USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 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 NoAdj-H: B 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 51 THR OG1 : rot -64:sc= -8.73! USER MOD Set 1.2: A 103 THR OG1 : rot -167:sc= -2.62! USER MOD Set 2.1: A 44 THR OG1 : rot 62:sc= -3.26! USER MOD Set 2.2: A 65 HIS :FLIP no HD1:sc= -15.3! C(o=-20!,f=-19!) USER MOD Set 3.1: A 28 THR OG1 : rot 70:sc= -2.14! USER MOD Set 3.2: A 30 LYS NZ :NH3+ -117:sc= -16.5! (180deg=-26!) USER MOD Set 4.1: A 5 ASN :FLIP amide:sc= -4.39! C(o=-7.2!,f=-6.3!) USER MOD Set 4.2: A 9 TYR OH : rot -130:sc= -1.88! USER MOD Set 5.1: A 4 ASN : amide:sc= -5.43! C(o=-14!,f=-16!) USER MOD Set 5.2: A 45 TYR OH : rot 39:sc= -8.29! USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.000111 USER MOD Single : A 12 TYR OH : rot -51:sc= -4.48! USER MOD Single : A 13 ASN :FLIP amide:sc= -14.3! C(o=-16!,f=-14!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -121:sc= 0.618 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -175:sc= -23.3! (180deg=-24.1!) USER MOD Single : A 39 SER OG : rot 61:sc= -0.0956 USER MOD Single : A 41 THR OG1 : rot -62:sc= 0.157 USER MOD Single : A 48 SER OG : rot -28:sc= -13.2! USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= -2.82! (180deg=-3.13!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.12 F(o=-1.7!,f=-0.12) USER MOD Single : A 60 CYS SG : rot -14:sc= -2.58! USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= -0.175! (180deg=-0.267) USER MOD Single : A 63 HIS : no HE2:sc= -15.9! C(o=-16!,f=-17!) USER MOD Single : A 64 TYR OH : rot -140:sc= -8.96! USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.128 (180deg=-0.611) USER MOD Single : A 69 THR OG1 : rot -102:sc= 0.205! USER MOD Single : A 70 ASN :FLIP amide:sc= -0.376 F(o=-3!,f=-0.38) USER MOD Single : A 72 SER OG : rot 45:sc= 0.666 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 87:sc= 0.934 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 155:sc= -4.99! (180deg=-5.68!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -179:sc= -4.59! USER MOD Single : A 92 GLN : amide:sc= -5.27! C(o=-5.3!,f=-13!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -25.3! C(o=-28!,f=-25!) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.949 F(o=-3.5!,f=-0.95) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -3.21 K(o=-3.2,f=-5.6!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -53:sc= -5.61! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 2.609 13.060 7.237 1.00 0.00 C HETATM 2 O ACE A 3 2.487 11.850 7.047 1.00 0.00 O HETATM 3 CH3 ACE A 3 3.642 13.591 8.200 1.00 0.00 C HETATM 0 H1 ACE A 3 4.334 14.243 7.668 1.00 0.00 H new HETATM 0 H2 ACE A 3 3.147 14.155 8.990 1.00 0.00 H new HETATM 0 H3 ACE A 3 4.192 12.759 8.639 1.00 0.00 H new ATOM 7 N ASN A 4 1.856 13.970 6.625 1.00 0.00 N ATOM 8 CA ASN A 4 0.820 13.589 5.672 1.00 0.00 C ATOM 9 C ASN A 4 -0.421 13.072 6.392 1.00 0.00 C ATOM 10 O ASN A 4 -1.504 13.004 5.811 1.00 0.00 O ATOM 11 CB ASN A 4 1.346 12.524 4.709 1.00 0.00 C ATOM 12 CG ASN A 4 2.449 13.052 3.810 1.00 0.00 C ATOM 13 OD1 ASN A 4 3.093 12.290 3.087 1.00 0.00 O ATOM 14 ND2 ASN A 4 2.670 14.360 3.850 1.00 0.00 N ATOM 0 H ASN A 4 1.944 14.975 6.772 1.00 0.00 H new ATOM 0 HA ASN A 4 0.544 14.477 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.722 11.675 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.525 12.156 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.398 14.772 3.267 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.112 14.953 4.464 1.00 0.00 H new ATOM 21 N ASN A 5 -0.256 12.706 7.659 1.00 0.00 N ATOM 22 CA ASN A 5 -1.364 12.194 8.457 1.00 0.00 C ATOM 23 C ASN A 5 -1.626 10.725 8.146 1.00 0.00 C ATOM 24 O ASN A 5 -2.210 10.003 8.954 1.00 0.00 O ATOM 25 CB ASN A 5 -2.627 13.017 8.202 1.00 0.00 C ATOM 26 CG ASN A 5 -3.682 12.234 7.444 1.00 0.00 C ATOM 27 OD1 ASN A 5 -3.285 11.630 6.329 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -4.841 12.172 7.854 1.00 0.00 N flip ATOM 0 H ASN A 5 0.634 12.754 8.155 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.091 12.279 9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.039 13.350 9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.367 13.912 7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.104 12.651 8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.539 11.642 7.332 1.00 0.00 H new ATOM 35 N LEU A 6 -1.187 10.288 6.970 1.00 0.00 N ATOM 36 CA LEU A 6 -1.372 8.904 6.551 1.00 0.00 C ATOM 37 C LEU A 6 -0.334 7.998 7.205 1.00 0.00 C ATOM 38 O LEU A 6 -0.655 6.924 7.712 1.00 0.00 O ATOM 39 CB LEU A 6 -1.289 8.795 5.027 1.00 0.00 C ATOM 40 CG LEU A 6 -1.410 7.374 4.473 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.739 6.762 4.879 1.00 0.00 C ATOM 42 CD2 LEU A 6 -1.263 7.370 2.958 1.00 0.00 C ATOM 0 H LEU A 6 -0.701 10.873 6.290 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.361 8.578 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.078 9.407 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.339 9.217 4.699 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.605 6.772 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.812 5.751 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.806 6.727 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.554 7.368 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.352 6.349 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.045 7.987 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.286 7.771 2.686 1.00 0.00 H new ATOM 54 N GLU A 7 0.910 8.449 7.188 1.00 0.00 N ATOM 55 CA GLU A 7 2.017 7.704 7.774 1.00 0.00 C ATOM 56 C GLU A 7 1.710 7.322 9.217 1.00 0.00 C ATOM 57 O GLU A 7 2.392 6.486 9.809 1.00 0.00 O ATOM 58 CB GLU A 7 3.302 8.533 7.719 1.00 0.00 C ATOM 59 CG GLU A 7 3.787 8.993 9.085 1.00 0.00 C ATOM 60 CD GLU A 7 4.361 7.858 9.911 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.614 6.777 9.340 1.00 0.00 O ATOM 62 OE2 GLU A 7 4.559 8.053 11.129 1.00 0.00 O ATOM 0 H GLU A 7 1.182 9.339 6.770 1.00 0.00 H new ATOM 0 HA GLU A 7 2.155 6.791 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.086 7.943 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.135 9.406 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.546 9.764 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.958 9.449 9.627 1.00 0.00 H new ATOM 69 N THR A 8 0.679 7.944 9.780 1.00 0.00 N ATOM 70 CA THR A 8 0.286 7.673 11.157 1.00 0.00 C ATOM 71 C THR A 8 -0.766 6.571 11.223 1.00 0.00 C ATOM 72 O THR A 8 -1.228 6.208 12.305 1.00 0.00 O ATOM 73 CB THR A 8 -0.251 8.945 11.817 1.00 0.00 C ATOM 74 OG1 THR A 8 -1.631 8.817 12.107 1.00 0.00 O ATOM 75 CG2 THR A 8 -0.073 10.183 10.966 1.00 0.00 C ATOM 0 H THR A 8 0.102 8.638 9.304 1.00 0.00 H new ATOM 0 HA THR A 8 1.171 7.335 11.697 1.00 0.00 H new ATOM 0 HB THR A 8 0.334 9.064 12.729 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.954 9.640 12.530 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.475 11.048 11.493 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.987 10.339 10.768 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.603 10.055 10.022 1.00 0.00 H new ATOM 83 N TYR A 9 -1.141 6.042 10.064 1.00 0.00 N ATOM 84 CA TYR A 9 -2.136 4.987 10.002 1.00 0.00 C ATOM 85 C TYR A 9 -1.504 3.622 10.232 1.00 0.00 C ATOM 86 O TYR A 9 -0.286 3.502 10.360 1.00 0.00 O ATOM 87 CB TYR A 9 -2.853 5.009 8.654 1.00 0.00 C ATOM 88 CG TYR A 9 -3.835 6.145 8.529 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.389 7.452 8.394 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.202 5.915 8.555 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.279 8.499 8.284 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.101 6.958 8.448 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.635 8.249 8.313 1.00 0.00 C ATOM 94 OH TYR A 9 -6.526 9.293 8.208 1.00 0.00 O ATOM 0 H TYR A 9 -0.770 6.328 9.158 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.862 5.166 10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.114 5.085 7.857 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.378 4.064 8.512 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.328 7.652 8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.569 4.905 8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.916 9.510 8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.163 6.764 8.470 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.189 9.231 8.927 1.00 0.00 H new ATOM 104 N GLU A 10 -2.344 2.598 10.295 1.00 0.00 N ATOM 105 CA GLU A 10 -1.877 1.240 10.523 1.00 0.00 C ATOM 106 C GLU A 10 -1.387 0.594 9.238 1.00 0.00 C ATOM 107 O GLU A 10 -1.325 -0.631 9.143 1.00 0.00 O ATOM 108 CB GLU A 10 -2.997 0.390 11.119 1.00 0.00 C ATOM 109 CG GLU A 10 -2.567 -1.030 11.448 1.00 0.00 C ATOM 110 CD GLU A 10 -2.477 -1.283 12.940 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.927 -0.415 13.718 1.00 0.00 O ATOM 112 OE2 GLU A 10 -1.957 -2.349 13.330 1.00 0.00 O ATOM 0 H GLU A 10 -3.355 2.684 10.191 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.042 1.295 11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.364 0.870 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.830 0.356 10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.275 -1.731 11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.597 -1.227 10.991 1.00 0.00 H new ATOM 119 N TRP A 11 -1.060 1.403 8.240 1.00 0.00 N ATOM 120 CA TRP A 11 -0.613 0.847 6.973 1.00 0.00 C ATOM 121 C TRP A 11 0.382 1.736 6.231 1.00 0.00 C ATOM 122 O TRP A 11 1.041 1.273 5.303 1.00 0.00 O ATOM 123 CB TRP A 11 -1.829 0.583 6.092 1.00 0.00 C ATOM 124 CG TRP A 11 -2.974 1.504 6.389 1.00 0.00 C ATOM 125 CD1 TRP A 11 -3.863 1.403 7.418 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.352 2.665 5.649 1.00 0.00 C ATOM 127 NE1 TRP A 11 -4.761 2.435 7.371 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.475 3.223 6.289 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.849 3.290 4.509 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.101 4.374 5.821 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.472 4.432 4.045 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.589 4.964 4.700 1.00 0.00 C ATOM 0 H TRP A 11 -1.094 2.422 8.280 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.083 -0.079 7.198 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.544 0.691 5.046 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.154 -0.448 6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.859 0.621 8.163 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.520 2.591 8.034 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.987 2.888 3.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.962 4.787 6.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.091 4.923 3.162 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.055 5.858 4.312 1.00 0.00 H new ATOM 143 N TYR A 12 0.501 3.001 6.616 1.00 0.00 N ATOM 144 CA TYR A 12 1.430 3.880 5.927 1.00 0.00 C ATOM 145 C TYR A 12 2.849 3.703 6.437 1.00 0.00 C ATOM 146 O TYR A 12 3.188 4.114 7.546 1.00 0.00 O ATOM 147 CB TYR A 12 1.026 5.348 6.039 1.00 0.00 C ATOM 148 CG TYR A 12 1.858 6.236 5.136 1.00 0.00 C ATOM 149 CD1 TYR A 12 3.020 5.751 4.549 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.486 7.542 4.857 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.785 6.530 3.715 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.249 8.337 4.022 1.00 0.00 C ATOM 153 CZ TYR A 12 3.399 7.827 3.454 1.00 0.00 C ATOM 154 OH TYR A 12 4.160 8.612 2.621 1.00 0.00 O ATOM 0 H TYR A 12 -0.020 3.430 7.381 1.00 0.00 H new ATOM 0 HA TYR A 12 1.394 3.595 4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.028 5.455 5.781 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.136 5.677 7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.330 4.737 4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.586 7.945 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.682 6.129 3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.946 9.353 3.815 1.00 0.00 H new ATOM 0 HH TYR A 12 5.096 8.582 2.909 1.00 0.00 H new ATOM 164 N ASN A 13 3.672 3.101 5.596 1.00 0.00 N ATOM 165 CA ASN A 13 5.068 2.872 5.909 1.00 0.00 C ATOM 166 C ASN A 13 5.927 3.931 5.226 1.00 0.00 C ATOM 167 O ASN A 13 5.697 4.267 4.065 1.00 0.00 O ATOM 168 CB ASN A 13 5.470 1.476 5.446 1.00 0.00 C ATOM 169 CG ASN A 13 6.075 0.647 6.559 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.392 -0.426 6.929 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 7.146 0.968 7.078 1.00 0.00 N flip ATOM 0 H ASN A 13 3.390 2.758 4.678 1.00 0.00 H new ATOM 0 HA ASN A 13 5.220 2.942 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.594 0.962 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.187 1.560 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.637 1.804 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.542 0.398 7.826 1.00 0.00 H new ATOM 178 N LYS A 14 6.900 4.468 5.951 1.00 0.00 N ATOM 179 CA LYS A 14 7.772 5.502 5.402 1.00 0.00 C ATOM 180 C LYS A 14 8.243 5.131 3.998 1.00 0.00 C ATOM 181 O LYS A 14 7.622 4.311 3.321 1.00 0.00 O ATOM 182 CB LYS A 14 8.977 5.719 6.320 1.00 0.00 C ATOM 183 CG LYS A 14 9.285 4.526 7.209 1.00 0.00 C ATOM 184 CD LYS A 14 8.617 4.656 8.568 1.00 0.00 C ATOM 185 CE LYS A 14 9.258 5.758 9.399 1.00 0.00 C ATOM 186 NZ LYS A 14 8.404 6.146 10.555 1.00 0.00 N ATOM 0 H LYS A 14 7.106 4.208 6.915 1.00 0.00 H new ATOM 0 HA LYS A 14 7.201 6.428 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.852 5.943 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.793 6.591 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.947 3.611 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.363 4.437 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.556 4.869 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.687 3.708 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.229 5.422 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.437 6.630 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.874 6.899 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.486 6.491 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.254 5.320 11.169 1.00 0.00 H new ATOM 200 N SER A 15 9.344 5.734 3.565 1.00 0.00 N ATOM 201 CA SER A 15 9.895 5.461 2.245 1.00 0.00 C ATOM 202 C SER A 15 10.436 4.039 2.180 1.00 0.00 C ATOM 203 O SER A 15 11.203 3.691 1.283 1.00 0.00 O ATOM 204 CB SER A 15 11.006 6.459 1.913 1.00 0.00 C ATOM 205 OG SER A 15 12.172 6.197 2.674 1.00 0.00 O ATOM 0 H SER A 15 9.872 6.415 4.110 1.00 0.00 H new ATOM 0 HA SER