 C LEU A 35 -2.517 14.448 12.021 1.00 0.00 C ATOM 572 O LEU A 35 -3.735 14.285 11.985 1.00 0.00 O ATOM 573 CB LEU A 35 -2.074 12.114 12.406 1.00 0.00 C ATOM 574 CG LEU A 35 -1.098 10.916 12.447 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.726 9.722 13.188 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.610 10.484 11.055 1.00 0.00 C ATOM 0 H LEU A 35 -0.096 13.783 12.975 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.587 13.116 10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.288 12.419 13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.015 11.777 11.971 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.220 11.259 12.995 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.020 8.891 13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.966 10.014 14.210 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.637 9.414 12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.072 9.639 11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.464 10.191 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.091 11.315 10.577 1.00 0.00 H new ATOM 588 N THR A 36 -1.936 15.601 12.422 1.00 0.00 N ATOM 589 CA THR A 36 -2.669 16.746 12.882 1.00 0.00 C ATOM 590 C THR A 36 -2.806 17.702 11.733 1.00 0.00 C ATOM 591 O THR A 36 -3.377 18.778 11.879 1.00 0.00 O ATOM 592 CB THR A 36 -2.025 17.406 14.092 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.871 18.397 14.655 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.650 18.020 13.756 1.00 0.00 C ATOM 0 H THR A 36 -0.925 15.739 12.426 1.00 0.00 H new ATOM 0 HA THR A 36 -3.654 16.427 13.222 1.00 0.00 H new ATOM 0 HB THR A 36 -1.872 16.616 14.827 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.361 18.854 13.940 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.229 18.480 14.650 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.020 17.238 13.400 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.769 18.777 12.981 1.00 0.00 H new ATOM 602 N SER A 37 -2.294 17.325 10.544 1.00 0.00 N ATOM 603 CA SER A 37 -2.399 18.173 9.386 1.00 0.00 C ATOM 604 C SER A 37 -2.884 17.337 8.235 1.00 0.00 C ATOM 605 O SER A 37 -2.083 16.581 7.687 1.00 0.00 O ATOM 606 CB SER A 37 -1.053 18.801 8.992 1.00 0.00 C ATOM 607 OG SER A 37 -1.219 19.621 7.845 1.00 0.00 O ATOM 0 H SER A 37 -1.811 16.441 10.382 1.00 0.00 H new ATOM 0 HA SER A 37 -3.088 18.983 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.662 19.393 9.819 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.323 18.018 8.787 1.00 0.00 H new ATOM 0 HG SER A 37 -0.358 20.019 7.600 1.00 0.00 H new ATOM 613 N PRO A 38 -4.134 17.414 7.789 1.00 0.00 N ATOM 614 CA PRO A 38 -5.294 17.897 8.500 1.00 0.00 C ATOM 615 C PRO A 38 -5.626 16.862 9.537 1.00 0.00 C ATOM 616 O PRO A 38 -5.238 15.703 9.384 1.00 0.00 O ATOM 617 CB PRO A 38 -6.388 17.963 7.434 1.00 0.00 C ATOM 618 CG PRO A 38 -5.999 16.889 6.413 1.00 0.00 C ATOM 619 CD PRO A 38 -4.469 16.868 6.488 1.00 0.00 C ATOM 0 HA PRO A 38 -5.163 18.861 8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.371 17.765 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.433 18.950 6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.427 15.919 6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.349 17.140 5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.085 15.854 6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.029 17.464 5.688 1.00 0.00 H new ATOM 627 N CYS A 39 -6.333 17.287 10.609 1.00 0.00 N ATOM 628 CA CYS A 39 -6.562 16.477 11.765 1.00 0.00 C ATOM 629 C CYS A 39 -7.452 15.322 11.466 1.00 0.00 C ATOM 630 O CYS A 39 -8.632 15.484 11.154 1.00 0.00 O ATOM 631 CB CYS A 39 -7.170 17.263 12.933 1.00 0.00 C ATOM 632 SG CYS A 39 -6.105 18.660 13.364 1.00 0.00 S ATOM 0 H CYS A 39 -6.753 18.215 10.669 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.575 16.119 12.058 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.163 17.623 12.662 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.293 16.609 13.797 1.00 0.00 H new ATOM 637 N LYS A 40 -6.847 14.122 11.581 1.00 0.00 N ATOM 638 CA LYS A 40 -7.524 12.870 11.475 1.00 0.00 C ATOM 639 C LYS A 40 -8.240 12.744 12.774 1.00 0.00 C ATOM 640 O LYS A 40 -7.657 12.979 13.830 1.00 0.00 O ATOM 641 CB LYS A 40 -6.531 11.700 11.292 1.00 0.00 C ATOM 642 CG LYS A 40 -7.160 10.302 11.188 1.00 0.00 C ATOM 643 CD LYS A 40 -8.096 10.106 9.987 1.00 0.00 C ATOM 644 CE LYS A 40 -8.708 8.703 9.952 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.599 8.561 8.782 1.00 0.00 N ATOM 0 H LYS A 40 -5.847 14.025 11.755 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.187 12.833 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.945 11.883 10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.835 11.704 12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.361 9.563 11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.718 10.101 12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.894 10.847 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.542 10.282 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.917 7.955 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.269 8.520 10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.007 7.605 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.364 9.263 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.054 8.715 7.910 1.00 0.00 H new ATOM 659 N ASP A 41 -9.539 12.391 12.708 1.00 0.00 N ATOM 660 CA ASP A 41 -10.419 12.514 13.832 1.00 0.00 C ATOM 661 C ASP A 41 -10.317 11.350 14.767 1.00 0.00 C ATOM 662 O ASP A 41 -10.798 11.440 15.892 1.00 0.00 O ATOM 663 CB ASP A 41 -11.890 12.632 13.412 1.00 0.00 C ATOM 664 CG ASP A 41 -12.015 13.824 12.475 1.00 0.00 C ATOM 665 OD1 ASP A 41 -11.731 14.966 12.925 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.396 13.608 11.294 1.00 0.00 O ATOM 0 H ASP A 41 -9.982 12.017 11.869 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.098 13.426 14.335 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.219 11.720 12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.527 12.766 14.286 1.00 0.00 H new ATOM 671 N ILE A 42 -9.706 10.228 14.334 1.00 0.00 N ATOM 672 CA ILE A 42 -9.494 9.142 15.244 1.00 0.00 C ATOM 673 C ILE A 42 -8.250 8.436 14.800 1.00 0.00 C ATOM 674 O ILE A 42 -8.074 8.139 13.620 1.00 0.00 O ATOM 675 CB ILE A 42 -10.696 8.203 15.360 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.551 7.193 16.524 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.082 7.555 14.011 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.067 5.793 16.130 1.00 0.00 C ATOM 0 H ILE A 42 -9.368 10.075 13.384 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.372 9.529 16.256 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.551 8.825 15.627 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.856 7.606 17.255 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.516 7.098 17.021 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.941 6.899 14.155 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.337 8.334 13.293 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.241 6.974 13.633 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.001 5.167 17.020 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.771 5.349 15.426 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.084 5.866 15.664 1.00 0.00 H new ATOM 690 N ASN A 43 -7.352 8.133 15.761 1.00 0.00 N ATOM 691 CA ASN A 43 -6.227 7.298 15.458 1.00 0.00 C ATOM 692 C ASN A 43 -5.887 6.548 16.702 1.00 0.00 C ATOM 693 O ASN A 43 -5.565 7.143 17.729 1.00 0.00 O ATOM 694 CB ASN A 43 -4.986 8.070 14.975 1.00 0.00 C ATOM 695 CG ASN A 43 -4.081 7.100 14.218 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.321 6.808 13.041 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.019 6.602 14.918 1.00 0.00 N ATOM 0 H ASN A 43 -7.402 8.458 16.726 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.508 6.643 14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.281 8.897 14.329 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.454 8.502 15.823 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.373 5.952 14.470 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.872 6.880 15.888 1.00 0.00 H new ATOM 704 N THR A 44 -5.952 5.202 16.616 1.00 0.00 N ATOM 705 CA THR A 44 -5.699 4.342 17.735 1.00 0.00 C ATOM 706 C THR A 44 -4.270 3.915 17.690 1.00 0.00 C ATOM 707 O THR A 44 -3.895 3.098 16.856 1.00 0.00 O ATOM 708 CB THR A 44 -6.566 3.112 17.696 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.911 3.513 17.509 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.455 2.330 19.014 1.00 0.00 C ATOM 0 H THR A 44 -6.184 4.705 15.756 1.00 0.00 H new ATOM 0 HA THR A 44 -5.923 4.892 18.649 1.00 0.00 H new ATOM 0 HB THR A 44 -6.238 2.469 16.879 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.464 2.726 17.321 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.089 1.445 18.966 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.420 2.027 19.171 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.777 2.963 19.841 1.00 0.00 H new ATOM 718 N PHE A 45 -3.443 4.439 18.617 1.00 0.00 N ATOM 719 CA PHE A 45 -2.080 4.000 18.726 1.00 0.00 C ATOM 720 C PHE A 45 -2.104 2.820 19.647 1.00 0.00 C ATOM 721 O PHE A 45 -2.641 2.895 20.748 1.00 0.00 O ATOM 722 CB PHE A 45 -1.110 5.051 19.290 1.00 0.00 C ATOM 723 CG PHE A 45 -1.068 6.247 18.388 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.987 7.264 18.576 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.117 6.392 17.387 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.980 8.384 17.772 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.090 7.527 16.606 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.021 8.520 16.791 1.00 0.00 C ATOM 0 H PHE A 45 -3.713 5.160 19.286 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.711 3.778 17.725 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.426 5.350 20.289 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.112 4.623 19.386 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.721 7.179 19.364 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.608 5.609 17.219 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.725 9.154 17.911 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.668 7.636 15.844 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.002 9.404 16.170 1.00 0.00 H new ATOM 738 N ILE A 46 -1.539 1.690 19.179 1.00 0.00 N ATOM 739 CA ILE A 46 -1.581 0.425 19.854 1.00 0.00 C ATOM 740 C ILE A 46 -0.203 0.207 20.362 1.00 0.00 C ATOM 741 O ILE A 46 0.784 0.570 19.734 1.00 0.00 O ATOM 742 CB ILE A 46 -1.898 -0.731 18.934 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.236 -0.472 18.204 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.863 -2.076 19.692 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.660 -1.620 17.291 1.00 