USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, 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 81 LYS NZ :NH3+ -133:sc= 0.502 (180deg=0.00337) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 SER OG : rot -3:sc= -7.82! USER MOD Set 2.2: A 63 HIS : no HD1:sc= -13.3! C(o=-21!,f=-28!) USER MOD Set 3.1: A 41 THR OG1 : rot -40:sc= 0.267! USER MOD Set 3.2: A 44 THR OG1 : rot 168:sc= -2.98! USER MOD Set 3.3: A 65 HIS :FLIP no HD1:sc= -21.6! C(o=-31!,f=-24!) USER MOD Set 4.1: A 5 ASN :FLIP amide:sc= -6.79! C(o=-9.8!,f=-7.5!) USER MOD Set 4.2: A 9 TYR OH : rot -61:sc= -0.722! USER MOD Set 5.1: A 4 ASN : amide:sc= 1.99 K(o=3.1,f=-4.4!) USER MOD Set 5.2: A 45 TYR OH : rot -148:sc= 1.14 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -178:sc= -7.98! USER MOD Single : A 13 ASN : amide:sc= -10! C(o=-10!,f=-13!) 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 126:sc= -0.394 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0.949 (180deg=0.815) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 65:sc= -2.8! USER MOD Single : A 30 LYS NZ :NH3+ -131:sc= -2.56! (180deg=-6.87!) USER MOD Single : A 35 MET CE :methyl 173:sc= -29.9! (180deg=-31.7!) USER MOD Single : A 39 SER OG : rot 152:sc= -4.27! USER MOD Single : A 46 THR OG1 : rot -18:sc= -18.5! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 145:sc= -10.5! (180deg=-15.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 58 ASN : amide:sc= -5.36! C(o=-5.4!,f=-5.1!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -113:sc= -0.885 (180deg=-4.88!) USER MOD Single : A 64 TYR OH : rot 107:sc= -19.3! USER MOD Single : A 67 LYS NZ :NH3+ -107:sc= -1.32 (180deg=-5!) USER MOD Single : A 69 THR OG1 : rot 140:sc= -9.94! USER MOD Single : A 70 ASN :FLIP amide:sc= -2.37! C(o=-3.6!,f=-2.4!) USER MOD Single : A 72 SER OG : rot 3:sc= 0.947 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -75:sc= -8.66! USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 94 HIS : no HE2:sc= -28.8! C(o=-29!,f=-32!) USER MOD Single : A 95 GLN :FLIP amide:sc= -10.7! C(o=-16!,f=-11!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.13 K(o=-0.13,f=-0.66) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= -4.28! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 1.526 14.319 8.406 1.00 0.00 C HETATM 2 O ACE A 3 2.228 14.656 7.453 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.084 14.296 9.807 1.00 0.00 C HETATM 0 H1 ACE A 3 1.513 14.977 10.437 1.00 0.00 H new HETATM 0 H2 ACE A 3 2.015 13.285 10.209 1.00 0.00 H new HETATM 0 H3 ACE A 3 3.128 14.609 9.788 1.00 0.00 H new ATOM 7 N ASN A 4 0.254 13.958 8.275 1.00 0.00 N ATOM 8 CA ASN A 4 -0.406 13.935 6.976 1.00 0.00 C ATOM 9 C ASN A 4 -1.751 13.233 7.075 1.00 0.00 C ATOM 10 O ASN A 4 -2.650 13.472 6.269 1.00 0.00 O ATOM 11 CB ASN A 4 0.476 13.230 5.940 1.00 0.00 C ATOM 12 CG ASN A 4 0.810 14.124 4.763 1.00 0.00 C ATOM 13 OD1 ASN A 4 0.313 13.921 3.655 1.00 0.00 O ATOM 14 ND2 ASN A 4 1.658 15.119 4.996 1.00 0.00 N ATOM 0 H ASN A 4 -0.341 13.677 9.054 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.569 14.964 6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.399 12.901 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.034 12.336 5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.921 15.752 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.046 15.250 5.930 1.00 0.00 H new ATOM 21 N ASN A 5 -1.875 12.366 8.072 1.00 0.00 N ATOM 22 CA ASN A 5 -3.103 11.618 8.292 1.00 0.00 C ATOM 23 C ASN A 5 -2.966 10.198 7.766 1.00 0.00 C ATOM 24 O ASN A 5 -3.435 9.244 8.384 1.00 0.00 O ATOM 25 CB ASN A 5 -4.288 12.312 7.618 1.00 0.00 C ATOM 26 CG ASN A 5 -5.587 11.574 7.854 1.00 0.00 C ATOM 27 OD1 ASN A 5 -5.517 10.506 8.636 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -6.638 11.959 7.344 1.00 0.00 N flip ATOM 0 H ASN A 5 -1.135 12.164 8.744 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.286 11.579 9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.375 13.330 7.998 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.103 12.386 6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.643 12.787 6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.505 11.450 7.516 1.00 0.00 H new ATOM 35 N LEU A 6 -2.316 10.073 6.623 1.00 0.00 N ATOM 36 CA LEU A 6 -2.104 8.777 5.993 1.00 0.00 C ATOM 37 C LEU A 6 -1.105 7.941 6.785 1.00 0.00 C ATOM 38 O LEU A 6 -1.340 6.767 7.064 1.00 0.00 O ATOM 39 CB LEU A 6 -1.612 8.974 4.557 1.00 0.00 C ATOM 40 CG LEU A 6 -1.570 7.710 3.700 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.867 7.553 2.925 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.382 7.750 2.750 1.00 0.00 C ATOM 0 H LEU A 6 -1.922 10.859 6.106 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.053 8.240 5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.257 9.704 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.611 9.404 4.590 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.455 6.849 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.822 6.648 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.701 7.481 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.010 8.417 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.367 6.842 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.468 8.618 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.541 7.819 3.325 1.00 0.00 H new ATOM 54 N GLU A 7 0.009 8.565 7.134 1.00 0.00 N ATOM 55 CA GLU A 7 1.068 7.904 7.888 1.00 0.00 C ATOM 56 C GLU A 7 0.611 7.551 9.301 1.00 0.00 C ATOM 57 O GLU A 7 1.275 6.786 10.001 1.00 0.00 O ATOM 58 CB GLU A 7 2.304 8.803 7.955 1.00 0.00 C ATOM 59 CG GLU A 7 2.275 9.793 9.109 1.00 0.00 C ATOM 60 CD GLU A 7 2.456 9.121 10.456 1.00 0.00 C ATOM 61 OE1 GLU A 7 3.145 8.081 10.514 1.00 0.00 O ATOM 62 OE2 GLU A 7 1.910 9.637 11.454 1.00 0.00 O ATOM 0 H GLU A 7 0.206 9.539 6.905 1.00 0.00 H new ATOM 0 HA GLU A 7 1.317 6.978 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.193 8.178 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.394 9.353 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.062 10.534 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.326 10.330 9.099 1.00 0.00 H new ATOM 69 N THR A 8 -0.512 8.122 9.721 1.00 0.00 N ATOM 70 CA THR A 8 -1.037 7.872 11.060 1.00 0.00 C ATOM 71 C THR A 8 -1.956 6.654 11.093 1.00 0.00 C ATOM 72 O THR A 8 -2.389 6.229 12.165 1.00 0.00 O ATOM 73 CB THR A 8 -1.787 9.103 11.572 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.176 8.842 11.661 1.00 0.00 O ATOM 75 CG2 THR A 8 -1.603 10.322 10.696 1.00 0.00 C ATOM 0 H THR A 8 -1.075 8.759 9.157 1.00 0.00 H new ATOM 0 HA THR A 8 -0.187 7.666 11.711 1.00 0.00 H new ATOM 0 HB THR A 8 -1.362 9.314 12.553 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.638 9.640 11.992 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.161 11.159 11.116 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.545 10.579 10.648 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.970 10.108 9.692 1.00 0.00 H new ATOM 83 N TYR A 9 -2.259 6.098 9.927 1.00 0.00 N ATOM 84 CA TYR A 9 -3.136 4.940 9.852 1.00 0.00 C ATOM 85 C TYR A 9 -2.370 3.643 10.075 1.00 0.00 C ATOM 86 O TYR A 9 -1.149 3.641 10.222 1.00 0.00 O ATOM 87 CB TYR A 9 -3.849 4.894 8.506 1.00 0.00 C ATOM 88 CG TYR A 9 -4.873 5.985 8.347 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.517 7.214 7.820 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.191 