A 15 9.097 5.568 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.242 6.405 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.659 7.473 2.111 1.00 0.00 H new ATOM 0 HG SER A 15 12.867 6.848 2.442 1.00 0.00 H new ATOM 211 N ILE A 16 10.029 3.227 3.146 1.00 0.00 N ATOM 212 CA ILE A 16 10.464 1.844 3.224 1.00 0.00 C ATOM 213 C ILE A 16 10.505 1.184 1.846 1.00 0.00 C ATOM 214 O ILE A 16 11.557 0.720 1.406 1.00 0.00 O ATOM 215 CB ILE A 16 9.547 1.039 4.162 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.403 0.390 3.382 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.995 1.939 5.258 1.00 0.00 C ATOM 218 CD1 ILE A 16 7.572 -0.568 4.211 1.00 0.00 C ATOM 0 H ILE A 16 9.392 3.508 3.892 1.00 0.00 H new ATOM 0 HA ILE A 16 11.477 1.847 3.627 1.00 0.00 H new ATOM 0 HB ILE A 16 10.138 0.247 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.755 1.172 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.815 -0.146 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.348 1.358 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.820 2.355 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.422 2.750 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.780 -0.991 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.207 -1.371 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.130 -0.033 5.052 1.00 0.00 H new ATOM 230 N SER A 17 9.359 1.147 1.169 1.00 0.00 N ATOM 231 CA SER A 17 9.269 0.547 -0.156 1.00 0.00 C ATOM 232 C SER A 17 8.277 -0.612 -0.153 1.00 0.00 C ATOM 233 O SER A 17 8.094 -1.279 0.865 1.00 0.00 O ATOM 234 CB SER A 17 10.641 0.055 -0.619 1.00 0.00 C ATOM 235 OG SER A 17 10.556 -0.577 -1.886 1.00 0.00 O ATOM 0 H SER A 17 8.479 1.527 1.519 1.00 0.00 H new ATOM 0 HA SER A 17 8.917 1.311 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.333 0.896 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.046 -0.644 0.113 1.00 0.00 H new ATOM 0 HG SER A 17 10.873 -1.501 -1.812 1.00 0.00 H new ATOM 241 N ARG A 18 7.643 -0.846 -1.295 1.00 0.00 N ATOM 242 CA ARG A 18 6.677 -1.923 -1.418 1.00 0.00 C ATOM 243 C ARG A 18 7.324 -3.253 -1.058 1.00 0.00 C ATOM 244 O ARG A 18 6.642 -4.198 -0.653 1.00 0.00 O ATOM 245 CB ARG A 18 6.115 -1.976 -2.838 1.00 0.00 C ATOM 246 CG ARG A 18 6.987 -2.754 -3.810 1.00 0.00 C ATOM 247 CD ARG A 18 8.410 -2.220 -3.831 1.00 0.00 C ATOM 248 NE ARG A 18 8.644 -1.330 -4.964 1.00 0.00 N ATOM 249 CZ ARG A 18 8.510 -1.703 -6.234 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.147 -2.944 -6.527 1.00 0.00 N ATOM 251 NH2 ARG A 18 8.740 -0.835 -7.210 1.00 0.00 N ATOM 0 H ARG A 18 7.782 -0.303 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 18 5.856 -1.734 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.124 -2.428 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.991 -0.959 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.996 -3.807 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.560 -2.695 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.610 -1.685 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.110 -3.055 -3.875 1.00 0.00 H new ATOM 0 HE ARG A 18 8.926 -0.369 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.970 -3.614 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.045 -3.229 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.020 0.120 -6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.637 -1.123 -8.183 1.00 0.00 H new ATOM 265 N ASP A 19 8.648 -3.316 -1.183 1.00 0.00 N ATOM 266 CA ASP A 19 9.370 -4.534 -0.844 1.00 0.00 C ATOM 267 C ASP A 19 9.181 -4.816 0.632 1.00 0.00 C ATOM 268 O ASP A 19 8.932 -5.952 1.051 1.00 0.00 O ATOM 269 CB ASP A 19 10.859 -4.386 -1.169 1.00 0.00 C ATOM 270 CG ASP A 19 11.105 -4.111 -2.638 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.899 -2.956 -3.069 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.508 -5.048 -3.360 1.00 0.00 O ATOM 0 H ASP A 19 9.233 -2.548 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 19 8.979 -5.364 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.279 -3.574 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.383 -5.297 -0.880 1.00 0.00 H new ATOM 277 N LYS A 20 9.234 -3.750 1.409 1.00 0.00 N ATOM 278 CA LYS A 20 9.013 -3.851 2.833 1.00 0.00 C ATOM 279 C LYS A 20 7.540 -4.099 3.050 1.00 0.00 C ATOM 280 O LYS A 20 7.149 -4.979 3.815 1.00 0.00 O ATOM 281 CB LYS A 20 9.467 -2.578 3.546 1.00 0.00 C ATOM 282 CG LYS A 20 10.965 -2.345 3.453 1.00 0.00 C ATOM 283 CD LYS A 20 11.480 -1.533 4.629 1.00 0.00 C ATOM 284 CE LYS A 20 12.210 -0.287 4.160 1.00 0.00 C ATOM 285 NZ LYS A 20 13.681 -0.392 4.365 1.00 0.00 N ATOM 0 H LYS A 20 9.428 -2.806 1.075 1.00 0.00 H new ATOM 0 HA LYS A 20 9.597 -4.671 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.945 -1.723 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.178 -2.634 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.481 -3.304 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.196 -1.826 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.646 -1.249 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.151 -2.146 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.002 -0.121 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.830 0.581 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.141 0.479 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.882 -0.524 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.049 -1.204 3.830 1.00 0.00 H new ATOM 299 N ALA A 21 6.726 -3.354 2.310 1.00 0.00 N ATOM 300 CA ALA A 21 5.289 -3.526 2.370 1.00 0.00 C ATOM 301 C ALA A 21 4.996 -5.003 2.194 1.00 0.00 C ATOM 302 O ALA A 21 4.305 -5.627 3.005 1.00 0.00 O ATOM 303 CB ALA A 21 4.616 -2.706 1.283 1.00 0.00 C ATOM 0 H ALA A 21 7.041 -2.629 1.665 1.00 0.00 H new ATOM 0 HA ALA A 21 4.899 -3.180 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.536 -2.844 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.855 -1.652 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.973 -3.033 0.307 1.00 0.00 H new ATOM 309 N GLU A 22 5.594 -5.572 1.153 1.00 0.00 N ATOM 310 CA GLU A 22 5.460 -6.990 0.896 1.00 0.00 C ATOM 311 C GLU A 22 6.130 -7.742 2.028 1.00 0.00 C ATOM 312 O GLU A 22 5.601 -8.727 2.539 1.00 0.00 O ATOM 313 CB GLU A 22 6.095 -7.362 -0.445 1.00 0.00 C ATOM 314 CG GLU A 22 5.086 -7.537 -1.569 1.00 0.00 C ATOM 315 CD GLU A 22 5.724 -7.468 -2.942 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.669 -6.670 -3.117 1.00 0.00 O ATOM 317 OE2 GLU A 22 5.280 -8.211 -3.841 1.00 0.00 O ATOM 0 H GLU A 22 6.173 -5.070 0.479 1.00 0.00 H new ATOM 0 HA GLU A 22 4.405 -7.257 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.809 -6.588 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.658 -8.288 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.583 -8.497 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.321 -6.765 -1.489 1.00 0.00 H new ATOM 324 N LYS A 23 7.294 -7.243 2.434 1.00 0.00 N ATOM 325 CA LYS A 23 8.037 -7.846 3.530 1.00 0.00 C ATOM 326 C LYS A 23 7.148 -7.966 4.759 1.00 0.00 C ATOM 327 O LYS A 23 7.014 -9.042 5.340 1.00 0.00 O ATOM 328 CB LYS A 23 9.278 -7.015 3.857 1.00 0.00 C ATOM 329 CG LYS A 23 10.390 -7.816 4.514 1.00 0.00 C ATOM 330 CD LYS A 23 11.679 -7.744 3.710 1.00 0.00 C ATOM 331 CE LYS A 23 11.850 -6.384 3.054 1.00 0.00 C ATOM 332 NZ LYS A 23 13.261 -6.140 2.643 1.00 0.00 N ATOM 0 H LYS A 23 7.740 -6.424 2.020 1.00 0.00 H new ATOM 0 HA LYS A 23 8.358 -8.842 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.658 -6.567 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.993 -6.196 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.566 -7.437 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.080 -8.856 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.528 -7.944 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.676 -8.520 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.201 -6.318 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.533 -5.604 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.336 -5.202 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.878 -6.178 3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.555 -6.869 1.962 1.00 0.00 H new ATOM 346 N LEU A 24 6.524 -6.859 5.137 1.00 0.00 N ATOM 347 CA LEU A 24 5.621 -6.860 6.284 1.00 0.00 C ATOM 348 C LEU A 24 4.359 -7.647 5.954 1.00 0.00 C ATOM 349 O LEU A 24 3.873 -8.437 6.763 1.00 0.00 O ATOM 350 CB LEU A 24 5.224 -5.443 6.731 1.00 0.00 C ATOM 351 CG LEU A 24 6.110 -4.291 6.253 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.566 -4.719 6.148 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.594 -3.747 4.929 1.00 0.00 C ATOM 0 H LEU A 24 6.623 -5.956 4.673 1.00 0.00 H new ATOM 0 HA LEU A 24 6.162 -7.328 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.207 -5.252 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.203 -5.425 7.821 1.00 0.00 H new ATOM 0 HG LEU A 24 6.064 -3.492 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.169 -3.878 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.921 -5.046 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.653 -5.541 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.232 -2.928 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.605 -4.540 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.574 -3.383 5.058 1.00 0.00 H new ATOM 365 N LEU A 25 3.822 -7.400 4.759 1.00 0.00 N ATOM 366 CA LEU A 25 2.596 -8.057 4.317 1.00 0.00 C ATOM 367 C LEU A 25 2.772 -9.561 4.143 1.00 0.00 C ATOM 368 O LEU A 25 1.986 -10.349 4.669 1.00 0.00 O ATOM 369 CB LEU A 25 2.123 -7.435 3.008 1.00 0.00 C ATOM 370 CG LEU A 25 1.742 -5.957 3.093 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.406 -5.418 1.713 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.574 -5.758 4.047 1.00 0.00 C ATOM 0 H LEU A 25 4.218 -6.749 4.081 1.00 0.00 H new ATOM 0 HA LEU A 25 1.847 -7.908 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.911 -7.549 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.261 -7.996 2.648 1.00 0.00 H new ATOM 0 HG LEU A 25 2.596 -5.402 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.137 -4.365 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.272 -5.525 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.568 -5.978 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.318 -4.699 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.287 -6.324 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.852 -6.108 5.041 1.00 0.00 H new ATOM 384 N LEU A 26 3.793 -9.959 3.398 1.00 0.00 N ATOM 385 CA LEU A 26 4.041 -11.377 3.161 1.00 0.00 C ATOM 386 C LEU A 26 4.453 -12.085 4.446 1.00 0.00 C ATOM 387 O LEU A 26 4.173 -13.269 4.630 1.00 0.00 O ATOM 388 CB LEU A 26 5.069 -11.610 2.037 1.00 0.00 C ATOM 389 CG LEU A 26 6.443 -10.950 2.201 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.736 -10.656 3.658 1.00 0.00 C ATOM 391 CD2 LEU A 26 7.527 -11.839 1.611 1.00 0.00 C ATOM 0 H LEU A 26 4.458 -9.329 2.950 1.00 0.00 H new ATOM 0 HA LEU A 26 3.101 -11.813 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.220 -12.685 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.634 -11.258 1.102 1.00 0.00 H new ATOM 0 HG LEU A 26 6.432 -10.003 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.717 -10.188 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.976 -9.982 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.726 -11.586 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.498 -11.359 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.530 -12.800 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.331 -11.996 0.550 1.00 0.00 H new ATOM 403 N ASP A 27 5.109 -11.353 5.337 1.00 0.00 N ATOM 404 CA ASP A 27 5.546 -11.911 6.609 1.00 0.00 C ATOM 405 C ASP A 27 4.344 -12.251 7.476 1.00 0.00 C ATOM 406 O ASP A 27 4.283 -13.316 8.090 1.00 0.00 O ATOM 407 CB ASP A 27 6.461 -10.928 7.340 1.00 0.00 C ATOM 408 CG ASP A 27 6.198 -10.893 8.832 1.00 0.00 C ATOM 409 OD1 ASP A 27 6.181 -11.975 9.458 1.00 0.00 O ATOM 410 OD2 ASP A 27 6.008 -9.785 9.376 1.00 0.00 O ATOM 0 H ASP A 27 5.350 -10.371 5.202 1.00 0.00 H new ATOM 0 HA ASP A 27 6.106 -12.825 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.501 -11.204 7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.322 -9.929 6.926 1.00 0.00 H new ATOM 415 N THR A 28 3.388 -11.336 7.510 1.00 0.00 N ATOM 416 CA THR A 28 2.175 -11.521 8.289 1.00 0.00 C ATOM 417 C THR A 28 1.266 -12.545 7.627 1.00 0.00 C ATOM 418 O THR A 28 0.690 -13.406 8.292 1.00 0.00 O ATOM 419 CB THR A 28 1.438 -10.192 8.458 1.00 0.00 C ATOM 420 OG1 THR A 28 2.263 -9.108 8.070 1.00 0.00 O ATOM 421 CG2 THR A 28 0.982 -9.939 9.878 1.00 0.00 C ATOM 0 H THR A 28 3.430 -10.452 7.003 1.00 0.00 H new ATOM 0 HA THR A 28 2.456 -11.891 9.275 1.00 0.00 H new ATOM 0 HB THR A 28 0.558 -10.265 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.393 -9.127 7.099 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.466 -8.980 9.929 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.303 -10.733 10.189 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.847 -9.921 10.540 1.00 0.00 H new ATOM 429 N GLY A 29 1.146 -12.444 6.312 1.00 0.00 N ATOM 430 CA GLY A 29 0.312 -13.367 5.568 1.00 0.00 C ATOM 431 C GLY A 29 -1.158 -13.245 5.918 1.00 0.00 C ATOM 432 O GLY A 29 -1.878 -14.244 5.952 1.00 0.00 O ATOM 0 H GLY A 29 1.613 -11.737 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.443 -13.188 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.644 -14.387 5.763 1.00 0.00 H new ATOM 436 N LYS A 30 -1.610 -12.021 6.170 1.00 0.00 N ATOM 437 CA LYS A 30 -3.008 -11.781 6.509 1.00 0.00 C ATOM 438 C LYS A 30 -3.778 -11.311 5.288 1.00 0.00 C ATOM 439 O LYS A 30 -3.540 -10.214 4.783 1.00 0.00 O ATOM 440 CB LYS A 30 -3.129 -10.723 7.606 1.00 0.00 C ATOM 441 CG LYS A 30 -1.799 -10.338 8.233 1.00 0.00 C ATOM 442 CD LYS A 30 -1.450 -8.885 7.951 1.00 0.00 C ATOM 443 CE LYS A 30 -1.393 -8.066 9.230 1.00 0.00 C ATOM 444 NZ LYS A 30 -0.004 -7.642 9.558 1.00 0.00 N ATOM 0 H LYS A 30 -1.030 -11.182 6.146 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.426 -12.722 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.595 -9.831 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.794 -11.095 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.843 -10.500 9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.012 -10.984 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.488 -8.833 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.191 -8.456 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.026 -7.185 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.798 -8.653 