0.00 C ATOM 0 H ILE A 46 -1.032 1.655 18.295 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.357 0.456 20.619 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.126 -0.806 18.168 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.017 -0.298 18.944 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.148 0.439 17.613 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.095 -2.888 19.003 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.870 -2.230 20.113 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.599 -2.060 20.495 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.606 -1.372 16.810 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.897 -1.780 16.529 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.780 -2.529 17.881 1.00 0.00 H new ATOM 757 N HIS A 47 -0.148 -0.417 21.541 1.00 0.00 N ATOM 758 CA HIS A 47 1.026 -0.536 22.355 1.00 0.00 C ATOM 759 C HIS A 47 1.159 -1.965 22.770 1.00 0.00 C ATOM 760 O HIS A 47 0.232 -2.545 23.340 1.00 0.00 O ATOM 761 CB HIS A 47 0.965 0.283 23.647 1.00 0.00 C ATOM 762 CG HIS A 47 0.146 1.525 23.521 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.350 2.510 22.585 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.904 1.940 24.268 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.573 3.465 22.808 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.359 3.164 23.821 1.00 0.00 N ATOM 0 H HIS A 47 -0.964 -0.866 21.957 1.00 0.00 H new ATOM 0 HA HIS A 47 1.859 -0.170 21.755 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.552 -0.337 24.443 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.978 0.553 23.946 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.066 2.517 21.858 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.326 1.391 25.097 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.659 4.370 22.225 1.00 0.00 H new ATOM 774 N GLY A 48 2.344 -2.559 22.522 1.00 0.00 N ATOM 775 CA GLY A 48 2.565 -3.907 22.950 1.00 0.00 C ATOM 776 C GLY A 48 3.817 -4.375 22.297 1.00 0.00 C ATOM 777 O GLY A 48 4.838 -3.691 22.344 1.00 0.00 O ATOM 0 H GLY A 48 3.128 -2.120 22.039 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.655 -3.956 24.035 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.724 -4.542 22.671 1.00 0.00 H new ATOM 781 N ASN A 49 3.746 -5.572 21.676 1.00 0.00 N ATOM 782 CA ASN A 49 4.843 -6.134 20.938 1.00 0.00 C ATOM 783 C ASN A 49 4.405 -6.145 19.510 1.00 0.00 C ATOM 784 O ASN A 49 3.229 -6.353 19.223 1.00 0.00 O ATOM 785 CB ASN A 49 5.157 -7.584 21.349 1.00 0.00 C ATOM 786 CG ASN A 49 6.650 -7.722 21.645 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.042 -7.989 22.789 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.493 -7.548 20.583 1.00 0.00 N ATOM 0 H ASN A 49 2.912 -6.160 21.686 1.00 0.00 H new ATOM 0 HA ASN A 49 5.742 -5.546 21.123 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.575 -7.857 22.229 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.869 -8.269 20.551 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.501 -7.637 20.712 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.114 -7.329 19.662 1.00 0.00 H new ATOM 795 N LYS A 50 5.357 -5.937 18.571 1.00 0.00 N ATOM 796 CA LYS A 50 5.032 -5.913 17.170 1.00 0.00 C ATOM 797 C LYS A 50 5.017 -7.306 16.607 1.00 0.00 C ATOM 798 O LYS A 50 4.489 -7.508 15.513 1.00 0.00 O ATOM 799 CB LYS A 50 6.042 -5.165 16.275 1.00 0.00 C ATOM 800 CG LYS A 50 5.864 -3.652 16.139 1.00 0.00 C ATOM 801 CD LYS A 50 6.283 -3.155 14.750 1.00 0.00 C ATOM 802 CE LYS A 50 6.406 -1.643 14.555 1.00 0.00 C ATOM 803 NZ LYS A 50 6.693 -1.348 13.133 1.00 0.00 N ATOM 0 H LYS A 50 6.344 -5.787 18.780 1.00 0.00 H new ATOM 0 HA LYS A 50 4.068 -5.405 17.149 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.043 -5.355 16.663 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.999 -5.602 15.277 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.821 -3.390 16.320 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.457 -3.146 16.901 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.245 -3.606 14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.561 -3.531 14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.483 -1.150 14.860 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.202 -1.248 15.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.120 -0.403 13.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.353 -2.059 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.808 -1.375 12.587 1.00 0.00 H new ATOM 817 N ARG A 51 5.577 -8.305 17.338 1.00 0.00 N ATOM 818 CA ARG A 51 5.458 -9.678 16.918 1.00 0.00 C ATOM 819 C ARG A 51 4.091 -10.169 17.267 1.00 0.00 C ATOM 820 O ARG A 51 3.596 -11.107 16.645 1.00 0.00 O ATOM 821 CB ARG A 51 6.562 -10.656 17.414 1.00 0.00 C ATOM 822 CG ARG A 51 6.825 -10.815 18.931 1.00 0.00 C ATOM 823 CD ARG A 51 5.817 -11.618 19.775 1.00 0.00 C ATOM 824 NE ARG A 51 5.468 -12.886 19.064 1.00 0.00 N ATOM 825 CZ ARG A 51 4.370 -13.614 19.427 1.00 0.00 C ATOM 826 NH1 ARG A 51 3.622 -13.247 20.507 1.00 0.00 N ATOM 827 NH2 ARG A 51 4.017 -14.716 18.702 1.00 0.00 N ATOM 0 H ARG A 51 6.101 -8.164 18.202 1.00 0.00 H new ATOM 0 HA ARG A 51 5.615 -9.673 15.839 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.322 -11.644 17.021 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.500 -10.348 16.952 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.803 -11.282 19.050 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.895 -9.816 19.361 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.243 -11.843 20.753 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.918 -11.026 19.947 1.00 0.00 H new ATOM 0 HE ARG A 51 6.057 -13.212 18.298 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.881 -12.424 21.050 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.804 -13.796 20.771 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.572 -14.993 17.893 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.198 -15.262 18.970 1.00 0.00 H new ATOM 841 N SER A 52 3.464 -9.536 18.283 1.00 0.00 N ATOM 842 CA SER A 52 2.132 -9.818 18.676 1.00 0.00 C ATOM 843 C SER A 52 1.193 -9.247 17.667 1.00 0.00 C ATOM 844 O SER A 52 0.237 -9.934 17.329 1.00 0.00 O ATOM 845 CB SER A 52 1.801 -9.310 20.083 1.00 0.00 C ATOM 846 OG SER A 52 2.566 -10.017 21.047 1.00 0.00 O ATOM 0 H SER A 52 3.908 -8.807 18.841 1.00 0.00 H new ATOM 0 HA SER A 52 2.020 -10.901 18.718 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.011 -8.243 20.152 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.738 -9.439 20.284 1.00 0.00 H new ATOM 0 HG SER A 52 2.350 -9.685 21.943 1.00 0.00 H new ATOM 852 N ILE A 53 1.446 -8.004 17.172 1.00 0.00 N ATOM 853 CA ILE A 53 0.665 -7.355 16.128 1.00 0.00 C ATOM 854 C ILE A 53 0.559 -8.206 14.895 1.00 0.00 C ATOM 855 O ILE A 53 -0.548 -8.468 14.421 1.00 0.00 O ATOM 856 CB ILE A 53 1.229 -5.994 15.723 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.142 -4.984 16.883 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.526 -5.417 14.477 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.287 -4.598 17.253 1.00 0.00 C ATOM 0 H ILE A 53 2.219 -7.429 17.507 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.323 -7.211 16.565 1.00 0.00 H new ATOM 0 HB ILE A 53 2.277 -6.159 15.473 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.633 -5.407 17.759 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.694 -4.084 16.612 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.962 -4.449 14.229 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.656 -6.100 13.637 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.537 -5.294 14.683 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.269 -3.884 18.077 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.776 -4.145 16.391 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.838 -5.489 17.556 1.00 0.00 H new ATOM 871 N LYS A 54 1.720 -8.635 14.367 1.00 0.00 N ATOM 872 CA LYS A 54 1.844 -9.468 13.189 1.00 0.00 C ATOM 873 C LYS A 54 1.106 -10.772 13.354 1.00 0.00 C ATOM 874 O LYS A 54 0.334 -11.176 12.480 1.00 0.00 O ATOM 875 CB LYS A 54 3.315 -9.770 12.850 1.00 0.00 C ATOM 876 CG LYS A 54 3.529 -10.258 11.412 1.00 0.00 C ATOM 877 CD LYS A 54 5.015 -10.362 11.050 1.00 0.00 C ATOM 878 CE LYS A 54 5.247 -10.792 9.599 1.00 0.00 C ATOM 879 NZ LYS A 54 6.696 -10.865 9.308 1.00 0.00 N ATOM 0 H LYS A 54 2.623 -8.394 14.775 1.00 0.00 H new ATOM 0 HA LYS A 54 1.401 -8.902 12.370 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.908 -8.870 13.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.690 -10.526 13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.057 -11.233 11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.036 -9.574 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.493 -9.397 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.497 -11.077 11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.785 -11.763 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.769 -10.084 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.837 -11.158 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.128 -9.931 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.143 -11.558 9.942 1.00 0.00 H new ATOM 893 N ALA A 55 1.299 -11.440 14.521 1.00 0.00 N ATOM 894 CA ALA A 55 0.700 -12.714 14.823 1.00 0.00 C ATOM 895 C ALA A 55 -0.743 -12.626 15.243 1.00 0.00 C ATOM 896 O ALA A 55 -1.286 -13.622 15.712 1.00 0.00 O ATOM 897 CB ALA A 55 1.430 -13.475 15.947 1.00 0.00 C ATOM 0 H ALA A 55 1.888 -11.081 15.273 1.00 0.00 H new ATOM 0 HA ALA A 55 0.782 -13.247 13.876 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.930 -14.427 16.127 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.463 -13.658 15.651 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.414 -12.879 16.859 1.00 0.00 H new ATOM 903 N ILE A 56 -1.431 -11.472 15.059 1.00 0.00 N ATOM 904 CA ILE A 56 -2.857 -11.442 15.225 1.00 0.00 C ATOM 905 C ILE A 56 -3.449 -12.092 14.014 1.00 0.00 C ATOM 906 O ILE A 56 -4.495 -12.733 14.106 1.00 0.00 O ATOM 907 CB ILE A 56 -3.457 -10.059 15.448 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.881 -9.396 16.718 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.992 -10.140 15.569 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.790 -10.333 17.924 1.00 0.00 C ATOM 0 H ILE A 56 -1.008 -10.580 14.801 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.098 -11.976 16.144 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.195 -9.450 14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.886 -9.011 16.495 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.502 -8.540 16.982 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.398 -9.141 15.728 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.408 -10.559 14.653 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.257 -10.778 16.412 