5.788 8.732 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.444 8.223 7.677 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.130 6.792 8.596 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.753 8.009 8.065 1.00 0.00 C ATOM 94 OH TYR A 9 -7.685 9.018 7.925 1.00 0.00 O ATOM 0 H TYR A 9 -1.912 6.429 9.026 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.876 5.039 10.646 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.112 4.976 7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.337 3.926 8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.495 7.385 7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.488 4.835 9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.149 9.176 7.264 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.152 6.626 8.903 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.414 9.791 8.463 1.00 0.00 H new ATOM 104 N GLU A 10 -3.110 2.540 10.108 1.00 0.00 N ATOM 105 CA GLU A 10 -2.522 1.227 10.323 1.00 0.00 C ATOM 106 C GLU A 10 -1.956 0.651 9.037 1.00 0.00 C ATOM 107 O GLU A 10 -1.954 -0.563 8.847 1.00 0.00 O ATOM 108 CB GLU A 10 -3.570 0.266 10.881 1.00 0.00 C ATOM 109 CG GLU A 10 -4.996 0.771 10.736 1.00 0.00 C ATOM 110 CD GLU A 10 -5.298 1.937 11.655 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.612 2.072 12.689 1.00 0.00 O ATOM 112 OE2 GLU A 10 -6.224 2.716 11.341 1.00 0.00 O ATOM 0 H GLU A 10 -4.123 2.532 9.988 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.708 1.347 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.479 -0.693 10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.362 0.087 11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.167 1.074 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.689 -0.043 10.948 1.00 0.00 H new ATOM 119 N TRP A 11 -1.497 1.508 8.141 1.00 0.00 N ATOM 120 CA TRP A 11 -0.970 1.020 6.878 1.00 0.00 C ATOM 121 C TRP A 11 0.080 1.940 6.263 1.00 0.00 C ATOM 122 O TRP A 11 0.836 1.510 5.392 1.00 0.00 O ATOM 123 CB TRP A 11 -2.123 0.823 5.902 1.00 0.00 C ATOM 124 CG TRP A 11 -3.260 1.766 6.150 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.263 1.623 7.064 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.505 3.001 5.477 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.118 2.694 6.996 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.675 3.553 6.024 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.848 3.692 4.463 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.198 4.765 5.583 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.365 4.897 4.029 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.535 5.421 4.588 1.00 0.00 C ATOM 0 H TRP A 11 -1.478 2.521 8.259 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.467 0.075 7.082 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.759 0.960 4.884 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.485 -0.203 5.976 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.368 0.789 7.742 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.947 2.829 7.574 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.947 3.292 4.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.100 5.173 6.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.858 5.443 3.247 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.921 6.362 4.225 1.00 0.00 H new ATOM 143 N TYR A 12 0.141 3.193 6.695 1.00 0.00 N ATOM 144 CA TYR A 12 1.120 4.109 6.137 1.00 0.00 C ATOM 145 C TYR A 12 2.360 4.192 7.006 1.00 0.00 C ATOM 146 O TYR A 12 2.304 4.589 8.171 1.00 0.00 O ATOM 147 CB TYR A 12 0.544 5.508 5.926 1.00 0.00 C ATOM 148 CG TYR A 12 1.473 6.378 5.109 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.655 5.849 4.613 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.183 7.705 4.828 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.523 6.605 3.862 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.049 8.477 4.073 1.00 0.00 C ATOM 153 CZ TYR A 12 3.218 7.922 3.591 1.00 0.00 C ATOM 154 OH TYR A 12 4.081 8.687 2.841 1.00 0.00 O ATOM 0 H TYR A 12 -0.463 3.590 7.415 1.00 0.00 H new ATOM 0 HA TYR A 12 1.398 3.705 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.420 5.433 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.363 5.977 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.899 4.818 4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.269 8.142 5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.438 6.170 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.811 9.509 3.862 1.00 0.00 H new ATOM 0 HH TYR A 12 3.732 9.600 2.770 1.00 0.00 H new ATOM 164 N ASN A 13 3.480 3.817 6.414 1.00 0.00 N ATOM 165 CA ASN A 13 4.759 3.839 7.089 1.00 0.00 C ATOM 166 C ASN A 13 5.501 5.138 6.775 1.00 0.00 C ATOM 167 O ASN A 13 5.485 5.618 5.641 1.00 0.00 O ATOM 168 CB ASN A 13 5.566 2.618 6.666 1.00 0.00 C ATOM 169 CG ASN A 13 6.202 1.906 7.841 1.00 0.00 C ATOM 170 OD1 ASN A 13 7.198 2.366 8.398 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.623 0.776 8.227 1.00 0.00 N ATOM 0 H ASN A 13 3.525 3.488 5.449 1.00 0.00 H new ATOM 0 HA ASN A 13 4.610 3.801 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.916 1.924 6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.344 2.925 5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.003 0.252 9.015 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.798 0.432 7.736 1.00 0.00 H new ATOM 178 N LYS A 14 6.109 5.720 7.800 1.00 0.00 N ATOM 179 CA LYS A 14 6.828 6.988 7.667 1.00 0.00 C ATOM 180 C LYS A 14 7.709 7.023 6.427 1.00 0.00 C ATOM 181 O LYS A 14 7.641 7.961 5.634 1.00 0.00 O ATOM 182 CB LYS A 14 7.683 7.240 8.908 1.00 0.00 C ATOM 183 CG LYS A 14 7.101 6.643 10.178 1.00 0.00 C ATOM 184 CD LYS A 14 7.068 7.663 11.304 1.00 0.00 C ATOM 185 CE LYS A 14 8.152 7.392 12.335 1.00 0.00 C ATOM 186 NZ LYS A 14 7.701 6.429 13.376 1.00 0.00 N ATOM 0 H LYS A 14 6.120 5.332 8.743 1.00 0.00 H new ATOM 0 HA LYS A 14 6.079 7.773 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.678 6.825 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.804 8.315 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.091 6.281 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.695 5.781 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.198 8.664 10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.091 7.641 11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.037 6.998 11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.444 8.329 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.469 6.272 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.872 6.815 13.