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.284 -8.067 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.642 -7.956 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.033 -6.606 9.635 1.00 0.00 H new ATOM 458 N GLU A 31 -4.710 -12.128 4.816 1.00 0.00 N ATOM 459 CA GLU A 31 -5.500 -11.748 3.662 1.00 0.00 C ATOM 460 C GLU A 31 -6.015 -10.330 3.856 1.00 0.00 C ATOM 461 O GLU A 31 -6.671 -10.030 4.854 1.00 0.00 O ATOM 462 CB GLU A 31 -6.670 -12.713 3.468 1.00 0.00 C ATOM 463 CG GLU A 31 -7.475 -12.449 2.205 1.00 0.00 C ATOM 464 CD GLU A 31 -8.950 -12.246 2.485 1.00 0.00 C ATOM 465 OE1 GLU A 31 -9.338 -12.267 3.672 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.720 -12.068 1.517 1.00 0.00 O ATOM 0 H GLU A 31 -4.932 -13.043 5.209 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.875 -11.792 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.287 -13.733 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.332 -12.646 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.079 -11.565 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.351 -13.286 1.518 1.00 0.00 H new ATOM 473 N GLY A 32 -5.707 -9.456 2.909 1.00 0.00 N ATOM 474 CA GLY A 32 -6.139 -8.085 3.014 1.00 0.00 C ATOM 475 C GLY A 32 -5.172 -7.234 3.809 1.00 0.00 C ATOM 476 O GLY A 32 -5.536 -6.157 4.280 1.00 0.00 O ATOM 0 H GLY A 32 -5.166 -9.675 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.251 -7.665 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.121 -8.052 3.486 1.00 0.00 H new ATOM 480 N ALA A 33 -3.936 -7.703 3.958 1.00 0.00 N ATOM 481 CA ALA A 33 -2.941 -6.940 4.706 1.00 0.00 C ATOM 482 C ALA A 33 -2.395 -5.816 3.838 1.00 0.00 C ATOM 483 O ALA A 33 -1.826 -6.067 2.780 1.00 0.00 O ATOM 484 CB ALA A 33 -1.816 -7.853 5.172 1.00 0.00 C ATOM 0 H ALA A 33 -3.604 -8.590 3.579 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.413 -6.505 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.082 -7.271 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.223 -8.633 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.336 -8.310 4.307 1.00 0.00 H new ATOM 490 N PHE A 34 -2.592 -4.574 4.268 1.00 0.00 N ATOM 491 CA PHE A 34 -2.135 -3.440 3.481 1.00 0.00 C ATOM 492 C PHE A 34 -1.215 -2.484 4.224 1.00 0.00 C ATOM 493 O PHE A 34 -1.127 -2.477 5.452 1.00 0.00 O ATOM 494 CB PHE A 34 -3.325 -2.666 2.930 1.00 0.00 C ATOM 495 CG PHE A 34 -4.350 -2.309 3.965 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.056 -1.418 4.981 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.617 -2.849 3.904 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.008 -1.073 5.916 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.570 -2.512 4.838 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.268 -1.622 5.846 1.00 0.00 C ATOM 0 H PHE A 34 -3.057 -4.332 5.143 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.542 -3.871 2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.964 -1.751 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.802 -3.259 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.068 -0.987 5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.864 -3.544 3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.766 -0.373 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.557 -2.946 4.781 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.017 -1.357 6.578 1.00 0.00 H new ATOM 510 N MET A 35 -0.570 -1.646 3.423 1.00 0.00 N ATOM 511 CA MET A 35 0.333 -0.604 3.894 1.00 0.00 C ATOM 512 C MET A 35 0.412 0.470 2.809 1.00 0.00 C ATOM 513 O MET A 35 0.043 0.209 1.669 1.00 0.00 O ATOM 514 CB MET A 35 1.716 -1.179 4.205 1.00 0.00 C ATOM 515 CG MET A 35 2.722 -0.986 3.086 1.00 0.00 C ATOM 516 SD MET A 35 3.280 0.718 2.944 1.00 0.00 S ATOM 517 CE MET A 35 3.160 0.963 1.174 1.00 0.00 C ATOM 0 H MET A 35 -0.662 -1.672 2.407 1.00 0.00 H new ATOM 0 HA MET A 35 -0.042 -0.170 4.821 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.099 -0.710 5.111 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.618 -2.244 4.414 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.582 -1.633 3.260 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.274 -1.298 2.142 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.556 1.945 0.915 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.735 0.192 0.660 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.116 0.901 0.868 1.00 0.00 H new ATOM 527 N VAL A 36 0.859 1.678 3.135 1.00 0.00 N ATOM 528 CA VAL A 36 0.924 2.727 2.125 1.00 0.00 C ATOM 529 C VAL A 36 2.189 3.563 2.253 1.00 0.00 C ATOM 530 O VAL A 36 2.529 4.019 3.337 1.00 0.00 O ATOM 531 CB VAL A 36 -0.312 3.640 2.199 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.571 2.835 1.921 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.395 4.328 3.554 1.00 0.00 C ATOM 0 H VAL A 36 1.174 1.951 4.066 1.00 0.00 H new ATOM 0 HA VAL A 36 0.944 2.230 1.155 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.220 4.415 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.441 3.490 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.509 2.396 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.667 2.042 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.277 4.968 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.466 3.576 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.498 4.933 3.710 1.00 0.00 H new ATOM 543 N ARG A 37 2.886 3.754 1.134 1.00 0.00 N ATOM 544 CA ARG A 37 4.113 4.533 1.124 1.00 0.00 C ATOM 545 C ARG A 37 4.048 5.683 0.124 1.00 0.00 C ATOM 546 O ARG A 37 3.304 5.628 -0.858 1.00 0.00 O ATOM 547 CB ARG A 37 5.312 3.647 0.790 1.00 0.00 C ATOM 548 CG ARG A 37 5.553 2.538 1.793 1.00 0.00 C ATOM 549 CD ARG A 37 6.107 1.299 1.110 1.00 0.00 C ATOM 550 NE ARG A 37 6.943 1.646 -0.034 1.00 0.00 N ATOM 551 CZ ARG A 37 6.629 1.364 -1.294 1.00 0.00 C ATOM 552 NH1 ARG A 37 5.511 0.708 -1.572 1.00 0.00 N ATOM 553 NH2 ARG A 37 7.435 1.737 -2.279 1.00 0.00 N ATOM 0 H ARG A 37 2.618 3.378 0.225 1.00 0.00 H new ATOM 0 HA ARG A 37 4.231 4.950 2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.162 3.206 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.205 4.269 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.251 2.879 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.620 2.292 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.690 0.719 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.284 0.665 0.781 1.00 0.00 H new ATOM 0 HE ARG A 37 7.821 2.134 0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.889 0.418 -0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.273 0.493 -2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.297 2.241 -2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.193 1.520 -3.246 1.00 0.00 H new ATOM 567 N ASP A 38 4.857 6.711 0.370 1.00 0.00 N ATOM 568 CA ASP A 38 4.927 7.866 -0.521 1.00 0.00 C ATOM 569 C ASP A 38 5.996 7.639 -1.587 1.00 0.00 C ATOM 570 O ASP A 38 7.191 7.640 -1.288 1.00 0.00 O ATOM 571 CB ASP A 38 5.237 9.139 0.270 1.00 0.00 C ATOM 572 CG ASP A 38 6.447 8.979 1.170 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.411 8.108 2.065 1.00 0.00 O ATOM 574 OD2 ASP A 38 7.430 9.727 0.981 1.00 0.00 O ATOM 0 H ASP A 38 5.474 6.767 1.180 1.00 0.00 H new ATOM 0 HA ASP A 38 3.959 7.988 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.410 9.962 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.371 9.408 0.874 1.00 0.00 H new ATOM 579 N SER A 39 5.561 7.425 -2.822 1.00 0.00 N ATOM 580 CA SER A 39 6.482 7.173 -3.930 1.00 0.00 C ATOM 581 C SER A 39 7.385 8.374 -4.207 1.00 0.00 C ATOM 582 O SER A 39 7.000 9.522 -3.986 1.00 0.00 O ATOM 583 CB SER A 39 5.698 6.814 -5.193 1.00 0.00 C ATOM 584 OG SER A 39 6.557 6.301 -6.197 1.00 0.00 O ATOM 0 H SER A 39 4.575 7.420 -3.085 1.00 0.00 H new ATOM 0 HA SER A 39 7.119 6.337 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.933 6.076 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.182 7.698 -5.568 1.00 0.00 H new ATOM 0 HG SER A 39 6.997 5.490 -5.868 1.00 0.00 H new ATOM 590 N ARG A 40 8.588 8.091 -4.707 1.00 0.00 N ATOM 591 CA ARG A 40 9.558 9.129 -5.038 1.00 0.00 C ATOM 592 C ARG A 40 8.872 10.292 -5.738 1.00 0.00 C ATOM 593 O ARG A 40 9.395 11.405 -5.777 1.00 0.00 O ATOM 594 CB ARG A 40 10.665 8.561 -5.927 1.00 0.00 C ATOM 595 CG ARG A 40 10.349 7.185 -6.489 1.00 0.00 C ATOM 596 CD ARG A 40 10.896 6.082 -5.599 1.00 0.00 C ATOM 597 NE ARG A 40 11.309 6.584 -4.294 1.00 0.00 N ATOM 598 CZ ARG A 40 10.554 6.507 -3.202 1.00 0.00 C ATOM 599 NH1 ARG A 40 9.354 5.947 -3.263 1.00 0.00 N ATOM 600 NH2 ARG A 40 10.999 6.989 -2.050 1.00 0.00 N ATOM 0 H ARG A 40 8.914 7.142 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 40 10.004 9.491 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.845 9.249 -6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.589 8.506 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.270 7.071 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.774 7.092 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.135 5.313 -5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.746 5.608 -6.090 1.00 0.00 H new ATOM 0 HE ARG A 40 12.228 7.019 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.009 5.575 -4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.775 5.888 -2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.922 7.420 -2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.418 6.929 -1.214 1.00 0.00 H new ATOM 614 N THR A 41 7.686 10.024 -6.272 1.00 0.00 N ATOM 615 CA THR A 41 6.902 11.040 -6.949 1.00 0.00 C ATOM 616 C THR A 41 5.811 11.547 -6.015 1.00 0.00 C ATOM 617 O THR A 41 4.625 11.478 -6.330 1.00 0.00 O ATOM 618 CB THR A 41 6.282 10.471 -8.227 1.00 0.00 C ATOM 619 OG1 THR A 41 5.649 11.494 -8.975 1.00 0.00 O ATOM 620 CG2 THR A 41 5.255 9.389 -7.965 1.00 0.00 C ATOM 0 H THR A 41 7.247 9.104 -6.247 1.00 0.00 H new ATOM 0 HA THR A 41 7.554 11.869 -7.223 1.00 0.00 H new ATOM 0 HB THR A 41 7.112 10.033 -8.781 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.914 11.876 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.855 9.029 -8.913 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.725 8.562 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.444 9.796 -7.360 1.00 0.00 H new ATOM 628 N PRO A 42 6.215 12.050 -4.836 1.00 0.00 N ATOM 629 CA PRO A 42 5.303 12.561 -3.817 1.00 0.00 C ATOM 630 C PRO A 42 4.076 13.260 -4.387 1.00 0.00 C ATOM 631 O PRO A 42 3.877 14.459 -4.199 1.00 0.00 O ATOM 632 CB PRO A 42 6.191 13.527 -3.050 1.00 0.00 C ATOM 633 CG PRO A 42 7.528 12.866 -3.071 1.00 0.00 C ATOM 634 CD PRO A 42 7.619 12.146 -4.392 1.00 0.00 C ATOM 0 HA PRO A 42 4.872 11.765 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.221 14.508 -3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.834 13.677 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.327 13.601 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.631 12.169 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.228 12.698 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.072 11.161 -4.281 1.00 0.00 H new ATOM 642 N GLY A 43 3.246 12.478 -5.059 1.00 0.00 N ATOM 643 CA GLY A 43 2.018 12.983 -5.634 1.00 0.00 C ATOM 644 C GLY A 43 0.861 12.091 -5.251 1.00 0.00 C ATOM 645 O GLY A 43 -0.237 12.559 -4.951 1.00 0.00 O ATOM 0 H GLY A 43 3.406 11.483 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.835 13.999 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.108 13.030 -6.719 1.00 0.00 H new ATOM 649 N THR A 44 1.137 10.791 -5.245 1.00 0.00 N ATOM 650 CA THR A 44 0.166 9.789 -4.881 1.00 0.00 C ATOM 651 C THR A 44 0.759 8.854 -3.831 1.00 0.00 C ATOM 652 O THR A 44 1.978 8.735 -3.719 1.00 0.00 O ATOM 653 CB THR A 44 -0.250 9.001 -6.116 1.00 0.00 C ATOM 654 OG1 THR A 44 -0.396 7.625 -5.814 1.00 0.00 O ATOM 655 CG2 THR A 44 0.735 9.119 -7.259 1.00 0.00 C ATOM 0 H THR A 44 2.049 10.410 -5.496 1.00 0.00 H new ATOM 0 HA THR A 44 -0.715 10.275 -4.462 1.00 0.00 H new ATOM 0 HB THR A 44 -1.200 9.436 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.100 7.510 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.379 8.534 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.828 10.165 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.708 8.743 -6.941 1.00 0.00 H new ATOM 663 N TYR A 45 -0.100 8.196 -3.067 1.00 0.00 N ATOM 664 CA TYR A 45 0.361 7.277 -2.034 1.00 0.00 C ATOM 665 C TYR A 45 0.273 5.842 -2.527 1.00 0.00 C ATOM 666 O TYR A 45 -0.711 5.453 -3.147 1.00 0.00 O ATOM 667 CB TYR A 45 -0.462 7.453 -0.758 1.00 0.00 C ATOM 668 CG TYR A 45 -0.085 8.685 0.034 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.163 8.792 0.633 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.975 9.741 0.178 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.514 9.917 1.355 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.631 10.871 0.896 1.00 0.00 C ATOM 673 CZ TYR A 45 0.614 10.953 1.484 1.00 0.00 C ATOM 674 OH TYR A 45 0.960 12.076 2.199 1.00 0.00 O ATOM 0 H TYR A 45 -1.114 8.279 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 45 1.403 7.504 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.518 7.508 -1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.335 6.572 -0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.871 7.983 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.952 9.678 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.488 9.984 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.333 11.685 0.996 1.00 0.00 H new ATOM 0 HH TYR A 45 1.900 12.296 2.028 1.00 0.00 H new ATOM 684 N THR A 46 1.307 5.057 -2.255 1.00 0.00 N ATOM 685 CA THR A 46 1.326 3.669 -2.691 1.00 0.00 C ATOM 686 C THR A 46 0.896 2.748 -1.561 1.00 0.00 C ATOM 687 O THR A 46 1.518 2.720 -0.500 1.00 0.00 O ATOM 688 CB THR A 46 2.718 3.287 -3.185 1.00 0.00 C ATOM 689 OG1 THR A 46 2.646 2.690 -4.466 1.00 0.00 O ATOM 690 CG2 THR A 46 3.434 2.321 -2.267 1.00 0.00 C ATOM 0 H THR A 46 2.135 5.354 -1.740 1.00 0.00 H new ATOM 0 HA THR A 46 0.620 3.557 -3.514 1.00 0.00 H new ATOM 0 HB THR A 46 3.282 4.219 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.418 2.091 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.548 2.772 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.853 1.403 -2.181 1.00 0.00 H new ATOM 698 N VAL A 47 -0.182 2.006 -1.789 1.00 0.00 N ATOM 699 CA VAL A 47 -0.705 1.102 -0.784 1.00 0.00 C ATOM 700 C VAL A 47 -0.338 -0.354 -1.067 1.00 0.00 C ATOM 701 O VAL A 47 -0.694 -0.905 -2.110 1.00 0.00 O ATOM 702 CB VAL A 47 -2.241 1.208 -0.681 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.772 0.253 0.377 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.665 