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.376 -9.792 18.775 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.785 -10.699 18.176 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.144 -11.177 17.681 1.00 0.00 H new ATOM 922 N CYS A 57 -2.764 -11.976 12.851 1.00 0.00 N ATOM 923 CA CYS A 57 -3.265 -12.541 11.631 1.00 0.00 C ATOM 924 C CYS A 57 -2.992 -14.008 11.541 1.00 0.00 C ATOM 925 O CYS A 57 -3.669 -14.719 10.799 1.00 0.00 O ATOM 926 CB CYS A 57 -2.663 -11.879 10.400 1.00 0.00 C ATOM 927 SG CYS A 57 -2.939 -10.100 10.499 1.00 0.00 S ATOM 0 H CYS A 57 -1.870 -11.494 12.759 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.340 -12.364 11.653 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.596 -12.092 10.342 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.118 -12.281 9.495 1.00 0.00 H new ATOM 932 N GLU A 58 -1.995 -14.490 12.312 1.00 0.00 N ATOM 933 CA GLU A 58 -1.736 -15.892 12.443 1.00 0.00 C ATOM 934 C GLU A 58 -2.670 -16.429 13.480 1.00 0.00 C ATOM 935 O GLU A 58 -3.246 -15.679 14.269 1.00 0.00 O ATOM 936 CB GLU A 58 -0.294 -16.197 12.895 1.00 0.00 C ATOM 937 CG GLU A 58 0.780 -15.612 11.966 1.00 0.00 C ATOM 938 CD GLU A 58 0.587 -16.169 10.561 1.00 0.00 C ATOM 939 OE1 GLU A 58 0.683 -17.414 10.398 1.00 0.00 O ATOM 940 OE2 GLU A 58 0.341 -15.353 9.633 1.00 0.00 O ATOM 0 H GLU A 58 -1.362 -13.898 12.850 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.878 -16.353 11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.146 -15.802 13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.162 -17.277 12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.711 -14.524 11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.774 -15.864 12.336 1.00 0.00 H new ATOM 947 N ASN A 59 -2.823 -17.770 13.503 1.00 0.00 N ATOM 948 CA ASN A 59 -3.754 -18.428 14.379 1.00 0.00 C ATOM 949 C ASN A 59 -3.144 -18.643 15.731 1.00 0.00 C ATOM 950 O ASN A 59 -3.862 -18.878 16.701 1.00 0.00 O ATOM 951 CB ASN A 59 -4.220 -19.791 13.845 1.00 0.00 C ATOM 952 CG ASN A 59 -4.812 -19.583 12.452 1.00 0.00 C ATOM 953 OD1 ASN A 59 -4.289 -20.100 11.458 1.00 0.00 O ATOM 954 ND2 ASN A 59 -5.935 -18.804 12.392 1.00 0.00 N ATOM 0 H ASN A 59 -2.294 -18.407 12.907 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.619 -17.768 14.442 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.383 -20.488 13.802 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.964 -20.226 14.513 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.384 -18.625 11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.323 -18.403 13.245 1.00 0.00 H new ATOM 961 N LYS A 60 -1.802 -18.550 15.822 1.00 0.00 N ATOM 962 CA LYS A 60 -1.146 -18.428 17.089 1.00 0.00 C ATOM 963 C LYS A 60 -1.115 -16.959 17.350 1.00 0.00 C ATOM 964 O LYS A 60 -0.677 -16.201 16.490 1.00 0.00 O ATOM 965 CB LYS A 60 0.298 -18.976 17.066 1.00 0.00 C ATOM 966 CG LYS A 60 1.042 -18.951 18.417 1.00 0.00 C ATOM 967 CD LYS A 60 0.352 -19.712 19.565 1.00 0.00 C ATOM 968 CE LYS A 60 0.140 -21.206 19.291 1.00 0.00 C ATOM 969 NZ LYS A 60 -0.470 -21.857 20.471 1.00 0.00 N ATOM 0 H LYS A 60 -1.173 -18.559 15.019 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.670 -19.002 17.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.272 -20.004 16.705 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.875 -18.399 16.343 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.037 -19.371 18.272 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.175 -17.913 18.720 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.949 -19.601 20.470 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.615 -19.250 19.763 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.503 -21.336 18.421 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.093 -21.680 19.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.610 -22.869 20.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.159 -21.746 21.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.388 -21.414 20.676 1.00 0.00 H new ATOM 983 N ASN A 61 -1.590 -16.555 18.554 1.00 0.00 N ATOM 984 CA ASN A 61 -1.614 -15.227 19.121 1.00 0.00 C ATOM 985 C ASN A 61 -2.816 -14.410 18.692 1.00 0.00 C ATOM 986 O ASN A 61 -3.068 -13.342 19.248 1.00 0.00 O ATOM 987 CB ASN A 61 -0.290 -14.457 18.946 1.00 0.00 C ATOM 988 CG ASN A 61 -0.136 -13.380 20.015 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.125 -13.670 21.189 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.293 -12.102 19.561 1.00 0.00 N ATOM 0 H ASN A 61 -2.000 -17.233 19.197 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.726 -15.389 20.193 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.548 -15.151 19.002 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.260 -13.999 17.957 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.195 -11.317 20.204 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.508 -11.933 18.578 1.00 0.00 H new ATOM 997 N GLY A 62 -3.625 -14.896 17.728 1.00 0.00 N ATOM 998 CA GLY A 62 -4.857 -14.234 17.397 1.00 0.00 C ATOM 999 C GLY A 62 -5.770 -15.293 16.887 1.00 0.00 C ATOM 1000 O GLY A 62 -5.441 -16.474 16.943 1.00 0.00 O ATOM 0 H GLY A 62 -3.431 -15.736 17.183 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.282 -13.741 18.271 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.695 -13.463 16.644 1.00 0.00 H new ATOM 1004 N ASN A 63 -6.961 -14.896 16.393 1.00 0.00 N ATOM 1005 CA ASN A 63 -7.937 -15.849 15.950 1.00 0.00 C ATOM 1006 C ASN A 63 -8.808 -15.088 14.995 1.00 0.00 C ATOM 1007 O ASN A 63 -8.820 -13.866 15.100 1.00 0.00 O ATOM 1008 CB ASN A 63 -8.786 -16.458 17.103 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.560 -15.404 17.907 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -10.756 -15.192 17.678 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -8.863 -14.780 18.905 1.00 0.00 N ATOM 0 H ASN A 63 -7.247 -13.921 16.301 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.446 -16.709 15.495 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.491 -17.177 16.686 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.130 -17.009 17.776 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.330 -14.101 19.506 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.876 -14.994 19.049 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.532 -15.688 14.062 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.318 -14.950 13.105 1.00 0.00 C ATOM 1020 C PRO A 64 -11.589 -14.521 13.773 1.00 0.00 C ATOM 1021 O PRO A 64 -12.010 -15.162 14.736 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.598 -15.942 11.972 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.395 -17.324 12.597 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.331 -17.068 13.662 1.00 0.00 C ATOM 0 HA PRO A 64 -9.821 -14.057 12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.612 -15.827 11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.920 -15.785 11.133 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.317 -17.709 13.032 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.061 -18.055 11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.447 -17.746 14.508 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.328 -17.223 13.264 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.233 -13.456 13.232 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.572 -13.135 13.636 1.00 0.00 C ATOM 1034 C HIS A 65 -14.299 -13.020 12.335 1.00 0.00 C ATOM 1035 O HIS A 65 -15.107 -12.125 12.109 1.00 0.00 O ATOM 1036 CB HIS A 65 -13.721 -11.921 14.598 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.797 -10.564 14.006 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.850 -9.760 13.728 1.00 0.00 N flip ATOM 1039 CD2 HIS A 65 -12.675 -9.855 13.740 1.00 0.00 C flip ATOM 1040 CE1 HIS A 65 -14.355 -8.581 13.277 1.00 0.00 C flip ATOM 1041 NE2 HIS A 65 -13.044 -8.666 13.298 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.833 -12.833 12.531 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.997 -13.902 14.283 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.621 -12.076 15.193 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.877 -11.937 15.287 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -15.836 -9.998 13.838 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.659 -10.200 13.867 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.934 -7.727 12.958 1.00 0.00 H new ATOM 1050 N ARG A 66 -13.962 -13.997 11.464 1.00 0.00 N ATOM 1051 CA ARG A 66 -14.351 -14.270 10.100 1.00 0.00 C ATOM 1052 C ARG A 66 -14.198 -13.203 9.069 1.00 0.00 C ATOM 1053 O ARG A 66 -14.276 -12.000 9.312 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.639 -15.105 9.863 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.954 -14.406 9.447 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.553 -13.391 10.424 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.798 -12.837 9.807 1.00 0.00 N ATOM 1058 CZ ARG A 66 -18.778 -11.734 8.997 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.614 -11.080 8.720 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.948 -11.281 8.454 1.00 0.00 N ATOM 0 H ARG A 66 -13.306 -14.714 11.774 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.513 -14.942 9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.409 -15.843 9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.842 -15.654 10.782 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.780 -13.898 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.702 -15.177 9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.780 -13.868 11.378 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.840 -12.592 10.628 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.689 -13.295 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.736 -11.411 9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.622 -10.260 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.824 -11.764 8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.945 -10.460 7.849 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.016 -13.739 7.849 1.00 0.00 N ATOM 1075 CA GLU A 67 -13.991 -13.082 6.571 1.00 0.00 C ATOM 1076 C GLU A 67 -12.865 -12.097 6.470 1.00 0.00 C ATOM 1077 O GLU A 67 -13.087 -10.959 6.073 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.341 -12.421 6.217 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.603 -12.305 4.710 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.982 -11.687 4.518 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.973 -12.270 5.034 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -17.060 -10.624 3.848 1.00 0.00 O ATOM 0 H GLU A 67 -13.870 -14.743 7.746 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.816 -13.864 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.146 -12.997 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.373 -11.425 