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.447 5.526 12.927 1.00 0.00 H new ATOM 200 N SER A 15 8.535 6.004 6.264 1.00 0.00 N ATOM 201 CA SER A 15 9.427 5.936 5.109 1.00 0.00 C ATOM 202 C SER A 15 10.357 4.727 5.177 1.00 0.00 C ATOM 203 O SER A 15 11.569 4.874 5.342 1.00 0.00 O ATOM 204 CB SER A 15 10.253 7.218 5.006 1.00 0.00 C ATOM 205 OG SER A 15 10.848 7.341 3.726 1.00 0.00 O ATOM 0 H SER A 15 8.610 5.217 6.908 1.00 0.00 H new ATOM 0 HA SER A 15 8.804 5.828 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.616 8.081 5.198 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.028 7.217 5.772 1.00 0.00 H new ATOM 0 HG SER A 15 11.369 8.170 3.686 1.00 0.00 H new ATOM 211 N ILE A 16 9.787 3.535 5.040 1.00 0.00 N ATOM 212 CA ILE A 16 10.561 2.310 5.073 1.00 0.00 C ATOM 213 C ILE A 16 10.748 1.748 3.663 1.00 0.00 C ATOM 214 O ILE A 16 11.867 1.695 3.154 1.00 0.00 O ATOM 215 CB ILE A 16 9.882 1.265 5.982 1.00 0.00 C ATOM 216 CG1 ILE A 16 9.697 -0.070 5.258 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.546 1.792 6.486 1.00 0.00 C ATOM 218 CD1 ILE A 16 8.252 -0.394 4.948 1.00 0.00 C ATOM 0 H ILE A 16 8.786 3.396 4.905 1.00 0.00 H new ATOM 0 HA ILE A 16 11.544 2.541 5.483 1.00 0.00 H new ATOM 0 HB ILE A 16 10.535 1.088 6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.264 -0.051 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.116 -0.868 5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.078 1.044 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.707 2.707 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.895 2.002 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.196 -1.354 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.683 -0.445 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.834 0.384 4.309 1.00 0.00 H new ATOM 230 N SER A 17 9.646 1.345 3.032 1.00 0.00 N ATOM 231 CA SER A 17 9.687 0.801 1.679 1.00 0.00 C ATOM 232 C SER A 17 8.609 -0.261 1.488 1.00 0.00 C ATOM 233 O SER A 17 8.473 -1.176 2.302 1.00 0.00 O ATOM 234 CB SER A 17 11.064 0.206 1.378 1.00 0.00 C ATOM 235 OG SER A 17 10.947 -1.051 0.733 1.00 0.00 O ATOM 0 H SER A 17 8.712 1.386 3.439 1.00 0.00 H new ATOM 0 HA SER A 17 9.497 1.619 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.629 0.891 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.625 0.091 2.306 1.00 0.00 H new ATOM 0 HG SER A 17 11.462 -1.040 -0.101 1.00 0.00 H new ATOM 241 N ARG A 18 7.844 -0.136 0.408 1.00 0.00 N ATOM 242 CA ARG A 18 6.780 -1.082 0.113 1.00 0.00 C ATOM 243 C ARG A 18 7.330 -2.500 0.013 1.00 0.00 C ATOM 244 O ARG A 18 6.598 -3.472 0.209 1.00 0.00 O ATOM 245 CB ARG A 18 6.076 -0.702 -1.191 1.00 0.00 C ATOM 246 CG ARG A 18 6.803 -1.182 -2.436 1.00 0.00 C ATOM 247 CD ARG A 18 7.721 -0.105 -2.995 1.00 0.00 C ATOM 248 NE ARG A 18 9.096 -0.575 -3.128 1.00 0.00 N ATOM 249 CZ ARG A 18 10.121 0.221 -3.419 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.923 1.519 -3.607 1.00 0.00 N ATOM 251 NH2 ARG A 18 11.344 -0.280 -3.523 1.00 0.00 N ATOM 0 H ARG A 18 7.944 0.613 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 18 6.058 -1.046 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.069 -1.118 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.973 0.382 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.386 -2.071 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.076 -1.472 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.352 0.217 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.697 0.767 -2.341 1.00 0.00 H new ATOM 0 HE ARG A 18 9.281 -1.569 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.983 1.908 -3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.710 2.128 -3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.500 -1.278 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.129 0.332 -3.746 1.00 0.00 H new ATOM 265 N ASP A 19 8.622 -2.617 -0.284 1.00 0.00 N ATOM 266 CA ASP A 19 9.245 -3.930 -0.396 1.00 0.00 C ATOM 267 C ASP A 19 9.235 -4.616 0.960 1.00 0.00 C ATOM 268 O ASP A 19 8.937 -5.809 1.074 1.00 0.00 O ATOM 269 CB ASP A 19 10.681 -3.802 -0.912 1.00 0.00 C ATOM 270 CG ASP A 19 10.740 -3.255 -2.324 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.668 -2.948 -2.887 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.858 -3.135 -2.868 1.00 0.00 O ATOM 0 H ASP A 19 9.249 -1.830 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 19 8.678 -4.530 -1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.246 -3.148 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.163 -4.779 -0.883 1.00 0.00 H new ATOM 277 N LYS A 20 9.506 -3.831 1.991 1.00 0.00 N ATOM 278 CA LYS A 20 9.482 -4.332 3.355 1.00 0.00 C ATOM 279 C LYS A 20 8.043 -4.558 3.747 1.00 0.00 C ATOM 280 O LYS A 20 7.695 -5.550 4.387 1.00 0.00 O ATOM 281 CB LYS A 20 10.148 -3.342 4.306 1.00 0.00 C ATOM 282 CG LYS A 20 11.565 -2.990 3.899 1.00 0.00 C ATOM 283 CD LYS A 20 11.787 -1.490 3.888 1.00 0.00 C ATOM 284 CE LYS A 20 13.121 -1.129 3.257 1.00 0.00 C ATOM 285 NZ LYS A 20 13.687 0.123 3.827 1.00 0.00 N ATOM 0 H LYS A 20 9.745 -2.843 1.908 1.00 0.00 H new ATOM 0 HA LYS A 20 10.038 -5.268 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.551 -2.431 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.159 -3.764 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.269 -3.457 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.771 -3.396 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.980 -1.006 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.751 -1.108 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.826 -1.947 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.993 -1.012 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.666 0.243 3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.115 0.935 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.676 0.068 4.865 1.00 0.00 H new ATOM 299 N ALA A 21 7.204 -3.634 3.307 1.00 0.00 N ATOM 300 CA ALA A 21 5.783 -3.724 3.554 1.00 0.00 C ATOM 301 C ALA A 21 5.263 -5.002 2.921 1.00 0.00 C ATOM 302 O ALA A 21 4.592 -5.812 3.567 1.00 0.00 O ATOM 303 CB ALA A 21 5.079 -2.505 2.984 1.00 0.00 C ATOM 0 H ALA A 21 7.489 -2.812 2.775 1.00 0.00 H new ATOM 0 HA ALA A 21 5.586 -3.750 4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.008 -2.581 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.469 -1.605 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.254 -2.453 1.909 1.00 0.00 H new ATOM 309 N GLU A 22 5.628 -5.199 1.657 1.00 0.00 N ATOM 310 CA GLU A 22 5.245 -6.399 0.941 1.00 0.00 C ATOM 311 C GLU A 22 5.897 -7.593 1.612 1.00 0.00 C ATOM 312 O GLU A 22 5.232 -8.576 1.952 1.00 0.00 O ATOM 313 CB GLU A 22 5.670 -6.305 -0.527 1.00 0.00 C ATOM 314 CG GLU A 22 6.138 -7.625 -1.117 1.00 0.00 C ATOM 315 CD GLU A 22 7.106 -7.438 -2.268 1.00 0.00 C ATOM 316 OE1 GLU A 22 7.940 -6.512 -2.199 1.00 0.00 O ATOM 317 OE2 GLU A 22 7.029 -8.217 -3.242 1.00 0.00 O ATOM 0 H GLU A 22 6.187 -4.541 1.114 1.00 0.00 H new ATOM 0 HA GLU A 22 4.161 -6.513 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.831 -5.932 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.473 -5.573 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.616 -8.218 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.273 -8.191 -1.463 1.00 0.00 H new ATOM 324 N LYS A 23 7.202 -7.474 1.843 1.00 0.00 N ATOM 325 CA LYS A 23 7.947 -8.523 2.519 1.00 0.00 C ATOM 326 C LYS A 23 7.265 -8.842 3.834 1.00 0.00 C ATOM 327 O LYS A 23 7.086 -10.003 4.200 1.00 0.00 O ATOM 328 CB LYS A 23 9.392 -8.090 2.772 1.00 0.00 C ATOM 329 CG LYS A 23 9.665 -7.727 4.223 1.00 0.00 C ATOM 330 CD LYS A 23 10.961 -6.948 4.371 1.00 0.00 C ATOM 331 CE LYS A 23 10.826 -5.839 5.401 1.00 0.00 C ATOM 332 NZ LYS A 23 11.326 -6.258 6.739 1.00 0.00 N ATOM 0 H LYS A 23 7.760 -6.664 1.572 1.00 0.00 H new ATOM 0 HA LYS A 23 7.967 -9.409 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.063 -8.896 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.623 -7.232 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.837 -7.134 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.716 -8.636 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.763 -7.625 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.243 -6.521 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.380 -4.962 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.780 -5.544 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.216 -5.473 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.781 -7.079 7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.331 -6.516 6.669 1.00 0.00 H new ATOM 346 N LEU A 24 6.858 -7.786 4.526 1.00 0.00 N ATOM 347 CA LEU A 24 6.158 -7.926 5.791 1.00 0.00 C ATOM 348 C LEU A 24 4.788 -8.534 5.539 1.00 0.00 C ATOM 349 O LEU A 24 4.338 -9.410 6.276 1.00 0.00 O ATOM 350 CB LEU A 24 6.010 -6.569 6.480 1.00 0.00 C ATOM 351 CG LEU A 24 4.584 -6.014 6.516 1.00 0.00 C ATOM 352 CD1 LEU A 24 3.963 -6.225 7.886 1.00 0.00 C ATOM 353 CD2 LEU A 24 4.580 -4.538 6.148 1.00 0.00 C ATOM 0 H LEU A 24 7.002 -6.821 4.229 1.00 0.00 H new ATOM 0 HA LEU A 24 6.735 -8.579 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.376 -6.656 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.651 -5.849 5.972 1.00 0.00 H new ATOM 0 HG LEU A 24 3.985 -6.554 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.950 -5.824 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.933 -7.291 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.561 -5.712 8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.559 -4.158 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.194 -3.984 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.984 -4.412 5.144 1.00 0.00 H new ATOM 365 N LEU A 25 4.134 -8.067 4.477 1.00 0.00 N ATOM 366 CA LEU A 25 2.820 -8.572 4.115 1.00 0.00 C ATOM 367 C LEU A 25 2.892 -10.062 3.818 1.00 0.00 C ATOM 368 O LEU A 25 2.125 -10.853 4.366 1.00 0.00 O ATOM 369 CB LEU A 25 2.272 -7.825 2.901 1.00 0.00 C ATOM 370 CG LEU A 25 1.288 -6.697 3.217 1.00 0.00 C ATOM 371 CD1 LEU A 25 2.017 -5.493 3.790 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.516 -6.305 1.967 1.00 0.00 C ATOM 0 H LEU A 25 4.495 -7.342 3.857 1.00 0.00 H new ATOM 0 HA LEU A 25 2.147 -8.410 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.110 -7.408 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.778 -8.543 2.246 1.00 0.00 H new ATOM 0 HG LEU A 25 0.581 -7.056 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.299 -4.702 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.529 -5.781 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.747 -5.131 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.180 -5.501 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.213 -5.965 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.038 -7.167 1.596 1.00 0.00 H new ATOM 384 N LEU A 26 3.828 -10.444 2.957 1.00 0.00 N ATOM 385 CA LEU A 26 4.001 -11.852 2.609 1.00 0.00 C ATOM 386 C LEU A 26 4.408 -12.640 3.842 1.00 0.00 C ATOM 387 O LEU A 26 3.775 -13.633 4.202 1.00 0.00 O ATOM 388 CB LEU A 26 5.049 -12.034 1.508 1.00 0.00 C ATOM 389 CG LEU A 26 5.687 -10.746 0.994 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.953 -11.057 0.211 1.00 0.00 C ATOM 391 CD2 LEU A 26 4.700 -9.973 0.135 1.00 0.00 C ATOM 0 H LEU A 26 4.474 -9.807 2.490 1.00 0.00 H new ATOM 0 HA LEU A 26 3.049 -12.224 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.838 -12.685 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.583 -12.550 0.668 1.00 0.00 H new ATOM 0 HG LEU A 26 5.957 -10.126 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.396 -10.128 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.664 -11.571 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.708 -11.695 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.170 -9.057 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.401 -10.585 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.821 -9.721 0.728 1.00 0.00 H new ATOM 403 N ASP A 27 5.465 -12.178 4.487 1.00 0.00 N ATOM 404 CA ASP A 27 5.966 -12.817 5.696 1.00 0.00 C ATOM 405 C ASP A 27 4.912 -12.763 6.790 1.00 0.00 C ATOM 406 O ASP A 27 4.777 -13.688 7.592 1.00 0.00 O ATOM 407 CB ASP A 27 7.254 -12.139 6.168 1.00 0.00 C ATOM 408 CG ASP A 27 7.383 -12.137 7.679 1.00 0.00 C ATOM 409 OD1 ASP A 27 7.490 -13.232 8.267 1.00 0.00 O ATOM 410 OD2 ASP A 27 7.379 -11.038 8.272 1.00 0.00 O ATOM 0 H ASP A 27 5.997 -11.359 4.193 1.00 0.00 H new ATOM 0 HA ASP A 27 6.188 -13.860 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.112 -12.651 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.277 -11.112 5.802 1.00 0.00 H new ATOM 415 N THR A 28 4.159 -11.671 6.808 1.00 0.00 N ATOM 416 CA THR A 28 3.104 -11.483 7.791 1.00 0.00 C ATOM 417 C THR A 28 1.961 -12.449 7.532 1.00 0.00 C ATOM 418 O THR A 28 1.482 -13.127 8.442 1.00 0.00 O ATOM 419 CB THR A 28 2.591 -10.042 7.760 1.00 0.00 C ATOM 420 OG1 THR A 28 3.528 -9.164 8.358 1.00 0.00 O ATOM 421 CG2 THR A 28 1.270 -9.862 8.476 1.00 0.00 C ATOM 0 H THR A 28 4.261 -10.899 6.149 1.00 0.00 H new ATOM 0 HA THR A 28 3.517 -11.684 8.779 1.00 0.00 H new ATOM 0 HB THR A 28 2.448 -9.808 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.350 -9.150 7.824 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.963 -8.818 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.513 -10.490 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.381 -10.148 9.522 1.00 0.00 H new ATOM 429 N GLY A 29 1.535 -12.514 6.279 1.00 0.00 N ATOM 430 CA GLY A 29 0.457 -13.409 5.908 1.00 0.00 C ATOM 431 C GLY A 29 -0.869 -13.032 6.543 1.00 0.00 C ATOM 432 O GLY A 29 -1.467 -13.828 7.266 1.00 0.00 O ATOM 0 H GLY A 29 1.917 -11.962 5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.348 -13.408 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.718 -14.426 6.201 1.00 0.00 H new ATOM 436 N LYS A 30 -1.335 -11.821 6.259 1.00 0.00 N ATOM 437 CA LYS A 30 -2.606 -11.343 6.794 1.00 0.00 C ATOM 438 C LYS A 30 -3.637 -11.205 5.692 1.00 0.00 C ATOM 439 O LYS A 30 -3.310 -10.802 4.577 1.00 0.00 O ATOM 440 CB LYS A 30 -2.436 -9.979 7.461 1.00 0.00 C ATOM 441 CG LYS A 30 -2.093 -10.057 8.941 1.00 0.00 C ATOM 442 CD LYS A 30 -3.341 -10.085 9.811 1.00 0.00 C ATOM 443 CE LYS A 30 -4.548 -10.611 9.053 1.00 0.00 C ATOM 444 NZ LYS A 30 -5.437 -9.510 8.589 1.00 0.00 N ATOM 0 H LYS A 30 -0.852 -11.151 5.661 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.943 -12.076 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.650 -9.428 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.357 -9.409 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.499 -10.951 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.477 -9.201 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.160 -10.711 10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.551 -9.080 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.212 -11.192 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.113 -11.287 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.421 -9.725 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.147 -8.618 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.365 -9.417 7.556 1.00 0.00 H new ATOM 458 N GLU A 31 -4.890 -11.499 6.007 1.00 0.00 N ATOM 459 CA GLU A 31 -5.939 -11.350 5.021 1.00 0.00 C ATOM 460 C GLU A 31 -6.051 -9.877 4.667 1.00 0.00 C ATOM 461 O GLU A 31 -6.241 -9.032 5.541 1.00 0.00 O ATOM 462 CB GLU A 31 -7.271 -11.875 5.560 1.00 0.00 C ATOM 463 CG GLU A 31 -8.049 -12.707 4.554 1.00 0.00 C ATOM 464 CD GLU A 31 -9.516 -12.326 4.494 1.00 0.00 C ATOM 465 OE1 GLU A 31 -10.192 -12.405 5.540 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.987 -11.947 3.400 1.00 0.00 O ATOM 0 H GLU A 31 -5.197 -11.835 6.920 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.695 -11.931 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.082 -12.478 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.885 -11.030 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.605 -12.585 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.961 -13.762 4.815 1.00 0.00 H new ATOM 473 N GLY A 32 -5.915 -9.567 3.389 1.00 0.00 N ATOM 474 CA GLY A 32 -5.984 -8.191 2.959 1.00 0.00 C ATOM 475 C GLY A 32 -5.125 -7.279 3.801 1.00 0.00 C ATOM 476 O GLY A 32 -5.550 -6.185 4.167 1.00 0.00 O ATOM 0 H GLY A 32 -5.758 -10.244 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.669 -8.123 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.019 -7.852 3.002 1.00 0.00 H new ATOM 480 N ALA A 33 -3.905 -7.712 4.100 1.00 0.00 N ATOM 481 CA ALA A 33 -3.004 -6.887 4.894 1.00 0.00 C ATOM 482 C ALA A 33 -2.413 -5.799 4.016 1.00 0.00 C ATOM 483 O ALA A 33 -1.751 -6.095 3.019 1.00 0.00 O ATOM 484 CB ALA A 33 -1.904 -7.739 5.512 1.00 0.00 C ATOM 0 H ALA A 33 -3.523 -8.612 3.811 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.563 -6.424 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.241 -7.106 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.349 -8.497 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.333 -8.225 4.721 1.00 0.00 H new ATOM 490 N PHE A 34 -2.671 -4.541 4.358 1.00 0.00 N ATOM 491 CA PHE A 34 -2.165 -3.444 3.548 1.00 0.00 C ATOM 492 C PHE A 34 -1.332 -2.428 4.309 1.00 0.00 C ATOM 493 O PHE A 34 -1.381 -2.323 5.534 1.00 0.00 O ATOM 494 CB PHE A 34 -3.307 -2.731 2.831 1.00 0.00 C ATOM 495 CG PHE A 34 -4.427 -2.294 3.728 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.257 -1.259 4.635 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.666 -2.901 3.641 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.300 -0.841 5.432 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.709 -2.491 4.441 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.529 -1.459 5.338 1.00 0.00 C ATOM 0 H PHE A 34 -3.216 -4.261 5.173 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.494 -3.912 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.907 -1.857 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.709 -3.394 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.295 -0.775 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.818 -3.706 2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.155 -0.030 6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.670 -2.978 4.366 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.347 -1.136 5.964 1.00 0.00 H new ATOM 510 N MET A 35 -0.604 -1.653 3.518 1.00 0.00 N ATOM 511 CA MET A 35 0.241 -0.573 4.000 1.00 0.00 C ATOM 512 C MET A 35 0.328 0.469 2.896 1.00 0.00 C ATOM 513 O MET A 35 -0.040 0.190 1.759 1.00 0.00 O ATOM 514 CB MET A 35 1.637 -1.081 4.363 1.00 0.00 C ATOM 515 CG MET A 35 1.822 -2.573 4.146 1.00 0.00 C ATOM 516 SD MET A 35 2.086 -3.464 5.689 1.00 0.00 S ATOM 517 CE MET A 35 0.397 -3.777 6.191 1.00 0.00 C ATOM 0 H MET A 35 -0.585 -1.760 2.504 1.00 0.00 H new ATOM 0 HA MET A 35 -0.188 -0.143 4.905 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.375 -0.543 3.769 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.838 -0.848 5.409 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.943 -2.976 3.643 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.672 -2.738 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.392 -4.428 7.065 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.090 -2.834 6.439 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.141 -4.260 5.375 1.00 0.00 H new ATOM 527 N VAL A 36 0.794 1.666 3.204 1.00 0.00 N ATOM 528 CA VAL A 36 0.890 2.694 2.182 1.00 0.00 C ATOM 529 C VAL A 36 2.176 3.495 2.319 1.00 0.00 C ATOM 530 O VAL A 36 2.529 3.941 3.405 1.00 0.00 O ATOM 531 CB VAL A 36 -0.334 3.626 2.210 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.620 2.807 2.143 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.307 4.507 3.449 1.00 0.00 C ATOM 0 H VAL A 36 1.106 1.947 4.133 1.00 0.00 H new ATOM 0 HA VAL A 36 0.909 2.189 1.216 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.300 4.278 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.480 3.477 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.634 2.227 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.666 2.131 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.180 5.159 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.320 3.881 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.599 5.114 3.444 1.00 0.00 H new ATOM 543 N ARG A 37 2.888 3.640 1.208 1.00 0.00 N ATOM 544 CA ARG A 37 4.147 4.344 1.178 1.00 0.00 C ATOM 545 C ARG A 37 4.131 5.490 0.178 1.00 0.00 C ATOM 546 O ARG A 37 3.516 5.393 -0.887 1.00 0.00 O ATOM 547 CB ARG A 37 5.243 3.362 0.798 1.00 0.00 C ATOM 548 CG ARG A 37 5.440 2.263 1.817 1.00 0.00 C ATOM 549 CD ARG A 37 6.889 2.168 2.223 1.00 0.00 C ATOM 550 NE ARG A 37 7.131 2.755 3.536 1.00 0.00 N ATOM 551 CZ ARG A 37 6.988 4.051 3.802 1.00 0.00 C ATOM 552 NH1 ARG A 37 6.662 4.901 2.840 1.00 0.00 N ATOM 553 NH2 ARG A 37 7.191 4.506 5.027 1.00 0.00 N ATOM 0 H ARG A 37 2.600 3.268 0.303 1.00 0.00 H new ATOM 0 HA ARG A 37 4.327 4.768 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.002 2.915 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.180 3.904 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.823 2.458 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.110 1.311 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.194 1.122 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.507 2.674 1.481 1.00 0.00 H new ATOM 0 HE ARG A 37 7.426 2.138 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.519 4.564 1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.554 5.893 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.458 3.863 5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.080 5.500 5.227 1.00 0.00 H new ATOM 567 N ASP A 38 4.835 6.562 0.513 1.00 0.00 N ATOM 568 CA ASP A 38 4.931 7.710 -0.375 1.00 0.00 C ATOM 569 C ASP A 38 6.135 7.538 -1.297 1.00 0.00 C ATOM 570 O ASP A 38 7.281 7.632 -0.860 1.00 0.00 O ATOM 571 CB ASP A 38 5.066 9.004 0.432 1.00 0.00 C ATOM 572 CG ASP A 38 6.175 8.931 1.462 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.879 7.899 1.505 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.341 9.904 2.227 1.00 0.00 O ATOM 0 H ASP A 38 5.346 6.660 1.390 1.00 0.00 H new ATOM 0 HA ASP A 38 4.022 7.774 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.259 9.834 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.122 9.216 0.934 1.00 0.00 H new ATOM 579 N SER A 39 5.867 7.270 -2.569 1.00 0.00 N ATOM 580 CA SER A 39 6.932 7.065 -3.544 1.00 0.00 C ATOM 581 C SER A 39 7.366 8.384 -4.171 1.00 0.00 C ATOM 582 O SER A 39 7.049 9.459 -3.664 1.00 0.00 O ATOM 583 CB SER A 39 6.473 6.095 -4.633 1.00 0.00 C ATOM 584 OG SER A 39 5.886 6.790 -5.721 1.00 0.00 O ATOM 0 H SER A 39 4.924 7.190 -2.949 1.00 0.00 H new ATOM 0 HA SER A 39 7.788 6.638 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.323 5.511 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.753 5.390 -4.217 1.00 0.00 H new ATOM 0 HG SER A 39 6.008 6.272 -6.544 1.00 0.00 H new ATOM 590 N ARG A 40 8.078 8.293 -5.293 1.00 0.00 N ATOM 591 CA ARG A 