2.641 -0.388 1.00 0.00 C ATOM 0 H VAL A 47 -0.708 2.016 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.247 1.404 0.158 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.671 0.922 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.857 0.342 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.505 -0.770 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.335 0.502 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.752 2.692 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.226 2.964 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.321 3.294 -1.190 1.00 0.00 H new ATOM 714 N SER A 48 0.347 -0.973 -0.109 1.00 0.00 N ATOM 715 CA SER A 48 0.742 -2.373 -0.209 1.00 0.00 C ATOM 716 C SER A 48 -0.303 -3.244 0.486 1.00 0.00 C ATOM 717 O SER A 48 -0.494 -3.126 1.697 1.00 0.00 O ATOM 718 CB SER A 48 2.115 -2.594 0.446 1.00 0.00 C ATOM 719 OG SER A 48 1.973 -3.111 1.758 1.00 0.00 O ATOM 0 H SER A 48 0.643 -0.519 0.755 1.00 0.00 H new ATOM 0 HA SER A 48 0.811 -2.646 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.704 -3.283 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.662 -1.652 0.479 1.00 0.00 H new ATOM 0 HG SER A 48 1.116 -2.820 2.133 1.00 0.00 H new ATOM 725 N VAL A 49 -0.983 -4.101 -0.281 1.00 0.00 N ATOM 726 CA VAL A 49 -2.007 -4.979 0.277 1.00 0.00 C ATOM 727 C VAL A 49 -1.681 -6.448 0.019 1.00 0.00 C ATOM 728 O VAL A 49 -1.136 -6.801 -1.031 1.00 0.00 O ATOM 729 CB VAL A 49 -3.402 -4.650 -0.282 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.455 -4.725 0.821 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.400 -3.278 -0.934 1.00 0.00 C ATOM 0 H VAL A 49 -0.841 -4.203 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.017 -4.806 1.353 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.655 -5.390 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.435 -4.489 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.471 -5.731 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.212 -4.009 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.394 -3.059 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.127 -2.525 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.678 -3.264 -1.750 1.00 0.00 H new ATOM 741 N PHE A 50 -2.007 -7.298 0.990 1.00 0.00 N ATOM 742 CA PHE A 50 -1.732 -8.728 0.880 1.00 0.00 C ATOM 743 C PHE A 50 -2.982 -9.569 1.116 1.00 0.00 C ATOM 744 O PHE A 50 -3.667 -9.409 2.132 1.00 0.00 O ATOM 745 CB PHE A 50 -0.643 -9.136 1.872 1.00 0.00 C ATOM 746 CG PHE A 50 -0.565 -10.618 2.100 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.622 -11.299 2.683 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.565 -11.329 1.732 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.554 -12.663 2.893 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.639 -12.694 1.941 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.422 -13.361 2.522 1.00 0.00 C ATOM 0 H PHE A 50 -2.461 -7.022 1.860 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.390 -8.914 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.321 -8.781 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.826 -8.639 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.509 -10.757 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.397 -10.812 1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.385 -13.182 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.525 -13.238 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.366 -14.427 2.686 1.00 0.00 H new ATOM 761 N THR A 51 -3.257 -10.472 0.171 1.00 0.00 N ATOM 762 CA THR A 51 -4.404 -11.365 0.249 1.00 0.00 C ATOM 763 C THR A 51 -3.957 -12.812 0.444 1.00 0.00 C ATOM 764 O THR A 51 -2.977 -13.255 -0.155 1.00 0.00 O ATOM 765 CB THR A 51 -5.255 -11.253 -1.017 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.599 -11.613 -0.748 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.766 -12.127 -2.149 1.00 0.00 C ATOM 0 H THR A 51 -2.689 -10.600 -0.666 1.00 0.00 H new ATOM 0 HA THR A 51 -5.003 -11.067 1.110 1.00 0.00 H new ATOM 0 HB THR A 51 -5.176 -10.211 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.639 -12.557 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.415 -11.998 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.747 -11.843 -2.414 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.782 -13.171 -1.836 1.00 0.00 H new ATOM 775 N LYS A 52 -4.682 -13.542 1.285 1.00 0.00 N ATOM 776 CA LYS A 52 -4.361 -14.939 1.557 1.00 0.00 C ATOM 777 C LYS A 52 -5.366 -15.871 0.885 1.00 0.00 C ATOM 778 O LYS A 52 -6.557 -15.842 1.194 1.00 0.00 O ATOM 779 CB LYS A 52 -4.339 -15.194 3.065 1.00 0.00 C ATOM 780 CG LYS A 52 -5.614 -15.831 3.595 1.00 0.00 C ATOM 781 CD LYS A 52 -5.616 -17.336 3.379 1.00 0.00 C ATOM 782 CE LYS A 52 -6.890 -17.797 2.689 1.00 0.00 C ATOM 783 NZ LYS A 52 -7.254 -19.189 3.066 1.00 0.00 N ATOM 0 H LYS A 52 -5.495 -13.190 1.790 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.373 -15.145 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.494 -15.840 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.173 -14.249 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.715 -15.615 4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.477 -15.390 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.752 -17.620 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.517 -17.843 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.707 -17.125 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.760 -17.736 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.179 -19.429 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.534 -19.846 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.304 -19.266 4.102 1.00 0.00 H new ATOM 797 N ALA A 53 -4.877 -16.693 -0.038 1.00 0.00 N ATOM 798 CA ALA A 53 -5.728 -17.628 -0.757 1.00 0.00 C ATOM 799 C ALA A 53 -5.878 -18.938 0.010 1.00 0.00 C ATOM 800 O ALA A 53 -4.990 -19.328 0.771 1.00 0.00 O ATOM 801 CB ALA A 53 -5.169 -17.890 -2.147 1.00 0.00 C ATOM 0 H ALA A 53 -3.893 -16.729 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.716 -17.179 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.816 -18.592 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.121 -16.953 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.168 -18.313 -2.063 1.00 0.00 H new ATOM 807 N ILE A 54 -7.004 -19.613 -0.194 1.00 0.00 N ATOM 808 CA ILE A 54 -7.268 -20.880 0.478 1.00 0.00 C ATOM 809 C ILE A 54 -6.015 -21.747 0.527 1.00 0.00 C ATOM 810 O ILE A 54 -5.585 -22.174 1.599 1.00 0.00 O ATOM 811 CB ILE A 54 -8.395 -21.664 -0.221 1.00 0.00 C ATOM 812 CG1 ILE A 54 -9.289 -22.347 0.814 1.00 0.00 C ATOM 813 CG2 ILE A 54 -7.811 -22.687 -1.183 1.00 0.00 C ATOM 814 CD1 ILE A 54 -8.581 -23.417 1.614 1.00 0.00 C ATOM 0 H ILE A 54 -7.748 -19.304 -0.819 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.581 -20.640 1.494 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.004 -20.964 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.680 -21.593 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.145 -22.792 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.620 -23.233 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.213 -22.177 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.181 -23.386 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.277 -23.858 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.213 -24.191 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.742 -22.975 2.151 1.00 0.00 H new ATOM 826 N ILE A 55 -5.433 -22.003 -0.639 1.00 0.00 N ATOM 827 CA ILE A 55 -4.227 -22.819 -0.729 1.00 0.00 C ATOM 828 C ILE A 55 -3.833 -23.060 -2.181 1.00 0.00 C ATOM 829 O ILE A 55 -2.661 -23.269 -2.491 1.00 0.00 O ATOM 830 CB ILE A 55 -4.413 -24.177 -0.027 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.064 -24.725 0.439 1.00 0.00 C ATOM 832 CG2 ILE A 55 -5.100 -25.166 -0.957 1.00 0.00 C ATOM 833 CD1 ILE A 55 -2.218 -23.705 1.170 1.00 0.00 C ATOM 0 H ILE A 55 -5.776 -21.658 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.433 -22.265 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.046 -24.032 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.235 -25.580 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.511 -25.091 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.224 -26.121 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.078 -24.778 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.491 -25.309 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.276 -24.163 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.017 -22.860 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.751 -23.357 2.054 1.00 0.00 H new ATOM 845 N SER A 56 -4.821 -23.027 -3.065 1.00 0.00 N ATOM 846 CA SER A 56 -4.581 -23.240 -4.487 1.00 0.00 C ATOM 847 C SER A 56 -4.220 -21.930 -5.179 1.00 0.00 C ATOM 848 O SER A 56 -3.316 -21.886 -6.015 1.00 0.00 O ATOM 849 CB SER A 56 -5.817 -23.855 -5.148 1.00 0.00 C ATOM 850 OG SER A 56 -5.601 -24.072 -6.532 1.00 0.00 O ATOM 0 H SER A 56 -5.797 -22.855 -2.823 1.00 0.00 H new ATOM 0 HA SER A 56 -3.742 -23.928 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.061 -24.800 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.673 -23.195 -5.010 1.00 0.00 H new ATOM 0 HG SER A 56 -6.405 -24.467 -6.931 1.00 0.00 H new ATOM 856 N GLU A 57 -4.931 -20.865 -4.824 1.00 0.00 N ATOM 857 CA GLU A 57 -4.687 -19.554 -5.408 1.00 0.00 C ATOM 858 C GLU A 57 -3.460 -18.900 -4.783 1.00 0.00 C ATOM 859 O GLU A 57 -2.802 -18.066 -5.406 1.00 0.00 O ATOM 860 CB GLU A 57 -5.909 -18.654 -5.223 1.00 0.00 C ATOM 861 CG GLU A 57 -5.574 -17.172 -5.191 1.00 0.00 C ATOM 862 CD GLU A 57 -6.787 -16.306 -4.908 1.00 0.00 C ATOM 863 OE1 GLU A 57 -7.727 -16.799 -4.250 1.00 0.00 O ATOM 864 OE2 GLU A 57 -6.796 -15.136 -5.347 1.00 0.00 O ATOM 0 H GLU A 57 -5.682 -20.886 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.502 -19.688 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.614 -18.841 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.412 -18.924 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.817 -16.991 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.139 -16.881 -6.147 1.00 0.00 H new ATOM 871 N ASN A 58 -3.157 -19.283 -3.547 1.00 0.00 N ATOM 872 CA ASN A 58 -2.010 -18.733 -2.835 1.00 0.00 C ATOM 873 C ASN A 58 -2.283 -17.300 -2.390 1.00 0.00 C ATOM 874 O ASN A 58 -3.023 -16.566 -3.044 1.00 0.00 O ATOM 875 CB ASN A 58 -0.764 -18.776 -3.723 1.00 0.00 C ATOM 876 CG ASN A 58 0.094 -19.997 -3.459 1.00 0.00 C ATOM 877 OD1 ASN A 58 1.032 -19.871 -2.528 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 -0.086 -21.042 -4.084 1.00 0.00 N flip ATOM 0 H ASN A 58 -3.690 -19.973 -3.018 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.837 -19.343 -1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.067 -18.768 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.172 -17.876 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.819 -21.093 -4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.498 -21.857 -3.895 1.00 0.00 H new ATOM 885 N PRO A 59 -1.683 -16.886 -1.265 1.00 0.00 N ATOM 886 CA PRO A 59 -1.858 -15.533 -0.725 1.00 0.00 C ATOM 887 C PRO A 59 -1.288 -14.466 -1.652 1.00 0.00 C ATOM 888 O PRO A 59 -0.099 -14.152 -1.597 1.00 0.00 O ATOM 889 CB PRO A 59 -1.081 -15.566 0.594 1.00 0.00 C ATOM 890 CG PRO A 59 -0.108 -16.685 0.441 1.00 0.00 C ATOM 891 CD PRO A 59 -0.784 -17.703 -0.433 1.00 0.00 C ATOM 0 HA PRO A 59 -2.911 -15.277 -0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.570 -14.620 0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.747 -15.735 1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.820 -16.336 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.151 -17.112 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.065 -18.255 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.335 -18.437 0.155 1.00 0.00 H new ATOM 899 N CYS A 60 -2.143 -13.912 -2.505 1.00 0.00 N ATOM 900 CA CYS A 60 -1.722 -12.881 -3.446 1.00 0.00 C ATOM 901 C CYS A 60 -1.680 -11.514 -2.772 1.00 0.00 C ATOM 902 O CYS A 60 -2.707 -10.978 -2.363 1.00 0.00 O ATOM 903 CB CYS A 60 -2.667 -12.841 -4.648 1.00 0.00 C ATOM 904 SG CYS A 60 -3.376 -11.210 -4.975 1.00 0.00 S ATOM 0 H CYS A 60 -3.131 -14.160 -2.564 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.718 -13.127 -3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.126 -13.174 -5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.477 -13.551 -4.484 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.182 -10.438 -3.947 1.00 0.00 H new ATOM 910 N ILE A 61 -0.481 -10.954 -2.666 1.00 0.00 N ATOM 911 CA ILE A 61 -0.297 -9.647 -2.048 1.00 0.00 C ATOM 912 C ILE A 61 0.087 -8.609 -3.094 1.00 0.00 C ATOM 913 O ILE A 61 1.010 -8.823 -3.880 1.00 0.00 O ATOM 914 CB ILE A 61 0.782 -9.704 -0.950 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.340 -8.309 -0.669 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.897 -10.654 -1.354 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.391 -8.294 0.417 1.00 0.00 C ATOM 0 H ILE A 61 0.380 -11.386 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.244 -9.358 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 61 0.323 -10.078 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.769 -7.905 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.522 -7.649 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.652 -10.684 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.488 -11.653 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.352 -10.307 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.745 -7.274 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.960 -8.668 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.227 -8.929 0.123 1.00 0.00 H new ATOM 929 N LYS A 62 -0.632 -7.488 -3.115 1.00 0.00 N ATOM 930 CA LYS A 62 -0.357 -6.437 -4.090 1.00 0.00 C ATOM 931 C LYS A 62 -0.554 -5.042 -3.503 1.00 0.00 C ATOM 932 O LYS A 62 -1.275 -4.856 -2.521 1.00 0.00 O ATOM 933 CB LYS A 62 -1.257 -6.613 -5.316 1.00 0.00 C ATOM 934 CG LYS A 62 -1.027 -5.566 -6.393 1.00 0.00 C ATOM 935 CD LYS A 62 -2.074 -4.464 -6.330 1.00 0.00 C ATOM 936 CE LYS A 62 -3.478 -5.022 -6.498 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.461 -3.956 -6.842 1.00 0.00 N ATOM 0 H LYS A 62 -1.401 -7.286 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 62 0.689 -6.528 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.089 -7.603 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.299 -6.575 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.034 -5.133 