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.839 -11.687 4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.556 -13.287 4.238 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.634 -12.549 6.821 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.357 -11.857 6.774 1.00 0.00 C ATOM 1091 C ASN A 68 -10.045 -10.983 7.960 1.00 0.00 C ATOM 1092 O ASN A 68 -8.991 -10.347 7.957 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.924 -11.152 5.436 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.679 -9.869 5.012 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.366 -9.889 3.984 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.546 -8.754 5.791 1.00 0.00 N ATOM 0 H ASN A 68 -11.520 -13.499 7.175 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.722 -12.742 6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.865 -10.905 5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.021 -11.879 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.025 -7.891 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.968 -8.785 6.631 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.916 -10.904 8.993 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.685 -9.969 10.055 1.00 0.00 C ATOM 1105 C LEU A 69 -10.238 -10.846 11.156 1.00 0.00 C ATOM 1106 O LEU A 69 -10.639 -12.007 11.198 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.932 -9.220 10.551 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.615 -8.230 9.581 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.620 -7.318 8.840 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -13.612 -8.922 8.639 1.00 0.00 C ATOM 0 H LEU A 69 -11.757 -11.472 9.090 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.999 -9.192 9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.673 -9.963 10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.656 -8.670 11.451 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.205 -7.560 10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.166 -6.648 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.056 -6.731 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.933 -7.929 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.063 -8.181 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.090 -9.670 8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.391 -9.407 9.227 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.376 -10.333 12.054 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.794 -11.178 13.050 1.00 0.00 C ATOM 1124 C ARG A 70 -8.753 -10.374 14.290 1.00 0.00 C ATOM 1125 O ARG A 70 -8.165 -9.295 14.328 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.342 -11.629 12.796 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.148 -12.962 12.046 1.00 0.00 C ATOM 1128 CD ARG A 70 -7.344 -12.927 10.531 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.912 -14.251 10.004 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.772 -14.455 8.662 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -7.024 -13.447 7.778 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.376 -15.678 8.202 1.00 0.00 N ATOM 0 H ARG A 70 -9.087 -9.355 12.091 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.399 -12.084 13.074 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.837 -10.845 12.231 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.837 -11.705 13.759 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.141 -13.326 12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.842 -13.692 12.463 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.388 -12.735 10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.757 -12.124 10.085 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.719 -15.014 10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.320 -12.532 8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.917 -13.608 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.186 -16.434 8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.270 -15.836 7.200 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.380 -10.927 15.341 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.420 -10.325 16.633 1.00 0.00 C ATOM 1148 C ILE A 71 -8.324 -10.982 17.409 1.00 0.00 C ATOM 1149 O ILE A 71 -8.023 -12.153 17.194 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.792 -10.503 17.262 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.019 -9.558 18.454 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.098 -11.976 17.606 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.509 -9.251 18.634 1.00 0.00 C ATOM 0 H ILE A 71 -9.873 -11.818 15.290 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.264 -9.247 16.603 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.517 -10.213 16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.625 -10.012 19.363 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.469 -8.630 18.297 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.090 -12.047 18.053 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.066 -12.576 16.697 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.355 -12.347 18.312 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.642 -8.581 19.483 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.894 -8.775 17.732 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.052 -10.178 18.815 1.00 0.00 H new ATOM 1165 N SER A 72 -7.676 -10.235 18.323 1.00 0.00 N ATOM 1166 CA SER A 72 -6.553 -10.777 19.038 1.00 0.00 C ATOM 1167 C SER A 72 -6.992 -11.535 20.249 1.00 0.00 C ATOM 1168 O SER A 72 -8.166 -11.537 20.614 1.00 0.00 O ATOM 1169 CB SER A 72 -5.559 -9.702 19.493 1.00 0.00 C ATOM 1170 OG SER A 72 -6.093 -8.864 20.494 1.00 0.00 O ATOM 0 H SER A 72 -7.920 -9.275 18.566 1.00 0.00 H new ATOM 0 HA SER A 72 -6.057 -11.441 18.330 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.656 -10.182 19.869 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.265 -9.097 18.635 1.00 0.00 H new ATOM 0 HG SER A 72 -5.380 -8.303 20.866 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.017 -12.198 20.905 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.250 -12.828 22.171 1.00 0.00 C ATOM 1178 C LYS A 73 -5.084 -12.494 23.046 1.00 0.00 C ATOM 1179 O LYS A 73 -5.000 -12.971 24.177 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.466 -14.358 22.101 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.376 -15.137 21.351 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.668 -16.641 21.272 1.00 0.00 C ATOM 1183 CE LYS A 73 -4.606 -17.409 20.478 1.00 0.00 C ATOM 1184 NZ LYS A 73 -4.930 -18.850 20.432 1.00 0.00 N ATOM 0 H LYS A 73 -5.064 -12.297 20.556 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.189 -12.446 22.573 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.534 -14.746 23.117 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.425 -14.552 21.621 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.279 -14.737 20.342 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.418 -14.983 21.848 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.727 -17.049 22.281 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.643 -16.794 20.809 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.545 -17.012 19.465 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.627 -17.265 20.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.199 -19.353 19.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.965 -19.229 21.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.854 -18.984 19.974 1.00 0.00 H new ATOM 1198 N SER A 74 -4.166 -11.640 22.539 1.00 0.00 N ATOM 1199 CA SER A 74 -3.109 -11.086 23.329 1.00 0.00 C ATOM 1200 C SER A 74 -3.421 -9.631 23.388 1.00 0.00 C ATOM 1201 O SER A 74 -2.945 -8.858 22.562 1.00 0.00 O ATOM 1202 CB SER A 74 -1.711 -11.280 22.721 1.00 0.00 C ATOM 1203 OG SER A 74 -0.724 -10.661 23.533 1.00 0.00 O ATOM 0 H SER A 74 -4.161 -11.332 21.567 1.00 0.00 H new ATOM 0 HA SER A 74 -3.068 -11.581 24.299 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.495 -12.344 22.624 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.683 -10.856 21.717 1.00 0.00 H new ATOM 0 HG SER A 74 0.160 -10.795 23.133 1.00 0.00 H new ATOM 1209 N SER A 75 -4.266 -9.278 24.378 1.00 0.00 N ATOM 1210 CA SER A 75 -4.773 -7.960 24.684 1.00 0.00 C ATOM 1211 C SER A 75 -3.699 -6.914 24.768 1.00 0.00 C ATOM 1212 O SER A 75 -2.746 -7.040 25.536 1.00 0.00 O ATOM 1213 CB SER A 75 -5.511 -7.956 26.033 1.00 0.00 C ATOM 1214 OG SER A 75 -5.979 -6.654 26.342 1.00 0.00 O ATOM 0 H SER A 75 -4.630 -9.977 25.026 1.00 0.00 H new ATOM 0 HA SER A 75 -5.443 -7.717 23.859 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.350 -8.651 25.997 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.843 -8.304 26.820 1.00 0.00 H new ATOM 0 HG SER A 75 -5.535 -6.331 27.154 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.858 -5.851 23.947 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.882 -4.809 23.804 1.00 0.00 C ATOM 1222 C PHE A 76 -3.428 -3.592 24.433 1.00 0.00 C ATOM 1223 O PHE A 76 -4.640 -3.416 24.550 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.613 -4.357 22.349 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.151 -5.453 21.449 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.086 -6.308 20.913 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.828 -5.563 21.043 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.710 -7.292 20.039 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.441 -6.555 20.156 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.391 -7.436 19.680 1.00 0.00 C ATOM 0 H PHE A 76 -4.687 -5.715 23.369 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.968 -5.217 24.236 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.526 -3.925 21.939 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.862 -3.567 22.358 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.126 -6.202 21.184 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.093 -4.869 21.422 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.454 -7.959 19.629 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.589 -6.638 19.842 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.097 -8.241 19.023 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.493 -2.711 24.826 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.805 -1.443 25.380 1.00 0.00 C ATOM 1242 C GLN A 77 -3.048 -0.534 24.256 1.00 0.00 C ATOM 1243 O GLN A 77 -2.431 -0.650 23.206 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.676 -0.966 26.312 1.00 0.00 C ATOM 1245 CG GLN A 77 -2.142 -0.066 27.456 1.00 0.00 C ATOM 1246 CD GLN A 77 -1.125 -0.126 28.590 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.029 0.291 28.449 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.601 -0.669 29.753 1.00 0.00 N ATOM 0 H GLN A 77 -1.492 -2.891 24.754 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.697 -1.484 26.005 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.175 -1.838 26.732 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.936 -0.428 25.720 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.252 0.960 27.105 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.121 -0.388 27.812 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.566 -0.996 29.806 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.991 -0.747 30.567 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.015 0.370 24.452 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.524 1.148 23.377 1.00 0.00 C ATOM 1259 C VAL A 78 -4.736 2.497 23.959 1.00 0.00 C ATOM 1260 O VAL A 78 -5.151 2.632 25.107 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.796 0.514 22.839 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.950 1.502 22.567 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.352 -0.248 21.581 1.00 0.00 C ATOM 0 H VAL A 78 -4.445 0.562 25.357 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.853 1.208 22.520 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.238 -0.142 23.588 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.814 0.957 22.186 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.221 2.009 23.493 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.632 2.239 21.830 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.215 -0.737 21.129 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.916 0.451 20.867 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.610 -0.999 21.853 1.00 0.00 H new ATOM 1273 N THR A 79 -4.433 3.532 23.157 1.00 0.00 N ATOM 1274 CA THR A 79 -4.845 4.864 23.456 1.00 0.00 C ATOM 1275 C THR A 79 -5.480 5.298 22.194 1.00 0.00 C ATOM 1276 O THR A 79 -4.803 5.536 21.192 1.00 0.00 O ATOM 1277 CB THR A 79 -3.744 5.816 23.843 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.117 5.350 25.025 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.327 7.208 24.133 1.00 0.00 C ATOM 0 H THR A 79 -3.897 3.443 22.294 1.00 0.00 H new ATOM 0 HA THR A 79 -5.489 4.873 24.336 1.00 0.00 H new ATOM 0 HB THR A 79 -3.029 5.875 23.023 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.501 4.621 24.803 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.523 7.889 24.412 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.829 7.585 23.242 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.044 7.139 24.951 1.00 0.00 H new ATOM 1287 N THR A 80 -6.820 5.397 22.238 1.00 0.00 N ATOM 1288 CA THR A 80 -7.582 5.894 21.141 1.00 0.00 C ATOM 1289 C THR A 80 -7.554 7.376 21.276 1.00 0.00 C ATOM 1290 O THR A 80 -8.291 7.947 22.077 1.00 0.00 O ATOM 1291 CB THR A 80 -9.002 5.399 21.171 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.995 3.983 21.233 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.750 5.844 19.906 1.00 0.00 C ATOM 0 H THR A 80 -7.380 5.128 23.047 1.00 0.00 H new ATOM 0 HA THR A 80 -7.162 5.552 20.195 1.00 0.00 H new ATOM 0 HB THR A 80 -9.506 5.814 22.044 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.917 3.652 21.254 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.776 5.478 19.942 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.755 6.933 19.850 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.251 5.438 19.026 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.685 8.029 20.482 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.611 9.454 20.469 1.00 0.00 C ATOM 1303 C CYS A 81 -7.671 9.895 19.531 1.00 0.00 C ATOM 1304 O CYS A 81 -7.555 9.742 18.318 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.284 10.001 19.942 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.867 9.492 20.959 1.00 0.00 S ATOM 0 H CYS A 81 -6.033 7.567 19.848 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.718 9.817 21.491 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.134 9.657 18.918 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.331 11.089 19.909 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.746 10.437 20.116 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.932 10.753 19.385 1.00 0.00 C ATOM 1313 C LYS A 82 -10.057 12.215 19.556 1.00 0.00 C ATOM 1314 O LYS A 82 -9.744 12.743 20.620 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.196 10.051 19.915 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.464 10.345 19.096 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.674 9.559 19.602 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.991 10.013 18.968 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.127 9.256 19.538 1.00 0.00 N ATOM 0 H LYS A 82 -8.796 10.660 21.110 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.852 10.420 18.350 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.024 8.975 19.926 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.364 10.357 20.948 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.683 11.412 19.138 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.284 10.098 18.050 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.524 8.499 19.395 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.743 9.666 20.685 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.135 11.080 19.138 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.952 9.865 17.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.013 9.576 19.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.995 8.241 19.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.172 9.418 20.564 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.497 12.894 18.487 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.482 14.321 18.464 1.00 0.00 C ATOM 1335 C LEU A 83 -11.709 14.830 19.137 1.00 0.00 C ATOM 1336 O LEU A 83 -12.835 14.529 18.747 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.352 14.885 17.040 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.091 16.403 16.924 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.122 16.986 17.964 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -9.479 16.689 15.553 1.00 0.00 C ATOM 0 H LEU A 83 -10.862 12.458 17.640 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.599 14.664 19.004 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.540 14.359 16.537 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.267 14.653 16.496 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.062 16.871 17.087 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.008 18.057 17.795 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.518 16.817 18.965 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.152 16.498 17.871 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.289 17.758 15.455 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.541 16.143 15.452 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.170 16.371 14.772 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.460 15.629 20.190 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.473 16.274 20.962 1.00 0.00 C ATOM 1354 C HIS A 84 -12.001 17.682 21.089 1.00 0.00 C ATOM 1355 O HIS A 84 -11.839 18.212 22.186 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.634 15.644 22.355 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.160 14.244 22.272 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -12.520 13.056 22.369 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -14.475 13.975 22.012 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -13.457 12.079 22.180 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -14.629 12.659 21.963 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.515 15.833 20.515 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.449 16.186 20.485 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.672 15.641 22.867 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.312 16.253 22.954 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -15.255 14.709 21.871 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.274 11.015 22.203 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.508 12.172 21.787 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.761 18.299 19.917 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.306 19.655 19.808 1.00 0.00 C ATOM 1372 C GLY A 85 -12.352 20.352 19.022 1.00 0.00 C ATOM 1373 O GLY A 85 -13.027 21.254 19.516 1.00 0.00 O ATOM 0 H GLY A 85 -11.887 17.841 19.015 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.183 20.110 20.791 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.338 19.707 19.309 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.498 19.907 17.762 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.542 20.358 16.887 1.00 0.00 C ATOM 1379 C GLY A 86 -12.959 21.162 15.772 1.00 0.00 C ATOM 1380 O GLY A 86 -13.690 21.589 14.879 1.00 0.00 O ATOM 0 H GLY A 86 -11.877 19.217 17.338 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.086 19.503 16.485 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.260 20.960 17.444 1.00 0.00 H new ATOM 1384 N SER A 87 -11.628 21.382 15.798 1.00 0.00 N ATOM 1385 CA SER A 87 -10.956 22.096 14.750 1.00 0.00 C ATOM 1386 C SER A 87 -10.533 21.072 13.726 1.00 0.00 C ATOM 1387 O SER A 87 -10.069 20.006 14.129 1.00 0.00 O ATOM 1388 CB SER A 87 -9.709 22.850 15.246 1.00 0.00 C ATOM 1389 OG SER A 87 -8.894 22.003 16.041 1.00 0.00 O ATOM 0 H SER A 87 -11.015 21.064 16.548 1.00 0.00 H new ATOM 0 HA SER A 87 -11.635 22.845 14.342 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.137 23.218 14.394 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.012 23.721 15.827 1.00 0.00 H new ATOM 0 HG SER A 87 -8.445 21.348 15.467 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.643 21.310 12.422 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.104 20.406 11.441 1.00 0.00 C ATOM 1397 C PRO A 88 -8.643 20.692 11.255 1.00 0.00 C ATOM 1398 O PRO A 88 -7.955 19.829 10.716 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.817 20.754 10.132 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.080 21.500 10.559 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.650 22.189 11.852 1.00 0.00 C ATOM 0 HA PRO A 88 -10.237 19.365 11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.189 21.374 9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.061 19.856 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.398 22.220 9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.915 20.819 10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.244 23.181 11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.493 22.318 12.531 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.175 21.902 11.623 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.884 22.378 11.225 1.00 0.00 C ATOM 1411 C TRP A 89 -5.975 22.366 12.417 1.00 0.00 C ATOM 1412 O TRP A 89 -6.495 22.406 13.531 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.995 23.805 10.661 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.957 23.841 9.500 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.206 24.383 9.435 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.743 23.154 8.256 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.781 24.089 8.223 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.896 23.325 7.491 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.685 22.423 7.792 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.005 22.769 6.248 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.800 21.849 6.545 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.941 22.020 5.783 1.00 0.00 C ATOM 0 H TRP A 89 -8.699 22.557 12.203 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.480 21.731 10.447 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.333 24.486 11.442 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.013 24.152 10.338 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.674 24.958 10.220 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.707 24.386 7.916 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.789 22.300 8.