40 8.529 9.473 -5.996 1.00 0.00 C ATOM 592 C ARG A 40 7.321 10.253 -6.456 1.00 0.00 C ATOM 593 O ARG A 40 7.043 11.332 -5.942 1.00 0.00 O ATOM 594 CB ARG A 40 9.405 9.089 -7.191 1.00 0.00 C ATOM 595 CG ARG A 40 10.836 8.749 -6.812 1.00 0.00 C ATOM 596 CD ARG A 40 10.940 7.347 -6.233 1.00 0.00 C ATOM 597 NE ARG A 40 12.044 7.227 -5.283 1.00 0.00 N ATOM 598 CZ ARG A 40 11.890 7.289 -3.965 1.00 0.00 C ATOM 599 NH1 ARG A 40 10.684 7.467 -3.443 1.00 0.00 N ATOM 600 NH2 ARG A 40 12.942 7.170 -3.166 1.00 0.00 N ATOM 0 H ARG A 40 8.350 7.411 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 40 9.132 10.087 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.959 8.233 -7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.413 9.913 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.475 8.829 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.203 9.473 -6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.005 7.090 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.079 6.630 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 40 12.985 7.088 -5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.872 7.557 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.568 7.514 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.871 7.031 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.822 7.218 -2.154 1.00 0.00 H new ATOM 614 N THR A 41 6.580 9.674 -7.401 1.00 0.00 N ATOM 615 CA THR A 41 5.371 10.311 -7.903 1.00 0.00 C ATOM 616 C THR A 41 4.804 11.206 -6.815 1.00 0.00 C ATOM 617 O THR A 41 3.858 10.843 -6.117 1.00 0.00 O ATOM 618 CB THR A 41 4.339 9.258 -8.317 1.00 0.00 C ATOM 619 OG1 THR A 41 3.029 9.792 -8.267 1.00 0.00 O ATOM 620 CG2 THR A 41 4.364 8.019 -7.446 1.00 0.00 C ATOM 0 H THR A 41 6.796 8.773 -7.828 1.00 0.00 H new ATOM 0 HA THR A 41 5.612 10.907 -8.783 1.00 0.00 H new ATOM 0 HB THR A 41 4.610 8.973 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.940 10.367 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.609 7.314 -7.794 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.348 7.554 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.153 8.296 -6.413 1.00 0.00 H new ATOM 628 N PRO A 42 5.418 12.377 -6.635 1.00 0.00 N ATOM 629 CA PRO A 42 5.030 13.338 -5.599 1.00 0.00 C ATOM 630 C PRO A 42 3.637 13.906 -5.821 1.00 0.00 C ATOM 631 O PRO A 42 3.458 14.918 -6.501 1.00 0.00 O ATOM 632 CB PRO A 42 6.112 14.421 -5.705 1.00 0.00 C ATOM 633 CG PRO A 42 7.241 13.737 -6.402 1.00 0.00 C ATOM 634 CD PRO A 42 6.576 12.855 -7.403 1.00 0.00 C ATOM 0 HA PRO A 42 4.972 12.884 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.759 15.284 -6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.411 14.784 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.905 14.455 -6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.848 13.160 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.279 13.400 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.222 12.038 -7.726 1.00 0.00 H new ATOM 642 N GLY A 43 2.657 13.235 -5.233 1.00 0.00 N ATOM 643 CA GLY A 43 1.277 13.651 -5.353 1.00 0.00 C ATOM 644 C GLY A 43 0.336 12.655 -4.711 1.00 0.00 C ATOM 645 O GLY A 43 -0.699 13.030 -4.160 1.00 0.00 O ATOM 0 H GLY A 43 2.798 12.398 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.149 14.627 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.022 13.767 -6.406 1.00 0.00 H new ATOM 649 N THR A 44 0.697 11.374 -4.785 1.00 0.00 N ATOM 650 CA THR A 44 -0.117 10.320 -4.216 1.00 0.00 C ATOM 651 C THR A 44 0.692 9.427 -3.278 1.00 0.00 C ATOM 652 O THR A 44 1.897 9.610 -3.104 1.00 0.00 O ATOM 653 CB THR A 44 -0.716 9.472 -5.330 1.00 0.00 C ATOM 654 OG1 THR A 44 -0.808 8.116 -4.930 1.00 0.00 O ATOM 655 CG2 THR A 44 0.080 9.519 -6.614 1.00 0.00 C ATOM 0 H THR A 44 1.552 11.049 -5.236 1.00 0.00 H new ATOM 0 HA THR A 44 -0.911 10.790 -3.636 1.00 0.00 H new ATOM 0 HB THR A 44 -1.701 9.897 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.359 7.622 -5.572 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.403 8.893 -7.364 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.128 10.546 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.090 9.151 -6.430 1.00 0.00 H new ATOM 663 N TYR A 45 0.007 8.454 -2.688 1.00 0.00 N ATOM 664 CA TYR A 45 0.629 7.502 -1.775 1.00 0.00 C ATOM 665 C TYR A 45 0.375 6.082 -2.263 1.00 0.00 C ATOM 666 O TYR A 45 -0.689 5.788 -2.807 1.00 0.00 O ATOM 667 CB TYR A 45 0.077 7.679 -0.358 1.00 0.00 C ATOM 668 CG TYR A 45 0.516 8.963 0.308 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.798 9.094 0.830 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.349 10.043 0.415 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.203 10.266 1.440 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.049 11.219 1.023 1.00 0.00 C ATOM 673 CZ TYR A 45 1.325 11.325 1.535 1.00 0.00 C ATOM 674 OH TYR A 45 1.724 12.494 2.142 1.00 0.00 O ATOM 0 H TYR A 45 -0.992 8.303 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 45 1.703 7.687 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.012 7.653 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.395 6.835 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.488 8.267 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.350 9.963 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.202 10.352 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.636 12.051 1.097 1.00 0.00 H new ATOM 0 HH TYR A 45 0.955 12.914 2.580 1.00 0.00 H new ATOM 684 N THR A 46 1.354 5.204 -2.085 1.00 0.00 N ATOM 685 CA THR A 46 1.214 3.824 -2.533 1.00 0.00 C ATOM 686 C THR A 46 0.784 2.922 -1.388 1.00 0.00 C ATOM 687 O THR A 46 1.279 3.045 -0.269 1.00 0.00 O ATOM 688 CB THR A 46 2.525 3.328 -3.135 1.00 0.00 C ATOM 689 OG1 THR A 46 2.278 2.473 -4.237 1.00 0.00 O ATOM 690 CG2 THR A 46 3.387 2.571 -2.150 1.00 0.00 C ATOM 0 H THR A 46 2.245 5.419 -1.638 1.00 0.00 H new ATOM 0 HA THR A 46 0.440 3.792 -3.300 1.00 0.00 H new ATOM 0 HB THR A 46 3.060 4.226 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.352 2.154 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.304 2.247 -2.643 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.636 3.220 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.843 1.700 -1.785 1.00 0.00 H new ATOM 698 N VAL A 47 -0.155 2.027 -1.675 1.00 0.00 N ATOM 699 CA VAL A 47 -0.671 1.113 -0.671 1.00 0.00 C ATOM 700 C VAL A 47 -0.283 -0.335 -0.956 1.00 0.00 C ATOM 701 O VAL A 47 -0.673 -0.899 -1.977 1.00 0.00 O ATOM 702 CB VAL A 47 -2.208 1.195 -0.583 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.721 0.375 0.591 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.667 2.643 -0.477 1.00 0.00 C ATOM 0 H VAL A 47 -0.573 1.917 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.225 1.420 0.275 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.626 0.776 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.808 0.445 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.430 -0.667 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.293 0.759 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.755 2.676 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.239 3.096 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.336 3.195 -1.357 1.00 0.00 H new ATOM 714 N SER A 48 0.458 -0.936 -0.025 1.00 0.00 N ATOM 715 CA SER A 48 0.871 -2.330 -0.142 1.00 0.00 C ATOM 716 C SER A 48 -0.153 -3.215 0.564 1.00 0.00 C ATOM 717 