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.054 -6.040 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.000 -3.944 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.878 -3.728 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.476 -5.781 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.785 -5.516 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.409 -4.374 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.469 -3.236 -6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.192 -3.513 -7.744 1.00 0.00 H new ATOM 951 N HIS A 63 0.097 -4.064 -4.124 1.00 0.00 N ATOM 952 CA HIS A 63 0.006 -2.674 -3.696 1.00 0.00 C ATOM 953 C HIS A 63 -0.559 -1.802 -4.815 1.00 0.00 C ATOM 954 O HIS A 63 -0.433 -2.137 -5.993 1.00 0.00 O ATOM 955 CB HIS A 63 1.385 -2.157 -3.281 1.00 0.00 C ATOM 956 CG HIS A 63 2.363 -3.247 -2.973 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.559 -3.416 -3.632 1.00 0.00 N ATOM 958 CD2 HIS A 63 2.300 -4.242 -2.050 1.00 0.00 C ATOM 959 CE1 HIS A 63 4.173 -4.483 -3.104 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.452 -5.019 -2.140 1.00 0.00 N ATOM 0 H HIS A 63 0.699 -4.212 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.667 -2.623 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.787 -1.535 -4.081 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.276 -1.519 -2.404 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.915 -2.832 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.487 -4.404 -1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.134 -4.856 -3.426 1.00 0.00 H new ATOM 968 N TYR A 64 -1.165 -0.677 -4.449 1.00 0.00 N ATOM 969 CA TYR A 64 -1.725 0.240 -5.440 1.00 0.00 C ATOM 970 C TYR A 64 -1.378 1.684 -5.099 1.00 0.00 C ATOM 971 O TYR A 64 -1.428 2.086 -3.936 1.00 0.00 O ATOM 972 CB TYR A 64 -3.247 0.094 -5.543 1.00 0.00 C ATOM 973 CG TYR A 64 -3.836 -0.964 -4.640 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.623 -2.312 -4.893 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.613 -0.615 -3.543 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.168 -3.285 -4.075 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.158 -1.579 -2.721 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.935 -2.912 -2.991 1.00 0.00 C ATOM 979 OH TYR A 64 -5.478 -3.876 -2.174 1.00 0.00 O ATOM 0 H TYR A 64 -1.281 -0.378 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.284 -0.020 -6.402 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.708 1.053 -5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.508 -0.140 -6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.023 -2.606 -5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.793 0.428 -3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.994 -4.330 -4.284 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.757 -1.291 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.387 -3.614 -1.918 1.00 0.00 H new ATOM 989 N HIS A 65 -1.036 2.463 -6.119 1.00 0.00 N ATOM 990 CA HIS A 65 -0.695 3.864 -5.918 1.00 0.00 C ATOM 991 C HIS A 65 -1.953 4.717 -5.888 1.00 0.00 C ATOM 992 O HIS A 65 -2.703 4.774 -6.863 1.00 0.00 O ATOM 993 CB HIS A 65 0.250 4.363 -7.013 1.00 0.00 C ATOM 994 CG HIS A 65 1.245 5.362 -6.514 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.898 5.419 -5.326 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 1.673 6.457 -7.233 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 2.724 6.539 -5.309 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 2.552 7.127 -6.476 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.988 2.149 -7.088 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.184 3.950 -4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.780 3.513 -7.443 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.336 4.811 -7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.356 6.727 -8.230 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.371 6.860 -4.506 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.027 7.982 -6.765 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.181 5.377 -4.761 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.355 6.226 -4.600 1.00 0.00 C ATOM 1008 C ILE A 66 -3.227 7.493 -5.438 1.00 0.00 C ATOM 1009 O ILE A 66 -2.330 8.306 -5.223 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.582 6.605 -3.124 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.670 5.344 -2.261 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.844 7.441 -2.980 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.621 4.054 -3.055 1.00 0.00 C ATOM 0 H ILE A 66 -1.570 5.342 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.215 5.652 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.735 7.200 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.850 5.349 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.596 5.372 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.991 7.701 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.746 8.353 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.701 6.870 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.688 3.205 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.456 4.025 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.683 4.002 -3.608 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.131 7.646 -6.399 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.122 8.804 -7.284 1.00 0.00 C ATOM 1027 C LYS A 67 -4.871 9.976 -6.662 1.00 0.00 C ATOM 1028 O LYS A 67 -5.936 9.805 -6.080 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.762 8.437 -8.623 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.330 7.080 -9.152 1.00 0.00 C ATOM 1031 CD LYS A 67 -3.072 7.188 -9.993 1.00 0.00 C ATOM 1032 CE LYS A 67 -2.924 5.998 -10.928 1.00 0.00 C ATOM 1033 NZ LYS A 67 -4.013 5.949 -11.943 1.00 0.00 N ATOM 0 H LYS A 67 -4.881 6.980 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.086 9.104 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.846 8.446 -8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.510 9.201 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.154 6.402 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.133 6.648 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.100 8.109 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.201 7.250 -9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.959 6.051 -11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.929 5.076 -10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.689 5.416 -12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.847 5.481 -11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.265 6.917 -12.229 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.302 11.168 -6.792 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.913 12.372 -6.240 1.00 0.00 C ATOM 1049 C GLU A 68 -5.561 13.208 -7.342 1.00 0.00 C ATOM 1050 O GLU A 68 -5.092 13.216 -8.480 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.855 13.196 -5.504 1.00 0.00 C ATOM 1052 CG GLU A 68 -4.127 13.347 -4.017 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.922 12.998 -3.165 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -2.489 11.827 -3.203 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.412 13.894 -2.461 1.00 0.00 O ATOM 0 H GLU A 68 -3.418 11.327 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.692 12.076 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.881 12.726 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.798 14.186 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.429 14.373 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.963 12.706 -3.737 1.00 0.00 H new ATOM 1062 N THR A 69 -6.639 13.911 -7.000 1.00 0.00 N ATOM 1063 CA THR A 69 -7.338 14.745 -7.970 1.00 0.00 C ATOM 1064 C THR A 69 -7.508 16.169 -7.451 1.00 0.00 C ATOM 1065 O THR A 69 -6.607 16.726 -6.827 1.00 0.00 O ATOM 1066 CB THR A 69 -8.705 14.142 -8.301 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.724 14.758 -7.535 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.779 12.651 -8.049 1.00 0.00 C ATOM 0 H THR A 69 -7.044 13.919 -6.064 1.00 0.00 H new ATOM 0 HA THR A 69 -6.735 14.782 -8.877 1.00 0.00 H new ATOM 0 HB THR A 69 -8.849 14.322 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.974 14.171 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.775 12.288 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.038 12.141 -8.664 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.578 12.449 -6.997 1.00 0.00 H new ATOM 1076 N ASN A 70 -8.674 16.753 -7.710 1.00 0.00 N ATOM 1077 CA ASN A 70 -8.969 18.110 -7.262 1.00 0.00 C ATOM 1078 C ASN A 70 -9.969 18.072 -6.114 1.00 0.00 C ATOM 1079 O ASN A 70 -9.996 18.959 -5.262 1.00 0.00 O ATOM 1080 CB ASN A 70 -9.523 18.947 -8.417 1.00 0.00 C ATOM 1081 CG ASN A 70 -10.462 18.154 -9.306 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -11.547 17.656 -8.727 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -10.212 17.993 -10.501 1.00 0.00 N flip ATOM 0 H ASN A 70 -9.431 16.307 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.045 18.572 -6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.051 19.812 -8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.696 19.328 -9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.365 18.395 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.852 17.458 -11.088 1.00 0.00 H new ATOM 1090 N ASP A 71 -10.776 17.017 -6.105 1.00 0.00 N ATOM 1091 CA ASP A 71 -11.781 16.815 -5.073 1.00 0.00 C ATOM 1092 C ASP A 71 -13.188 16.829 -5.647 1.00 0.00 C ATOM 1093 O ASP A 71 -13.692 17.867 -6.072 1.00 0.00 O ATOM 1094 CB ASP A 71 -11.672 17.871 -3.980 1.00 0.00 C ATOM 1095 CG ASP A 71 -12.176 19.228 -4.432 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -12.252 19.456 -5.659 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -12.495 20.064 -3.561 1.00 0.00 O ATOM 0 H ASP A 71 -10.751 16.281 -6.811 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.590 15.833 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.241 17.547 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.632 17.959 -3.667 1.00 0.00 H new ATOM 1102 N SER A 72 -13.826 15.666 -5.628 1.00 0.00 N ATOM 1103 CA SER A 72 -15.187 15.535 -6.116 1.00 0.00 C ATOM 1104 C SER A 72 -16.207 15.425 -4.974 1.00 0.00 C ATOM 1105 O SER A 72 -17.328 14.969 -5.195 1.00 0.00 O ATOM 1106 CB SER A 72 -15.301 14.312 -7.027 1.00 0.00 C ATOM 1107 OG SER A 72 -16.465 13.560 -6.731 1.00 0.00 O ATOM 0 H SER A 72 -13.419 14.799 -5.278 1.00 0.00 H new ATOM 0 HA SER A 72 -15.417 16.441 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.327 14.632 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.419 13.683 -6.908 1.00 0.00 H new ATOM 0 HG SER A 72 -17.227 14.166 -6.623 1.00 0.00 H new ATOM 1113 N PRO A 73 -15.850 15.826 -3.733 1.00 0.00 N ATOM 1114 CA PRO A 73 -14.532 16.377 -3.391 1.00 0.00 C ATOM 1115 C PRO A 73 -13.442 15.312 -3.300 1.00 0.00 C ATOM 1116 O PRO A 73 -12.354 15.570 -2.786 1.00 0.00 O ATOM 1117 CB PRO A 73 -14.768 17.010 -2.020 1.00 0.00 C ATOM 1118 CG PRO A 73 -15.850 16.189 -1.417 1.00 0.00 C ATOM 1119 CD PRO A 73 -16.739 15.770 -2.556 1.00 0.00 C ATOM 0 HA PRO A 73 -14.176 17.070 -4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.865 16.987 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.065 18.055 -2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.439 15.320 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.408 16.763 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.139 14.768 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.592 16.440 -2.666 1.00 0.00 H new ATOM 1127 N LYS A 74 -13.733 14.119 -3.812 1.00 0.00 N ATOM 1128 CA LYS A 74 -12.764 13.028 -3.797 1.00 0.00 C ATOM 1129 C LYS A 74 -11.387 13.535 -4.223 1.00 0.00 C ATOM 1130 O LYS A 74 -11.252 14.189 -5.255 1.00 0.00 O ATOM 1131 CB LYS A 74 -13.220 11.909 -4.731 1.00 0.00 C ATOM 1132 CG LYS A 74 -14.620 11.395 -4.430 1.00 0.00 C ATOM 1133 CD LYS A 74 -14.891 11.368 -2.934 1.00 0.00 C ATOM 1134 CE LYS A 74 -16.065 10.462 -2.600 1.00 0.00 C ATOM 1135 NZ LYS A 74 -16.319 10.400 -1.133 1.00 0.00 N ATOM 0 H LYS A 74 -14.628 13.884 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.695 12.637 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.188 12.270 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.515 11.080 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.356 12.030 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.737 10.392 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.001 11.022 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.097 12.379 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.959 10.824 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.868 9.458 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.127 9.772 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.475 10.031 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.532 11.354 -0.777 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.373 13.248 -3.413 1.00 0.00 N ATOM 1150 CA ARG A 75 -9.019 13.700 -3.698 1.00 0.00 C ATOM 1151 C ARG A 75 -8.129 12.577 -4.227 1.00 0.00 C ATOM 1152 O ARG A 75 -7.626 12.656 -5.348 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.399 14.311 -2.441 1.00 0.00 C ATOM 1154 CG ARG A 75 -8.672 15.795 -2.300 1.00 0.00 C ATOM 1155 CD ARG A 75 -8.192 16.543 -3.524 1.00 0.00 C ATOM 1156 NE ARG A 75 -7.215 15.759 -4.273 1.00 0.00 N ATOM 1157 CZ ARG A 75 -6.036 16.232 -4.660 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -5.693 17.483 -4.376 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -5.200 15.459 -5.332 1.00 0.00 N ATOM 0 H ARG A 75 -10.465 12.705 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.087 14.454 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.786 13.792 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.322 14.147 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.740 15.962 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.171 16.180 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.041 16.779 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.747 17.491 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.450 14.796 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.336 18.083 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.787 17.844 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.460 14.498 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.295 15.824 -5.629 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.922 11.542 -3.419 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.076 10.427 -3.820 1.00 0.00 C