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.893 22.910 5.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.986 21.256 6.156 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.002 21.560 4.808 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.651 22.312 12.252 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.739 22.110 13.348 1.00 0.00 C ATOM 1435 C PRO A 90 -3.636 23.396 14.137 1.00 0.00 C ATOM 1436 O PRO A 90 -3.730 24.446 13.502 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.377 21.811 12.706 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.533 22.162 11.223 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.028 21.991 10.981 1.00 0.00 C ATOM 0 HA PRO A 90 -4.064 21.308 14.011 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.588 22.404 13.168 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.105 20.763 12.834 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.205 23.180 11.013 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.944 21.500 10.588 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.379 22.654 10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.264 20.973 10.671 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.414 23.410 15.447 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.281 22.248 16.284 1.00 0.00 C ATOM 1449 C PRO A 91 -4.643 21.752 16.631 1.00 0.00 C ATOM 1450 O PRO A 91 -5.636 22.452 16.434 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.622 22.733 17.567 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.936 24.034 17.168 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.840 24.585 16.066 1.00 0.00 C ATOM 0 HA PRO A 91 -2.711 21.459 15.793 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.357 22.896 18.355 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.905 22.005 17.946 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.861 24.723 18.009 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.922 23.860 16.807 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.613 25.236 16.475 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.274 25.176 15.346 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.672 20.526 17.165 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.889 19.827 17.445 1.00 0.00 C ATOM 1463 C CYS A 92 -5.691 19.167 18.758 1.00 0.00 C ATOM 1464 O CYS A 92 -4.717 18.441 18.946 1.00 0.00 O ATOM 1465 CB CYS A 92 -6.204 18.752 16.393 1.00 0.00 C ATOM 1466 SG CYS A 92 -7.007 19.505 14.956 1.00 0.00 S ATOM 0 H CYS A 92 -3.832 20.003 17.410 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.723 20.529 17.439 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.285 18.252 16.086 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.853 17.989 16.824 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.626 19.425 19.697 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.532 18.920 21.038 1.00 0.00 C ATOM 1473 C GLN A 93 -7.215 17.594 21.075 1.00 0.00 C ATOM 1474 O GLN A 93 -8.438 17.510 21.184 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.178 19.852 22.083 1.00 0.00 C ATOM 1476 CG GLN A 93 -6.953 19.399 23.534 1.00 0.00 C ATOM 1477 CD GLN A 93 -7.548 20.458 24.459 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -6.818 21.196 25.132 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.913 20.519 24.483 1.00 0.00 N ATOM 0 H GLN A 93 -7.457 19.991 19.524 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.476 18.845 21.297 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.776 20.857 21.959 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.249 19.911 21.892 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.425 18.432 23.709 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.889 19.274 23.733 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.462 19.883 23.905 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.383 21.201 25.079 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.407 16.523 20.985 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.898 15.181 20.996 1.00 0.00 C ATOM 1490 C TYR A 94 -7.048 14.772 22.426 1.00 0.00 C ATOM 1491 O TYR A 94 -6.131 14.981 23.219 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.871 14.207 20.422 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.759 14.445 18.968 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.711 13.896 18.142 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.721 15.183 18.432 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.661 14.118 16.783 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.671 15.413 17.073 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.639 14.878 16.249 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.530 15.055 14.858 1.00 0.00 O ATOM 0 H TYR A 94 -5.393 16.591 20.903 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.822 15.153 20.418 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.904 14.349 20.904 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.176 13.178 20.615 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.501 13.289 18.560 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.950 15.579 19.076 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.419 13.699 16.137 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.875 16.011 16.655 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.142 14.441 14.401 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.194 14.155 22.776 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.383 13.614 24.092 1.00 0.00 C ATOM 1511 C ARG A 95 -8.154 12.142 24.002 1.00 0.00 C ATOM 1512 O ARG A 95 -8.701 11.470 23.128 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.786 13.888 24.668 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.954 13.439 26.126 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.235 13.975 26.771 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.286 13.495 28.186 1.00 0.00 N ATOM 1517 CZ ARG A 95 -10.695 14.178 29.213 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -10.020 15.341 28.987 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -10.783 13.686 30.484 1.00 0.00 N ATOM 0 H ARG A 95 -8.989 14.030 22.150 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.681 14.099 24.770 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.995 14.956 24.600 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.527 13.378 24.053 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.961 12.350 26.167 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.094 13.774 26.705 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.249 15.064 26.739 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.110 13.629 26.221 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.779 12.627 28.393 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.950 15.714 28.040 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.585 15.838 29.765 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.286 12.816 30.661 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.346 14.188 31.257 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.330 11.617 24.931 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.036 10.216 25.001 1.00 0.00 C ATOM 1535 C ALA A 96 -8.166 9.493 25.659 1.00 0.00 C ATOM 1536 O ALA A 96 -8.616 9.874 26.740 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.819 9.926 25.892 1.00 0.00 C ATOM 0 H ALA A 96 -6.861 12.174 25.645 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.858 9.894 23.975 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.633 8.852 25.916 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.944 10.437 25.490 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.015 10.283 26.903 1.00 0.00 H new ATOM 1543 N THR A 97 -8.620 8.404 25.007 1.00 0.00 N ATOM 1544 CA THR A 97 -9.581 7.492 25.555 1.00 0.00 C ATOM 1545 C THR A 97 -8.871 6.174 25.562 1.00 0.00 C ATOM 1546 O THR A 97 -8.908 5.430 24.585 1.00 0.00 O ATOM 1547 CB THR A 97 -10.847 7.409 24.734 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.380 8.714 24.561 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.898 6.533 25.445 1.00 0.00 C ATOM 0 H THR A 97 -8.309 8.150 24.069 1.00 0.00 H new ATOM 0 HA THR A 97 -9.910 7.813 26.543 1.00 0.00 H new ATOM 0 HB THR A 97 -10.607 6.965 23.768 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.200 8.664 24.027 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.802 6.485 24.838 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.500 5.528 25.583 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.135 6.966 26.417 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.181 5.875 26.681 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.323 4.729 26.746 1.00 0.00 C ATOM 1559 C ALA A 98 -8.082 3.534 27.220 1.00 0.00 C ATOM 1560 O ALA A 98 -9.020 3.646 28.008 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.132 4.932 27.687 1.00 0.00 C ATOM 0 H ALA A 98 -8.217 6.426 27.539 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.947 4.579 25.734 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.518 4.032 27.696 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.535 5.776 27.341 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.495 5.133 28.695 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.658 2.348 26.737 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.252 1.102 27.123 1.00 0.00 C ATOM 1569 C GLY A 99 -7.177 0.064 27.093 1.00 0.00 C ATOM 1570 O GLY A 99 -6.000 0.371 26.917 1.00 0.00 O ATOM 0 H GLY A 99 -6.893 2.253 26.070 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.685 1.176 28.120 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.061 0.836 26.443 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.584 -1.208 27.277 