O SER A 48 -0.317 -3.122 1.779 1.00 0.00 O ATOM 718 CB SER A 48 2.265 -2.539 0.469 1.00 0.00 C ATOM 719 OG SER A 48 2.946 -3.604 -0.168 1.00 0.00 O ATOM 0 H SER A 48 0.785 -0.473 0.823 1.00 0.00 H new ATOM 0 HA SER A 48 0.923 -2.599 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.848 -1.623 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.171 -2.749 1.534 1.00 0.00 H new ATOM 0 HG SER A 48 2.356 -4.020 -0.831 1.00 0.00 H new ATOM 725 N VAL A 49 -0.861 -4.047 -0.204 1.00 0.00 N ATOM 726 CA VAL A 49 -1.882 -4.914 0.365 1.00 0.00 C ATOM 727 C VAL A 49 -1.598 -6.387 0.131 1.00 0.00 C ATOM 728 O VAL A 49 -1.037 -6.774 -0.895 1.00 0.00 O ATOM 729 CB VAL A 49 -3.271 -4.597 -0.204 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.358 -4.954 0.800 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.353 -3.135 -0.618 1.00 0.00 C ATOM 0 H VAL A 49 -0.744 -4.135 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.862 -4.718 1.437 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.432 -5.206 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.335 -4.721 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.306 -6.018 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.212 -4.378 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.344 -2.926 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.172 -2.500 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.602 -2.930 -1.381 1.00 0.00 H new ATOM 741 N PHE A 50 -2.018 -7.203 1.090 1.00 0.00 N ATOM 742 CA PHE A 50 -1.841 -8.645 1.004 1.00 0.00 C ATOM 743 C PHE A 50 -3.174 -9.354 1.193 1.00 0.00 C ATOM 744 O PHE A 50 -3.802 -9.244 2.252 1.00 0.00 O ATOM 745 CB PHE A 50 -0.844 -9.140 2.050 1.00 0.00 C ATOM 746 CG PHE A 50 -0.879 -10.631 2.235 1.00 0.00 C ATOM 747 CD1 PHE A 50 -0.587 -11.479 1.179 1.00 0.00 C ATOM 748 CD2 PHE A 50 -1.210 -11.182 3.460 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.623 -12.850 1.342 1.00 0.00 C ATOM 750 CE2 PHE A 50 -1.248 -12.554 3.629 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.953 -13.387 2.570 1.00 0.00 C ATOM 0 H PHE A 50 -2.486 -6.887 1.940 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.447 -8.874 0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.162 -8.839 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.056 -8.656 3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.328 -11.063 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.441 -10.534 4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.394 -13.500 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.509 -12.973 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.980 -14.459 2.702 1.00 0.00 H new ATOM 761 N THR A 51 -3.596 -10.076 0.160 1.00 0.00 N ATOM 762 CA THR A 51 -4.852 -10.808 0.195 1.00 0.00 C ATOM 763 C THR A 51 -4.610 -12.307 0.319 1.00 0.00 C ATOM 764 O THR A 51 -3.750 -12.863 -0.364 1.00 0.00 O ATOM 765 CB THR A 51 -5.686 -10.512 -1.054 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.350 -11.680 -1.501 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.873 -9.977 -2.213 1.00 0.00 C ATOM 0 H THR A 51 -3.081 -10.168 -0.716 1.00 0.00 H new ATOM 0 HA THR A 51 -5.405 -10.475 1.073 1.00 0.00 H new ATOM 0 HB THR A 51 -6.395 -9.743 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.879 -11.470 -2.299 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.530 -9.790 -3.063 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.388 -9.047 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.115 -10.708 -2.494 1.00 0.00 H new ATOM 775 N LYS A 52 -5.370 -12.957 1.195 1.00 0.00 N ATOM 776 CA LYS A 52 -5.229 -14.393 1.402 1.00 0.00 C ATOM 777 C LYS A 52 -5.833 -15.171 0.240 1.00 0.00 C ATOM 778 O LYS A 52 -7.047 -15.156 0.032 1.00 0.00 O ATOM 779 CB LYS A 52 -5.900 -14.809 2.711 1.00 0.00 C ATOM 780 CG LYS A 52 -5.011 -15.653 3.610 1.00 0.00 C ATOM 781 CD LYS A 52 -4.618 -14.899 4.870 1.00 0.00 C ATOM 782 CE LYS A 52 -3.436 -13.975 4.619 1.00 0.00 C ATOM 783 NZ LYS A 52 -3.678 -13.062 3.469 1.00 0.00 N ATOM 0 H LYS A 52 -6.086 -12.514 1.770 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.165 -14.624 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.205 -13.914 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.807 -15.369 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.533 -16.571 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.114 -15.946 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.467 -14.317 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.365 -15.610 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.239 -13.386 5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.544 -14.571 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.232 -12.141 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.270 -13.475 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.702 -12.931 3.339 1.00 0.00 H new ATOM 797 N ALA A 53 -4.976 -15.850 -0.514 1.00 0.00 N ATOM 798 CA ALA A 53 -5.416 -16.638 -1.652 1.00 0.00 C ATOM 799 C ALA A 53 -5.365 -18.130 -1.342 1.00 0.00 C ATOM 800 O ALA A 53 -4.358 -18.637 -0.847 1.00 0.00 O ATOM 801 CB ALA A 53 -4.568 -16.322 -2.876 1.00 0.00 C ATOM 0 H ALA A 53 -3.969 -15.868 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.452 -16.373 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.910 -16.921 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.661 -15.264 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.524 -16.555 -2.666 1.00 0.00 H new ATOM 807 N ILE A 54 -6.454 -18.830 -1.638 1.00 0.00 N ATOM 808 CA ILE A 54 -6.525 -20.265 -1.393 1.00 0.00 C ATOM 809 C ILE A 54 -5.815 -21.041 -2.498 1.00 0.00 C ATOM 810 O ILE A 54 -5.734 -20.580 -3.636 1.00 0.00 O ATOM 811 CB ILE A 54 -7.985 -20.748 -1.291 1.00 0.00 C ATOM 812 CG1 ILE A 54 -8.263 -21.836 -2.332 1.00 0.00 C ATOM 813 CG2 ILE A 54 -8.944 -19.581 -1.469 1.00 0.00 C ATOM 814 CD1 ILE A 54 -8.168 -21.344 -3.760 1.00 0.00 C ATOM 0 H ILE A 54 -7.298 -18.428 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.026 -20.452 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.140 -21.173 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.556 -22.653 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.259 -22.244 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.971 -19.939 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.761 -18.838 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.788 -19.128 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.377 -22.167 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.895 -20.547 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.164 -20.963 -3.947 1.00 0.00 H new ATOM 826 N ILE A 55 -5.306 -22.220 -2.156 1.00 0.00 N ATOM 827 CA ILE A 55 -4.607 -23.064 -3.119 1.00 0.00 C ATOM 828 C ILE A 55 -3.104 -23.092 -2.854 1.00 0.00 C ATOM 829 O ILE A 55 -2.562 -22.217 -2.180 1.00 0.00 O ATOM 830 CB ILE A 55 -4.854 -22.591 -4.563 1.00 0.00 C ATOM 831 CG1 ILE A 55 -4.709 -23.763 -5.539 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.896 -21.466 -4.924 1.00 0.00 C ATOM 833 CD1 ILE A 55 -3.349 -23.841 -6.197 1.00 0.00 C ATOM 0 H ILE A 55 -5.365 -22.614 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.007 -24.071 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.872 -22.208 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.899 -24.694 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.473 -23.677 