ATOM 1175 C TYR A 76 -7.901 9.250 -4.300 1.00 0.00 C ATOM 1176 O TYR A 76 -9.065 9.113 -3.943 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.182 9.973 -2.669 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.176 10.898 -1.485 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.439 12.249 -1.631 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.909 10.409 -0.217 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.435 13.096 -0.541 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.903 11.242 0.882 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.169 12.587 0.716 1.00 0.00 C ATOM 1184 OH TYR A 76 -6.165 13.426 1.808 1.00 0.00 O ATOM 0 H TYR A 76 -8.327 11.453 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.454 10.782 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.506 8.985 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.162 9.868 -3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.651 12.647 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.702 9.357 -0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.638 14.149 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.692 10.846 1.864 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.074 13.499 2.168 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.286 8.398 -5.105 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.974 7.225 -5.621 1.00 0.00 C ATOM 1196 C TYR A 77 -7.006 6.137 -6.052 1.00 0.00 C ATOM 1197 O TYR A 77 -6.025 6.403 -6.745 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.848 7.601 -6.820 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.100 8.315 -7.925 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.631 9.611 -7.742 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.873 7.702 -9.157 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.955 10.274 -8.749 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.198 8.362 -10.168 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.742 9.647 -9.960 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.072 10.307 -10.963 1.00 0.00 O ATOM 0 H TYR A 77 -6.319 8.495 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.590 6.842 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.299 6.696 -7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.664 8.237 -6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.798 10.108 -6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.230 6.696 -9.324 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.595 11.279 -8.589 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.029 7.873 -11.116 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.005 9.726 -11.749 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.331 4.901 -5.705 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.532 3.770 -6.131 1.00 0.00 C ATOM 1217 C VAL A 78 -7.389 2.963 -7.093 1.00 0.00 C ATOM 1218 O VAL A 78 -7.596 1.759 -6.949 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.063 2.907 -4.933 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -6.561 3.499 -3.625 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.517 1.463 -5.077 1.00 0.00 C ATOM 0 H VAL A 78 -8.140 4.660 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.620 4.115 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.973 2.911 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.223 2.881 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.168 4.509 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.650 3.533 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.171 0.886 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.605 1.427 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.100 1.040 -5.991 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.894 3.692 -8.078 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.758 3.148 -9.112 1.00 0.00 C ATOM 1233 C ALA A 79 -9.218 4.278 -10.028 1.00 0.00 C ATOM 1234 O ALA A 79 -9.149 5.446 -9.656 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.947 2.435 -8.491 1.00 0.00 C ATOM 0 H ALA A 79 -7.712 4.690 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.204 2.417 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.583 2.034 -9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.593 1.619 -7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.519 3.139 -7.887 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.682 3.939 -11.218 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.136 4.949 -12.165 1.00 0.00 C ATOM 1243 C GLU A 80 -11.632 5.189 -12.044 1.00 0.00 C ATOM 1244 O GLU A 80 -12.403 4.930 -12.968 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.770 4.553 -13.593 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.523 5.741 -14.509 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.061 5.893 -14.883 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.377 4.860 -15.037 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.603 7.047 -15.022 1.00 0.00 O ATOM 0 H GLU A 80 -9.755 2.978 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.628 5.882 -11.923 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.876 3.930 -13.571 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.573 3.944 -14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.116 5.626 -15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.865 6.652 -14.018 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.018 5.697 -10.888 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.409 6.002 -10.593 1.00 0.00 C ATOM 1258 C LYS A 81 -13.595 6.096 -9.086 1.00 0.00 C ATOM 1259 O LYS A 81 -14.457 6.821 -8.588 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.331 4.940 -11.193 1.00 0.00 C ATOM 1261 CG LYS A 81 -15.688 4.857 -10.520 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.797 3.608 -9.668 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.887 3.685 -8.461 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.418 4.611 -7.423 1.00 0.00 N ATOM 0 H LYS A 81 -11.376 5.911 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.672 6.960 -11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.474 5.153 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.842 3.968 -11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.845 5.739 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.473 4.855 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.828 3.477 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.539 2.734 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.767 2.690 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.897 4.019 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.044 4.339 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.125 5.584 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.457 4.557 -7.408 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.750 5.366 -8.369 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.767 5.353 -6.912 1.00 0.00 C ATOM 1280 C TYR A 82 -11.858 6.453 -6.374 1.00 0.00 C ATOM 1281 O TYR A 82 -10.677 6.220 -6.122 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.292 3.997 -6.376 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.841 2.800 -7.123 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.519 2.568 -8.458 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.679 1.893 -6.486 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.020 1.472 -9.133 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -14.182 0.792 -7.156 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.850 0.587 -8.477 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.349 -0.506 -9.147 1.00 0.00 O ATOM 0 H TYR A 82 -12.034 4.767 -8.781 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.791 5.525 -6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.203 3.966 -6.416 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.575 3.916 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.867 3.257 -8.974 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.942 2.050 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.763 1.309 -10.169 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.832 0.097 -6.646 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.916 -1.030 -8.543 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.407 7.649 -6.199 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.635 8.770 -5.696 1.00 0.00 C ATOM 1301 C VAL A 83 -12.118 9.177 -4.318 1.00 0.00 C ATOM 1302 O VAL A 83 -13.319 9.257 -4.063 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.708 9.979 -6.650 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.502 10.000 -7.575 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.001 9.950 -7.450 1.00 0.00 C ATOM 0 H VAL A 83 -13.384 7.864 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.596 8.446 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.697 10.891 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.570 10.860 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.590 10.071 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.480 9.084 -8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.035 10.811 -8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.045 9.033 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.851 9.985 -6.769 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.170 9.426 -3.433 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.486 9.820 -2.074 1.00 0.00 C ATOM 1317 C PHE A 84 -10.429 10.773 -1.526 1.00 0.00 C ATOM 1318 O PHE A 84 -9.240 10.618 -1.806 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.586 8.584 -1.184 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.632 7.293 -1.951 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.687 7.018 -2.926 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -12.617 6.355 -1.697 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.722 5.832 -3.633 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -12.658 5.166 -2.400 1.00 0.00 C ATOM 1325 CZ PHE A 84 -11.710 4.904 -3.370 1.00 0.00 C ATOM 0 H PHE A 84 -10.172 9.362 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.445 10.338 -2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.732 8.564 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.481 8.662 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.912 7.741 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.362 6.554 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.978 5.631 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.431 4.442 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.742 3.976 -3.921 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.860 11.749 -0.739 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.942 12.707 -0.149 1.00 0.00 C ATOM 1337 C ASP A 85 -9.293 12.143 1.104 1.00 0.00 C ATOM 1338 O ASP A 85 -8.827 12.888 1.965 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.658 14.021 0.168 1.00 0.00 C ATOM 1340 CG ASP A 85 -9.788 14.980 0.955 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -8.560 14.990 0.728 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.333 15.720 1.801 1.00 0.00 O ATOM 0 H ASP A 85 -11.840 11.896 -0.496 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.157 12.907 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.967 14.496 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.565 13.810 0.735 1.00 0.00 H new ATOM 1347 N SER A 86 -9.274 10.824 1.203 1.00 0.00 N ATOM 1348 CA SER A 86 -8.689 10.160 2.355 1.00 0.00 C ATOM 1349 C SER A 86 -8.252 8.749 2.000 1.00 0.00 C ATOM 1350 O SER A 86 -9.073 7.897 1.651 1.00 0.00 O ATOM 1351 CB SER A 86 -9.687 10.125 3.515 1.00 0.00 C ATOM 1352 OG SER A 86 -10.978 10.526 3.090 1.00 0.00 O ATOM 0 H SER A 86 -9.657 10.192 0.499 1.00 0.00 H new ATOM 0 HA SER A 86 -7.810 10.727 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.734 9.117 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.344 10.782 4.314 1.00 0.00 H new ATOM 0 HG SER A 86 -11.593 10.509 3.852 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.954 8.501 2.096 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.420 7.192 1.788 1.00 0.00 C ATOM 1360 C ILE A 87 -7.062 6.144 2.688 1.00 0.00 C ATOM 1361 O ILE A 87 -7.437 5.061 2.236 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.892 7.152 1.955 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.266 8.470 1.491 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.307 5.989 1.172 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.670 8.399 0.103 1.00 0.00 C ATOM 0 H ILE A 87 -6.258 9.189 2.384 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.652 6.974 0.746 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.664 7.014 3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.026 9.251 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.489 8.762 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.225 5.973 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.730 5.054 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.546 6.105 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.245 9.367 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.887 7.641 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.448 8.137 -0.614 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.223 6.471 3.979 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.846 5.569 4.948 1.00 0.00 C ATOM 1379 C PRO A 88 -9.304 5.317 4.593 1.00 0.00 C ATOM 1380 O PRO A 88 -9.758 4.173 4.560 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.739 6.322 6.280 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.752 7.418 6.043 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.832 7.749 4.583 1.00 0.00 C ATOM 0 HA PRO A 88 -7.366 4.591 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.706 6.724 6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.405 5.660 7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.986 8.291 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.745 7.100 6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.566 8.531 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.877 8.103 4.196 1.00 0.00 H new ATOM 1391 N LEU A 89 -10.025 6.392 4.282 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.415 6.270 3.880 1.00 0.00 C ATOM 1393 C LEU A 89 -11.448 5.512 2.577 1.00 0.00 C ATOM 1394 O LEU A 89 -12.215 4.563 2.398 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.067 7.648 3.732 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.562 8.006 2.327 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.402 8.453 1.456 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.296 