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.697 -2.333 27.211 1.00 0.00 C ATOM 1576 C PHE A 100 -7.598 -3.418 26.723 1.00 0.00 C ATOM 1577 O PHE A 100 -8.382 -3.963 27.501 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.110 -2.714 28.593 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.976 -3.690 28.497 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.755 -3.253 28.044 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.063 -4.986 28.974 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.627 -4.027 28.096 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -3.942 -5.800 28.989 1.00 0.00 C ATOM 1584 CZ PHE A 100 -2.716 -5.320 28.564 1.00 0.00 C ATOM 0 H PHE A 100 -8.552 -1.461 27.476 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.829 -2.139 26.582 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.764 -1.811 29.096 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.899 -3.141 29.212 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.682 -2.258 27.630 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.008 -5.364 29.336 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.677 -3.628 27.773 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.026 -6.819 29.336 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.840 -5.951 28.599 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.541 -3.731 25.409 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.489 -4.665 24.869 1.00 0.00 C ATOM 1596 C ARG A 101 -7.857 -5.426 23.765 1.00 0.00 C ATOM 1597 O ARG A 101 -6.749 -5.127 23.328 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.817 -4.052 24.361 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.731 -3.195 23.082 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.106 -2.688 22.623 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.003 -3.851 22.324 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.156 -4.369 21.068 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -11.456 -3.873 20.008 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -13.010 -5.418 20.875 1.00 0.00 N ATOM 0 H ARG A 101 -6.866 -3.354 24.743 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.764 -5.306 25.707 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.522 -4.864 24.181 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.236 -3.437 25.157 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.074 -2.344 23.262 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.279 -3.783 22.284 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.551 -2.064 23.398 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.996 -2.064 21.736 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.523 -4.275 23.092 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.803 -3.101 20.144 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.585 -4.274 19.079 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.526 -5.807 21.664 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.131 -5.812 19.942 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.600 -6.442 23.294 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.183 -7.305 22.238 1.00 0.00 C ATOM 1620 C ASN A 102 -8.548 -6.625 20.961 1.00 0.00 C ATOM 1621 O ASN A 102 -9.718 -6.370 20.692 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.820 -8.713 22.306 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.268 -8.686 22.811 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.537 -8.538 24.009 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.220 -8.892 21.851 1.00 0.00 N ATOM 0 H ASN A 102 -9.524 -6.669 23.662 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.109 -7.475 22.319 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.794 -9.167 21.315 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.223 -9.346 22.962 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.206 -8.929 22.110 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.944 -9.008 20.876 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.516 -6.300 20.156 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.674 -5.396 19.052 1.00 0.00 C ATOM 1634 C VAL A 103 -8.030 -6.183 17.836 1.00 0.00 C ATOM 1635 O VAL A 103 -7.480 -7.256 17.595 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.460 -4.516 18.784 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.162 -3.711 20.065 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.232 -5.336 18.340 1.00 0.00 C ATOM 0 H VAL A 103 -6.570 -6.664 20.270 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.473 -4.703 19.318 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.681 -3.841 17.958 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.295 -3.071 19.899 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.025 -3.095 20.316 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.955 -4.397 20.886 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.392 -4.665 18.161 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.968 -6.048 19.122 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.467 -5.876 17.423 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.971 -5.643 17.037 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.281 -6.219 15.764 1.00 0.00 C ATOM 1650 C VAL A 104 -8.453 -5.468 14.773 1.00 0.00 C ATOM 1651 O VAL A 104 -8.568 -4.250 14.662 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.725 -6.065 15.346 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.961 -6.734 13.988 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.637 -6.787 16.337 1.00 0.00 C ATOM 0 H VAL A 104 -9.514 -4.812 17.271 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.085 -7.290 15.818 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.941 -4.997 15.305 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.006 -6.615 13.700 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.322 -6.269 13.237 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.723 -7.795 14.059 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.676 -6.670 16.027 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.382 -7.847 16.361 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.505 -6.360 17.331 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.629 -6.211 14.009 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.905 -5.678 12.882 1.00 0.00 C ATOM 1666 C VAL A 105 -7.444 -6.411 11.679 1.00 0.00 C ATOM 1667 O VAL A 105 -7.872 -7.560 11.792 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.400 -5.845 12.989 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.891 -5.040 14.197 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.974 -7.313 13.150 1.00 0.00 C ATOM 0 H VAL A 105 -7.459 -7.203 14.173 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.052 -4.600 12.821 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.965 -5.480 12.059 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.810 -5.154 14.281 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.135 -3.986 14.061 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.367 -5.408 15.106 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.888 -7.371 13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.420 -7.724 14.056 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.312 -7.887 12.287 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.439 -5.754 10.496 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.844 -6.386 9.264 1.00 0.00 C ATOM 1682 C ALA A 106 -6.602 -6.893 8.621 1.00 0.00 C ATOM 1683 O ALA A 106 -5.649 -6.135 8.461 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.504 -5.437 8.260 1.00 0.00 C ATOM 0 H ALA A 106 -7.153 -4.780 10.391 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.577 -7.153 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.778 -5.991 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.399 -5.001 8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.806 -4.642 7.997 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.604 -8.197 8.256 1.00 0.00 N ATOM 1691 CA CYS A 107 -5.423 -8.871 7.797 1.00 0.00 C ATOM 1692 C CYS A 107 -5.512 -9.233 6.355 1.00 0.00 C ATOM 1693 O CYS A 107 -6.591 -9.405 5.792 1.00 0.00 O ATOM 1694 CB CYS A 107 -5.166 -10.189 8.535 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.939 -9.935 10.309 1.00 0.00 S ATOM 0 H CYS A 107 -7.435 -8.787 8.281 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.619 -8.159 7.984 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.003 -10.867 8.370 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.280 -10.670 8.121 1.00 0.00 H new ATOM 1700 N GLU A 108 -4.316 -9.379 5.750 1.00 0.00 N ATOM 1701 CA GLU A 108 -4.130 -9.845 4.410 1.00 0.00 C ATOM 1702 C GLU A 108 -2.703 -10.288 4.390 1.00 0.00 C ATOM 1703 O GLU A 108 -1.817 -9.515 4.748 1.00 0.00 O ATOM 1704 CB GLU A 108 -4.307 -8.745 3.342 1.00 0.00 C ATOM 1705 CG GLU A 108 -4.160 -9.230 1.893 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.418 -8.036 0.984 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -3.639 -7.049 1.068 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -5.396 -8.097 0.192 1.00 0.00 O ATOM 0 H GLU A 108 -3.437 -9.161 6.220 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.865 -10.613 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.293 -8.296 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.574 -7.959 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.162 -9.633 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.868 -10.032 1.683 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.465 -11.553 3.967 1.00 0.00 N ATOM 1716 CA ASN A 109 -1.181 -12.196 3.760 1.00 0.00 C ATOM 1717 C ASN A 109 -0.360 -12.438 5.004 1.00 0.00 C ATOM 1718 O ASN A 109 0.828 -12.745 4.903 1.00 0.00 O ATOM 1719 CB ASN A 109 -0.305 -11.638 2.591 1.00 0.00 C ATOM 1720 CG ASN A 109 0.366 -10.272 2.829 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.320 -10.125 3.603 1.00 0.00 O ATOM 1722 ND2 ASN A 109 -0.145 -9.242 2.086 1.00 0.00 N ATOM 0 H ASN A 109 -3.237 -12.184 3.750 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.517 -13.177 3.424 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.474 -12.367 2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.931 -11.561 1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.262 -8.310 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.933 -9.407 1.460 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.968 -12.327 6.209 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.279 -12.560 7.450 1.00 0.00 C ATOM 1731 C GLY A 110 0.185 -11.261 8.037 1.00 0.00 C ATOM 1732 O GLY A 110 0.764 -11.240 9.122 1.00 0.00 O ATOM 0 H GLY A 110 -1.949 -12.073 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.940 -13.069 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.574 -13.217 7.283 1.00 0.00 H new ATOM 1736 N LEU