6.835 1.692 1.00 0.00 C ATOM 0 H LEU A 89 -9.669 7.348 4.302 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.982 5.735 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.911 7.705 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.348 8.404 4.047 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.267 8.833 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.770 8.704 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.930 9.329 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.672 7.647 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.637 7.116 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.623 5.981 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.155 6.567 2.307 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.552 5.911 1.690 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.410 5.248 0.416 1.00 0.00 C ATOM 1412 C LEU A 90 -10.082 3.791 0.708 1.00 0.00 C ATOM 1413 O LEU A 90 -10.669 2.865 0.128 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.307 5.929 -0.396 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.346 4.999 -1.121 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.775 5.688 -2.351 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.233 4.562 -0.184 1.00 0.00 C ATOM 0 H LEU A 90 -9.913 6.693 1.834 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.323 5.306 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.775 6.582 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.730 6.566 0.274 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.890 4.112 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.089 5.012 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.587 5.959 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.240 6.588 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.551 3.897 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.687 5.438 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.661 4.037 0.670 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.192 3.600 1.682 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.837 2.267 2.126 1.00 0.00 C ATOM 1431 C ILE A 91 -10.099 1.593 2.631 1.00 0.00 C ATOM 1432 O ILE A 91 -10.383 0.442 2.304 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.814 2.277 3.279 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.405 2.603 2.784 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.826 0.929 3.976 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.087 2.032 1.425 1.00 0.00 C ATOM 0 H ILE A 91 -8.709 4.353 2.172 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.387 1.742 1.283 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.101 3.059 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.284 3.686 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.681 2.224 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.103 0.935 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.822 0.735 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.562 0.148 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.070 2.307 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.174 0.946 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.787 2.430 0.690 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.867 2.344 3.426 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.116 1.843 3.967 1.00 0.00 C ATOM 1450 C GLN A 92 -13.062 1.502 2.831 1.00 0.00 C ATOM 1451 O GLN A 92 -13.762 0.492 2.867 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.754 2.876 4.898 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.150 3.301 4.471 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.501 4.700 4.937 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -13.964 5.687 4.433 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -15.406 4.792 5.904 1.00 0.00 N ATOM 0 H GLN A 92 -10.639 3.299 3.704 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.913 0.943 4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.801 2.464 5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.113 3.757 4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.224 3.255 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.879 2.595 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.825 3.947 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.682 5.708 6.259 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.060 2.352 1.813 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.902 2.140 0.650 1.00 0.00 C ATOM 1467 C TYR A 93 -13.421 0.926 -0.126 1.00 0.00 C ATOM 1468 O TYR A 93 -14.220 0.125 -0.613 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.908 3.372 -0.255 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.950 3.304 -1.350 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.667 2.701 -2.569 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -16.217 3.842 -1.162 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.617 2.636 -3.572 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -17.173 3.782 -2.159 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.868 3.178 -3.361 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.816 3.117 -4.357 1.00 0.00 O ATOM 0 H TYR A 93 -12.484 3.193 1.772 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.921 1.966 0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.086 4.260 0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.923 3.487 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.688 2.276 -2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.459 4.315 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.381 2.164 -4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -18.153 4.206 -1.998 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.643 3.543 -4.048 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.104 0.790 -0.227 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.511 -0.339 -0.935 1.00 0.00 C ATOM 1488 C HIS A 94 -11.729 -1.642 -0.174 1.00 0.00 C ATOM 1489 O HIS A 94 -11.107 -2.658 -0.477 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.017 -0.108 -1.160 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.740 0.933 -2.187 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.933 0.929 -3.528 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -9.214 2.164 -1.879 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.522 2.148 -4.000 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -9.094 2.876 -2.988 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.429 1.444 0.170 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.006 -0.421 -1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.554 0.186 -0.218 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.552 -1.045 -1.465 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.313 0.162 -4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.942 2.498 -0.889 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.545 2.461 -5.033 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.618 -1.604 0.816 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.922 -2.782 1.617 1.00 0.00 C ATOM 1506 C GLN A 95 -14.297 -2.660 2.257 1.00 0.00 C ATOM 1507 O GLN A 95 -15.191 -3.464 1.997 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.852 -2.985 2.692 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.394 -3.518 4.009 1.00 0.00 C ATOM 1510 CD GLN A 95 -12.052 -2.624 5.185 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -11.982 -1.321 4.939 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -11.852 -3.100 6.303 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.140 -0.768 1.081 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.927 -3.651 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.098 -3.676 2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.350 -2.035 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.477 -3.620 3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.991 -4.515 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.916 -4.108 6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.622 -2.487 7.085 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.455 -1.647 3.091 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.721 -1.405 3.774 1.00 0.00 C ATOM 1523 C TYR A 96 -16.807 -1.018 2.777 1.00 0.00 C ATOM 1524 O TYR A 96 -17.977 -0.881 3.138 1.00 0.00 O ATOM 1525 CB TYR A 96 -15.558 -0.304 4.822 1.00 0.00 C ATOM 1526 CG TYR A 96 -16.789 0.557 4.993 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -17.847 0.138 5.790 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -16.893 1.787 4.358 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -18.975 0.920 5.948 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -18.017 2.577 4.512 1.00 0.00 C ATOM 1531 CZ TYR A 96 -19.055 2.140 5.306 1.00 0.00 C ATOM 1532 OH TYR A 96 -20.176 2.923 5.462 1.00 0.00 O ATOM 0 H TYR A 96 -13.721 -0.975 3.314 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.020 -2.327 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -15.308 -0.760 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -14.717 0.331 4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -17.787 -0.815 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.083 2.132 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -19.789 0.579 6.570 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.081 3.532 4.012 1.00 0.00 H new ATOM 0 HH TYR A 96 -20.073 3.749 4.945 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.413 -0.845 1.519 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.348 -0.477 0.467 1.00 0.00 C ATOM 1544 C ASN A 97 -17.148 -1.351 -0.767 1.00 0.00 C ATOM 1545 O ASN A 97 -16.518 -2.406 -0.697 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.179 0.998 0.099 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.601 1.925 1.220 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -16.938 2.925 1.498 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -18.711 1.600 1.873 1.00 0.00 N ATOM 0 H ASN A 97 -15.449 -0.955 1.205 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.360 -0.635 0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.136 1.189 -0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.768 1.217 -0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.044 2.188 2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.231 0.762 1.610 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.686 -0.903 -1.896 1.00 0.00 N ATOM 1557 CA GLY A 98 -17.556 -1.657 -3.129 1.00 0.00 C ATOM 1558 C GLY A 98 -16.206 -2.335 -3.255 1.00 0.00 C ATOM 1559 O GLY A 98 -16.097 -3.551 -3.093 1.00 0.00 O ATOM 0 H GLY A 98 -18.210 -0.032 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.343 -2.410 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.704 -0.989 -3.977 1.00 0.00 H new ATOM 1563 N GLY A 99 -15.176 -1.548 -3.546 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.840 -2.098 -3.691 1.00 0.00 C ATOM 1565 C GLY A 99 -13.608 -2.706 -5.059 1.00 0.00 C ATOM 1566 O GLY A 99 -14.557 -2.998 -5.786 1.00 0.00 O ATOM 0 H GLY A 99 -15.242 -0.540 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.106 -1.311 -3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.679 -2.858 -2.927 1.00 0.00 H new ATOM 1570 N GLY A 100 -12.340 -2.895 -5.414 1.00 0.00 N ATOM 1571 CA GLY A 100 -12.010 -3.471 -6.704 1.00 0.00 C ATOM 1572 C GLY A 100 -10.547 -3.858 -6.808 1.00 0.00 C ATOM 1573 O GLY A 100 -10.008 -3.978 -7.908 1.00 0.00 O ATOM 0 H GLY A 100 -11.537 -2.659 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.629 -4.352 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.250 -2.756 -7.490 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.904 -4.058 -5.663 1.00 0.00 N ATOM 1578 CA LEU A 101 -8.497 -4.435 -5.632 1.00 0.00 C ATOM 1579 C LEU A 101 -8.307 -5.771 -4.920 1.00 0.00 C ATOM 1580 O LEU A 101 -9.272 -6.498 -4.678 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.672 -3.351 -4.934 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.432 -2.062 -4.619 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -8.307 -1.716 -3.143 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.918 -0.919 -5.481 1.00 0.00 C ATOM 0 H LEU A 101 -10.336 -3.965 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.152 -4.539 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.277 -3.759 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.816 -3.106 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 101 -9.487 -2.218 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.854 -0.796 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.721 -2.526 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.256 -1.578 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.469 -0.009 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.858 -0.763 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.059 -1.165 -6.533 1.00 0.00 H new ATOM 1596 N VAL A 102 -7.060 -6.088 -4.587 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.746 -7.336 -3.903 1.00 0.00 C ATOM 1598 C VAL A 102 -7.598 -7.504 -2.650 1.00 0.00 C ATOM 1599 O VAL A 102 -7.465 -6.746 -1.688 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.259 -7.402 -3.512 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.958 -6.428 -2.384 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.873 -8.820 -3.119 1.00 0.00 C ATOM 0 H VAL A 102 -6.251 -5.498 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.967 -8.144 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.662 -7.114 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.902 -6.490 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.193 -5.414 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.563 -6.681 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.818 -8.847 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.476 -9.139 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.047 -9.491 -3.960 1.00 0.00 H new ATOM 1612 N THR A 103 -8.473 -8.504 -2.669 1.00 0.00 N ATOM 1613 CA THR A 103 -9.351 -8.776 -1.538 1.00 0.00 C ATOM 1614 C THR A 103 -9.608 -7.511 -0.726 1.00 0.00 C ATOM 1615 O THR A 103 -9.743 -7.562 0.496 1.00 0.00 O ATOM 1616 CB THR A 103 -8.748 -9.858 -0.642 1.00 0.00 C ATOM 1617 OG1 THR A 103 -7.365 -9.627 -0.441 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.906 -11.254 -1.202 1.00 0.00 C ATOM 0 H THR A 103 -8.593 -9.140 -3.457 1.00 0.00 H new ATOM 0 HA THR A 103 -10.303 -9.131 -1.932 1.00 0.00 H new ATOM 0 HB THR A 103 -9.298 -9.798 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.953 -10.426 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.457 -11.974 -0.518 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.966 -11.480 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.410 -11.316 -2.171 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.683 -6.383 -1.418 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.934 -5.101 -0.768 1.00 0.00 C ATOM 1628 C ARG A 104 -9.034 -4.913 0.450 1.00 0.00 C ATOM 1629 O ARG A 104 -8.496 -5.878 0.993 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.401 -5.010 -0.346 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.342 -4.647 -1.484 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.794 -4.884 -1.105 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.078 -6.299 -0.881 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.130 -6.858 0.323 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -13.915 -6.126 1.407 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -14.394 -8.152 0.444 1.00 0.00 N ATOM 0 H ARG A 104 -9.574 -6.328 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.709 -4.310 -1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.708 -5.966 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.497 -4.266 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.202 -3.600 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.094 -5.239 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.030 -4.320 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.441 -4.505 -1.896 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.246 -6.891 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.709 -5.131 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.956 -6.558 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.557 -8.719 -0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.434 -8.580 1.369 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.880 -3.663 0.883 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.052 -3.352 2.043 1.00 0.00 C ATOM 1652 C LEU A 105 -8.619 -4.037 3.287 1.00 0.00 C ATOM 1653 O LEU A 105 -9.788 -3.852 3.623 1.00 0.00 O ATOM 1654 CB LEU A 105 -7.985 -1.836 2.259 1.00 0.00 C ATOM 1655 CG LEU A 105 -6.983 -1.090 1.371 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.592 -1.109 1.991 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.954 -1.691 -0.026 1.00 0.00 C ATOM 0 H LEU A 105 -9.318 -2.851 0.448 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.043 -3.722 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.977 -1.418 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.733 -1.645 3.302 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.306 -0.052 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.898 -0.574 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.622 -0.626 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.259 -2.140 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.237 -1.148 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.660 -2.739 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.945 -1.618 -0.474 1.00 0.00 H new ATOM 1669 N ARG A 106 -7.800 -4.843 3.954 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.254 -5.564 5.135 1.00 0.00 C ATOM 1671 C ARG A 106 -7.407 -5.274 6.372 1.00 0.00 C ATOM 1672 O ARG A 106 -7.853 -4.590 7.293 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.252 -7.066 4.862 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.187 -7.853 5.765 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.150 -8.710 4.958 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.089 -10.116 5.351 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.001 -11.017 5.002 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.037 -10.660 4.256 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -10.878 -12.276 5.397 1.00 0.00 N ATOM 0 H ARG A 106 -6.827 -5.012 3.699 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.265 -5.216 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.535 -7.238 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.238 -7.447 4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.603 -8.489 6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.751 -7.165 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.166 -8.339 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.915 -8.619 3.897 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.303 -10.423 5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.135 -9.692 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.736 -11.353 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.082 -12.555 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.579 -12.966 5.128 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.197 -5.825 6.400 1.00 0.00 N ATOM 1694 CA TYR A 107 -5.306 -5.652 7.541 1.00 0.00 C ATOM 1695 C TYR A 107 -4.227 -4.621 7.251 1.00 0.00 C ATOM 1696 O TYR A 107 -3.506 -4.720 6.263 1.00 0.00 O ATOM 1697 CB TYR A 107 -4.656 -6.992 7.896 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.172 -7.082 9.325 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -3.611 -5.982 9.962 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.273 -8.269 10.038 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -3.166 -6.063 11.267 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.833 -8.359 11.344 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.280 -7.253 11.954 1.00 0.00 C ATOM 1704 OH TYR A 107 -2.839 -7.336 13.255 1.00 0.00 O ATOM 0 H TYR A 107 -5.812 -6.394 5.646 1.00 0.00 H new ATOM 0 HA TYR A 107 -5.899 -5.294 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -5.375 -7.792 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -3.813 -7.164 7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.521 -5.048 9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.704 -9.138 9.563 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -2.731 -5.199 11.747 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.922 -9.290 11.884 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.993 -8.242 13.595 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.102 -3.613 8.121 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.116 -2.555 7.980 1.00 0.00 C ATOM 1716 C PRO A 108 -1.770 -2.935 8.587 1.00 0.00 C ATOM 1717 O PRO A 108 -1.527 -2.708 9.772 1.00 0.00 O ATOM 1718 CB PRO A 108 -3.740 -1.385 8.751 1.00 0.00 C ATOM 1719 CG PRO A 108 -4.981 -1.914 9.406 1.00 0.00 C ATOM 1720 CD PRO A 108 -4.917 -3.412 9.317 1.00 0.00 C ATOM 0 HA PRO A 108 -2.904 -2.330 6.935 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.045 -0.997 9.495 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.979 -0.561 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.037 -1.591 10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.873 -1.535 8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.458 -3.854 10.202 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.907 -3.857 9.215 1.00 0.00 H new ATOM 1728 N VAL A 109 -0.899 -3.518 7.771 1.00 0.00 N ATOM 1729 CA VAL A 109 0.416 -3.932 8.229 1.00 0.00 C ATOM 1730 C VAL A 109 1.457 -2.847 7.978 1.00 0.00 C ATOM 1731 O VAL A 109 2.329 -2.998 7.120 1.00 0.00 O ATOM 1732 CB VAL A 109 0.871 -5.229 7.539 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.990 -5.891 8.329 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.303 -6.178 7.367 1.00 0.00 C ATOM 0 H VAL A 109 -1.083 -3.714 6.787 1.00 0.00 H new ATOM 0 HA VAL A 109 0.331 -4.109 9.301 1.00 0.00 H new ATOM 0 HB VAL A 109 1.256 -4.979 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.298 -6.807 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.839 -5.211 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.635 -6.130 9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.036 -7.091 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.719 -6.423 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.070 -5.701 6.756 1.00 0.00 H new ATOM 1744 N CYS A 110 1.368 -1.757 8.731 1.00 0.00 N ATOM 1745 CA CYS A 110 2.308 -0.652 8.588 1.00 0.00 C ATOM 1746 C CYS A 110 3.691 -1.050 9.095 1.00 0.00 C ATOM 1747 O CYS A 110 4.335 -0.301 9.829 1.00 0.00 O ATOM 1748 CB CYS A 110 1.808 0.573 9.354 1.00 0.00 C ATOM 1749 SG CYS A 110 2.753 2.079 9.035 1.00 0.00 S ATOM 0 H CYS A 110 0.655 -1.615 9.446 1.00 0.00 H new ATOM 0 HA CYS A 110 2.382 -0.405 7.529 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.764 0.750 9.094 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.838 0.357 10.422 1.00 0.00 H new ATOM 0 HG CYS A 110 4.016 1.850 9.240 1.00 0.00 H new ATOM 1755 N GLY A 111 4.139 -2.238 8.701 1.00 0.00 N ATOM 1756 CA GLY A 111 5.442 -2.717 9.126 1.00 0.00 C ATOM 1757 C GLY A 111 5.884 -2.105 10.440 1.00 0.00 C ATOM 1758 O GLY A 111 7.107 -1.943 10.638 1.00 0.00 O ATOM 0 H GLY A 111 3.624 -2.877 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.412 -3.802 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.179 -2.488 8.356 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 1.721 1.977 -14.099 1.00 0.00 C HETATM 1764 O ACE B 118 1.584 1.224 -13.135 1.00 0.00 O HETATM 1765 CH3 ACE B 118 0.852 3.199 -14.253 1.00 0.00 C HETATM 0 H1 ACE B 118 1.478 4.091 -14.268 1.00 0.00 H new HETATM 0 H2 ACE B 118 0.292 3.132 -15.186 1.00 0.00 H new HETATM 0 H3 ACE B 118 0.156 3.259 -13.416 1.00 0.00 H new ATOM 1769 N ALA B 119 2.620 1.773 -15.055 1.00 0.00 N ATOM 1770 CA ALA B 119 3.520 0.626 -15.026 1.00 0.00 C ATOM 1771 C ALA B 119 4.374 0.631 -13.763 1.00 0.00 C ATOM 1772 O ALA B 119 4.838 -0.415 -13.310 1.00 0.00 O ATOM 1773 CB ALA B 119 4.404 0.618 -16.263 1.00 0.00 C ATOM 0 H ALA B 119 2.745 2.387 -15.860 1.00 0.00 H new ATOM 0 HA ALA B 119 2.914 -0.280 -15.020 1.00 0.00 H new ATOM 0 HB1 ALA B 119 5.071 -0.244 -16.228 1.00 0.00 H new ATOM 0 HB2 ALA B 119 3.781 0.559 -17.155 1.00 0.00 H new ATOM 0 HB3 ALA B 119 4.995 1.533 -16.294 1.00 0.00 H new ATOM 1779 N ASP B 120 4.578 1.817 -13.198 1.00 0.00 N ATOM 1780 CA ASP B 120 5.377 1.959 -11.986 1.00 0.00 C ATOM 1781 C ASP B 120 4.563 1.584 -10.752 1.00 0.00 C ATOM 1782 O ASP B 120 5.116 1.382 -9.669 1.00 0.00 O ATOM 1783 CB ASP B 120 5.892 3.392 -11.855 1.00 0.00 C ATOM 1784 CG ASP B 120 6.072 3.812 -10.410 1.00 0.00 C ATOM 1785 OD1 ASP B 120 6.682 3.044 -9.638 1.00 0.00 O ATOM 1786 OD2 ASP B 120 5.598 4.912 -10.048 1.00 0.00 O ATOM 0 H ASP B 120 4.201 2.693 -13.560 1.00 0.00 H new ATOM 0 HA ASP B 120 6.227 1.280 -12.059 1.00 0.00 H new ATOM 0 HB2 ASP B 120 6.844 3.482 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP B 120 5.194 4.072 -12.344 1.00 0.00 H new HETATM 1791 N PTR B 121 3.249 1.491 -10.921 1.00 0.00 N HETATM 1792 CA PTR B 121 2.359 1.140 -9.820 1.00 0.00 C HETATM 1793 C PTR B 121 1.090 0.473 -10.337 1.00 0.00 C HETATM 1794 O PTR B 121 0.262 1.113 -10.984 1.00 0.00 O HETATM 1795 CB PTR B 121 1.998 2.385 -9.010 1.00 0.00 C HETATM 1796 CG PTR B 121 2.811 2.539 -7.745 1.00 0.00 C HETATM 1797 CD1 PTR B 121 2.570 1.731 -6.642 1.00 0.00 C HETATM 1798 CD2 PTR B 121 3.819 3.489 -7.657 1.00 0.00 C HETATM 1799 CE1 PTR B 121 3.312 1.864 -5.485 1.00 0.00 C HETATM 1800 CE2 PTR B 121 4.567 3.630 -6.504 1.00 0.00 C HETATM 1801 CZ PTR B 121 4.310 2.815 -5.422 1.00 0.00 C HETATM 1802 OH PTR B 121 5.055 2.951 -4.274 1.00 0.00 O HETATM 1803 P PTR B 121 6.621 2.843 -4.637 1.00 0.00 P HETATM 1804 O1P PTR B 121 7.286 1.473 -4.115 1.00 0.00 O HETATM 1805 O2P PTR B 121 7.262 4.049 -4.070 1.00 0.00 O HETATM 1806 O3P PTR B 121 6.701 2.795 -6.245 1.00 0.00 O HETATM 0 HE2 PTR B 121 5.355 4.381 -6.450 1.00 0.00 H new HETATM 0 HE1 PTR B 121 3.111 1.222 -4.627 1.00 0.00 H new HETATM 0 HD2 PTR B 121 4.024 4.134 -8.511 1.00 0.00 H new HETATM 0 HD1 PTR B 121 1.782 0.979 -6.690 1.00 0.00 H new HETATM 0 HB3 PTR B 121 2.140 3.268 -9.633 1.00 0.00 H new HETATM 0 HB2 PTR B 121 0.940 2.345 -8.750 1.00 0.00 H new HETATM 0 HA PTR B 121 2.883 0.434 -9.175 1.00 0.00 H new HETATM 0 H PTR B 121 2.979 1.281 -11.882 1.00 0.00 H new ATOM 1815 N GLU B 122 0.942 -0.816 -10.046 1.00 0.00 N ATOM 1816 CA GLU B 122 -0.232 -1.561 -10.481 1.00 0.00 C ATOM 1817 C GLU B 122 -1.385 -0.612 -10.787 1.00 0.00 C ATOM 1818 O GLU B 122 -2.113 -0.192 -9.887 1.00 0.00 O ATOM 1819 CB GLU B 122 -0.652 -2.569 -9.410 1.00 0.00 C ATOM 1820 CG GLU B 122 -0.344 -4.012 -9.779 1.00 0.00 C ATOM 1821 CD GLU B 122 -1.547 -4.923 -9.622 1.00 0.00 C ATOM 1822 OE1 GLU B 122 -2.686 -4.413 -9.656 1.00 0.00 O ATOM 1823 OE2 GLU B 122 -1.347 -6.146 -9.464 1.00 0.00 O ATOM 0 H GLU B 122 1.618 -1.363 -9.513 1.00 0.00 H new ATOM 0 HA GLU B 122 0.025 -2.103 -11.391 1.00 0.00 H new ATOM 0 HB2 GLU B 122 -0.146 -2.326 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU B 122 -1.722 -2.469 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU B 122 0.006 -4.053 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU B 122 0.469 -4.378 -9.152 1.00 0.00 H new ATOM 1830 N PRO B 123 -1.560 -0.259 -12.067 1.00 0.00 N ATOM 1831 CA PRO B 123 -2.623 0.649 -12.506 1.00 0.00 C ATOM 1832 C PRO B 123 -3.997 0.221 -12.003 1.00 0.00 C ATOM 1833 O PRO B 123 -4.634 -0.661 -12.581 1.00 0.00 O ATOM 1834 CB PRO B 123 -2.565 0.578 -14.039 1.00 0.00 C ATOM 1835 CG PRO B 123 -1.675 -0.580 -14.355 1.00 0.00 C ATOM 1836 CD PRO B 123 -0.738 -0.714 -13.192 1.00 0.00 C ATOM 0 HA PRO B 123 -2.476 1.655 -12.114 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -3.559 0.435 -14.463 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -2.169 1.503 -14.459 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -2.256 -1.492 -14.494 1.00 0.00 H new ATOM 0 HG3 PRO B 123 -1.125 -0.408 -15.280 1.00 0.00 H new ATOM 0 HD2 PRO B 123 -0.401 -1.742 -13.059 1.00 0.00 H new ATOM 0 HD3 PRO B 123 0.154 -0.100 -13.317 1.00 0.00 H new ATOM 1844 N PRO B 124 -4.473 0.851 -10.920 1.00 0.00 N ATOM 1845 CA PRO B 124 -5.773 0.551 -10.334 1.00 0.00 C ATOM 1846 C PRO B 124 -6.805 0.141 -11.379 1.00 0.00 C ATOM 1847 O PRO B 124 -7.355 0.983 -12.091 1.00 0.00 O ATOM 1848 CB PRO B 124 -6.149 1.884 -9.695 1.00 0.00 C ATOM 1849 CG PRO B 124 -4.848 2.477 -9.263 1.00 0.00 C ATOM 1850 CD PRO B 124 -3.781 1.917 -10.177 1.00 0.00 C ATOM 0 HA PRO B 124 -5.741 -0.290 -9.641 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -6.664 2.532 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.820 1.742 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -4.879 3.565 -9.328 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -4.636 2.226 -8.224 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -3.389 2.681 -10.848 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -2.936 1.525 -9.611 1.00 0.00 H new HETATM 1858 N NH2 B 125 -7.078 -1.155 -11.482 1.00 0.00 N TER 1859 NH2 B 125