A 111 -0.073 -10.145 7.326 1.00 0.00 N ATOM 1737 CA LEU A 111 0.255 -8.830 7.782 1.00 0.00 C ATOM 1738 C LEU A 111 -1.048 -8.207 8.139 1.00 0.00 C ATOM 1739 O LEU A 111 -1.990 -8.389 7.373 1.00 0.00 O ATOM 1740 CB LEU A 111 0.760 -7.937 6.650 1.00 0.00 C ATOM 1741 CG LEU A 111 2.280 -7.744 6.598 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.132 -8.993 6.780 1.00 0.00 C ATOM 1743 CD2 LEU A 111 2.714 -7.028 5.319 1.00 0.00 C ATOM 0 H LEU A 111 -0.522 -10.160 6.410 1.00 0.00 H new ATOM 0 HA LEU A 111 1.002 -8.911 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.431 -8.360 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.289 -6.959 6.743 1.00 0.00 H new ATOM 0 HG LEU A 111 2.471 -7.129 7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.187 -8.725 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.922 -9.438 7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.897 -9.711 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.798 -6.909 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.413 -7.617 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.242 -6.047 5.273 1.00 0.00 H new ATOM 1755 N PRO A 112 -1.195 -7.476 9.220 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.366 -6.682 9.432 1.00 0.00 C ATOM 1757 C PRO A 112 -2.167 -5.469 8.581 1.00 0.00 C ATOM 1758 O PRO A 112 -1.279 -4.668 8.851 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.375 -6.396 10.924 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.928 -6.560 11.382 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.346 -7.564 10.390 1.00 0.00 C ATOM 0 HA PRO A 112 -3.322 -7.132 9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.739 -5.389 11.128 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.034 -7.086 11.451 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.390 -5.613 11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.871 -6.930 12.406 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.688 -7.322 10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.348 -8.573 10.803 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.993 -5.327 7.535 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.817 -4.307 6.553 1.00 0.00 C ATOM 1771 C VAL A 113 -3.611 -3.092 6.902 1.00 0.00 C ATOM 1772 O VAL A 113 -3.341 -2.021 6.362 1.00 0.00 O ATOM 1773 CB VAL A 113 -3.228 -4.751 5.167 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -2.034 -5.460 4.509 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.441 -5.695 5.255 1.00 0.00 C ATOM 0 H VAL A 113 -3.798 -5.931 7.367 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.750 -4.083 6.547 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.516 -3.889 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.312 -5.788 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.192 -4.771 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.750 -6.325 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.730 -6.010 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.178 -6.571 5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.274 -5.174 5.726 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.626 -3.221 7.789 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.489 -2.101 8.037 1.00 0.00 C ATOM 1787 C HIS A 114 -5.966 -2.269 9.426 1.00 0.00 C ATOM 1788 O HIS A 114 -5.597 -3.232 10.099 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.761 -2.011 7.167 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.579 -2.350 5.721 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.752 -3.531 5.085 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -6.177 -1.438 4.785 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.454 -3.322 3.766 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -6.109 -2.051 3.610 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.842 -4.068 8.315 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.905 -1.207 7.819 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.515 -2.678 7.586 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -7.157 -0.998 7.237 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -7.048 -4.410 5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.953 -0.398 4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.493 -4.066 2.984 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.810 -1.318 9.871 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.370 -1.365 11.181 1.00 0.00 C ATOM 1805 C LEU A 115 -8.847 -1.371 11.028 1.00 0.00 C ATOM 1806 O LEU A 115 -9.391 -0.665 10.179 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.999 -0.128 12.019 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.981 -0.350 13.558 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.526 -1.695 14.149 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.311 0.783 14.332 1.00 0.00 C ATOM 0 H LEU A 115 -7.103 -0.514 9.317 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.986 -2.250 11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.014 0.220 11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.706 0.670 11.792 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.061 -0.365 13.705 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.584 -1.653 15.237 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.173 -2.491 13.782 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.498 -1.895 13.848 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.336 0.559 15.399 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.276 0.884 14.006 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.843 1.716 14.145 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.524 -2.158 11.886 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.941 -2.034 12.047 1.00 0.00 C ATOM 1824 C ASP A 116 -11.105 -0.933 13.029 1.00 0.00 C ATOM 1825 O ASP A 116 -10.553 -0.992 14.127 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.630 -3.271 12.641 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.704 -4.355 11.577 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.629 -4.810 11.108 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.847 -4.752 11.223 1.00 0.00 O ATOM 0 H ASP A 116 -9.092 -2.877 12.466 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.392 -1.876 11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.075 -3.631 13.508 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.631 -3.014 12.987 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.875 0.100 12.634 1.00 0.00 N ATOM 1835 CA GLN A 117 -12.128 1.257 13.441 1.00 0.00 C ATOM 1836 C GLN A 117 -13.597 1.200 13.698 1.00 0.00 C ATOM 1837 O GLN A 117 -14.342 2.118 13.363 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.804 2.590 12.721 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.340 2.764 12.266 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.462 3.380 13.361 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -9.406 2.710 14.549 1.00 0.00 O flip ATOM 1842 NE2 GLN A 117 -8.837 4.425 13.142 1.00 0.00 N flip ATOM 0 H GLN A 117 -12.336 0.131 11.725 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.503 1.241 14.334 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.450 2.676 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.059 3.414 13.388 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.933 1.794 11.979 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.310 3.397 11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.915 4.885 12.235 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.244 4.826 13.868 1.00 0.00 H new ATOM 1851 N SER A 118 -14.044 0.072 14.277 1.00 0.00 N ATOM 1852 CA SER A 118 -15.432 -0.169 14.527 1.00 0.00 C ATOM 1853 C SER A 118 -15.776 0.371 15.876 1.00 0.00 C ATOM 1854 O SER A 118 -16.746 1.115 16.022 1.00 0.00 O ATOM 1855 CB SER A 118 -15.783 -1.666 14.508 1.00 0.00 C ATOM 1856 OG SER A 118 -17.157 -1.852 14.809 1.00 0.00 O ATOM 0 H SER A 118 -13.432 -0.686 14.577 1.00 0.00 H new ATOM 0 HA SER A 118 -15.998 0.321 13.735 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.558 -2.087 13.528 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.169 -2.200 15.233 1.00 0.00 H new ATOM 0 HG SER A 118 -17.369 -2.809 14.792 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.982 -0.027 16.897 1.00 0.00 N ATOM 1863 CA ILE A 119 -15.298 0.249 18.273 1.00 0.00 C ATOM 1864 C ILE A 119 -14.619 1.528 18.600 1.00 0.00 C ATOM 1865 O ILE A 119 -15.047 2.275 19.479 1.00 0.00 O ATOM 1866 CB ILE A 119 -14.917 -0.866 19.249 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -13.524 -0.817 19.930 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -15.010 -2.170 18.443 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -13.474 -0.121 21.298 1.00 0.00 C ATOM 0 H ILE A 119 -14.113 -0.545 16.766 1.00 0.00 H new ATOM 0 HA ILE A 119 -16.380 0.318 18.388 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.601 -0.763 20.091 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.163 -1.838 20.049 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.830 -0.310 19.260 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.749 -3.013 19.083 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -16.027 -2.297 18.073 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.320 -2.127 17.600 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.454 -0.145 21.681 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.798 0.914 21.191 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.135 -0.638 21.994 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.494 1.762 17.892 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.543 2.759 18.250 1.00 0.00 C ATOM 1883 C PHE A 120 -12.968 4.084 17.715 1.00 0.00 C ATOM 1884 O PHE A 120 -12.527 5.106 18.234 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.148 2.468 17.681 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.611 1.166 18.189 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.247 1.021 19.516 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -10.414 0.100 17.328 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.687 -0.159 19.967 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -9.847 -1.077 17.772 1.00 0.00 C ATOM 1891 CZ PHE A 120 -9.480 -1.208 19.095 1.00 0.00 C ATOM 0 H PHE A 120 -13.245 1.242 17.051 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.494 2.760 19.339 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.195 2.444 16.592 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.467 3.275 17.953 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.402 1.838 20.206 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.709 0.191 16.293 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.410 -0.261 21.006 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -9.691 -1.895 17.084 1.00 0.00 H new ATOM 0 HZ PHE A 120 -9.033 -2.126 19.446 1.00 0.00 H new