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.084 -21.143 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.048 -20.627 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.869 -21.821 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.321 -24.695 -6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.164 -22.926 -6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.581 -23.959 -5.432 1.00 0.00 H new ATOM 845 N SER A 56 -2.441 -24.111 -3.392 1.00 0.00 N ATOM 846 CA SER A 56 -1.000 -24.275 -3.225 1.00 0.00 C ATOM 847 C SER A 56 -0.238 -23.061 -3.749 1.00 0.00 C ATOM 848 O SER A 56 0.885 -22.792 -3.320 1.00 0.00 O ATOM 849 CB SER A 56 -0.527 -25.537 -3.948 1.00 0.00 C ATOM 850 OG SER A 56 -1.483 -26.578 -3.838 1.00 0.00 O ATOM 0 H SER A 56 -2.882 -24.841 -3.951 1.00 0.00 H new ATOM 0 HA SER A 56 -0.795 -24.370 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.349 -25.312 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.423 -25.866 -3.527 1.00 0.00 H new ATOM 0 HG SER A 56 -1.157 -27.373 -4.310 1.00 0.00 H new ATOM 856 N GLU A 57 -0.844 -22.339 -4.686 1.00 0.00 N ATOM 857 CA GLU A 57 -0.208 -21.164 -5.274 1.00 0.00 C ATOM 858 C GLU A 57 0.072 -20.101 -4.216 1.00 0.00 C ATOM 859 O GLU A 57 0.855 -19.179 -4.444 1.00 0.00 O ATOM 860 CB GLU A 57 -1.095 -20.579 -6.375 1.00 0.00 C ATOM 861 CG GLU A 57 -0.596 -19.250 -6.918 1.00 0.00 C ATOM 862 CD GLU A 57 -1.132 -18.065 -6.138 1.00 0.00 C ATOM 863 OE1 GLU A 57 -1.945 -18.279 -5.216 1.00 0.00 O ATOM 864 OE2 GLU A 57 -0.738 -16.921 -6.452 1.00 0.00 O ATOM 0 H GLU A 57 -1.772 -22.546 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 57 0.743 -21.477 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.162 -21.295 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.104 -20.446 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.494 -19.236 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.889 -19.155 -7.963 1.00 0.00 H new ATOM 871 N ASN A 58 -0.562 -20.239 -3.057 1.00 0.00 N ATOM 872 CA ASN A 58 -0.369 -19.291 -1.964 1.00 0.00 C ATOM 873 C ASN A 58 -1.272 -18.073 -2.128 1.00 0.00 C ATOM 874 O ASN A 58 -2.077 -18.003 -3.057 1.00 0.00 O ATOM 875 CB ASN A 58 1.094 -18.849 -1.896 1.00 0.00 C ATOM 876 CG ASN A 58 1.731 -19.166 -0.557 1.00 0.00 C ATOM 877 OD1 ASN A 58 2.540 -18.394 -0.043 1.00 0.00 O ATOM 878 ND2 ASN A 58 1.368 -20.308 0.015 1.00 0.00 N ATOM 0 H ASN A 58 -1.213 -20.996 -2.849 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.635 -19.793 -1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.657 -19.341 -2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.156 -17.776 -2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.763 -20.575 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.694 -20.918 -0.447 1.00 0.00 H new ATOM 885 N PRO A 59 -1.150 -17.097 -1.215 1.00 0.00 N ATOM 886 CA PRO A 59 -1.955 -15.876 -1.243 1.00 0.00 C ATOM 887 C PRO A 59 -1.453 -14.859 -2.262 1.00 0.00 C ATOM 888 O PRO A 59 -0.359 -14.996 -2.809 1.00 0.00 O ATOM 889 CB PRO A 59 -1.800 -15.333 0.175 1.00 0.00 C ATOM 890 CG PRO A 59 -0.447 -15.789 0.600 1.00 0.00 C ATOM 891 CD PRO A 59 -0.215 -17.117 -0.074 1.00 0.00 C ATOM 0 HA PRO A 59 -2.986 -16.074 -1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.877 -14.246 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.576 -15.720 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.316 -15.067 0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.393 -15.889 1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.818 -17.223 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.422 -17.949 0.599 1.00 0.00 H new ATOM 899 N CYS A 60 -2.266 -13.837 -2.510 1.00 0.00 N ATOM 900 CA CYS A 60 -1.918 -12.787 -3.457 1.00 0.00 C ATOM 901 C CYS A 60 -1.785 -11.444 -2.750 1.00 0.00 C ATOM 902 O CYS A 60 -2.739 -10.948 -2.153 1.00 0.00 O ATOM 903 CB CYS A 60 -2.975 -12.695 -4.560 1.00 0.00 C ATOM 904 SG CYS A 60 -2.411 -13.288 -6.174 1.00 0.00 S ATOM 0 H CYS A 60 -3.175 -13.715 -2.065 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.957 -13.039 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.850 -13.271 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.294 -11.657 -4.657 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.374 -13.172 -7.040 1.00 0.00 H new ATOM 910 N ILE A 61 -0.597 -10.864 -2.821 1.00 0.00 N ATOM 911 CA ILE A 61 -0.330 -9.578 -2.191 1.00 0.00 C ATOM 912 C ILE A 61 -0.142 -8.494 -3.250 1.00 0.00 C ATOM 913 O ILE A 61 0.591 -8.691 -4.220 1.00 0.00 O ATOM 914 CB ILE A 61 0.921 -9.663 -1.302 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.387 -8.270 -0.889 1.00 0.00 C ATOM 916 CG2 ILE A 61 2.025 -10.415 -2.025 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.382 -8.287 0.251 1.00 0.00 C ATOM 0 H ILE A 61 0.202 -11.265 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.187 -9.319 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 61 0.668 -10.211 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.838 -7.775 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.521 -7.676 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.907 -10.469 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.685 -11.423 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.277 -9.893 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.673 -7.265 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.927 -8.754 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.264 -8.854 -0.045 1.00 0.00 H new ATOM 929 N LYS A 62 -0.821 -7.360 -3.083 1.00 0.00 N ATOM 930 CA LYS A 62 -0.723 -6.279 -4.063 1.00 0.00 C ATOM 931 C LYS A 62 -0.749 -4.892 -3.419 1.00 0.00 C ATOM 932 O LYS A 62 -1.420 -4.663 -2.411 1.00 0.00 O ATOM 933 CB LYS A 62 -1.863 -6.395 -5.076 1.00 0.00 C ATOM 934 CG LYS A 62 -1.497 -5.911 -6.468 1.00 0.00 C ATOM 935 CD LYS A 62 -2.735 -5.718 -7.329 1.00 0.00 C ATOM 936 CE LYS A 62 -3.947 -5.351 -6.488 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.988 -4.650 -7.287 1.00 0.00 N ATOM 0 H LYS A 62 -1.435 -7.167 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 62 0.241 -6.386 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.180 -7.436 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.717 -5.822 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.951 -4.970 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.830 -6.631 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.550 -4.934 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.940 -6.633 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.372 -6.255 -6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.635 -4.714 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.072 -3.666 -6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.720 -4.660 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.901 -5.133 -7.168 1.00 0.00 H new ATOM 951 N HIS A 63 -0.016 -3.967 -4.036 1.00 0.00 N ATOM 952 CA HIS A 63 0.057 -2.583 -3.578 1.00 0.00 C ATOM 953 C HIS A 63 -0.438 -1.639 -4.673 1.00 0.00 C ATOM 954 O HIS A 63 -0.254 -1.916 -5.858 1.00 0.00 O ATOM 955 CB HIS A 63 1.496 -2.227 -3.198 1.00 0.00 C ATOM 956 CG HIS A 63 2.334 -3.415 -2.841 1.00 0.00 C ATOM 957 ND1 HIS A 63 1.914 -4.430 -2.010 1.00 0.00 N ATOM 958 CD2 HIS A 63 3.593 -3.744 -3.227 1.00 0.00 C ATOM 959 CE1 HIS A 63 2.909 -5.324 -1.916 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.949 -4.953 -2.638 1.00 0.00 N ATOM 0 H HIS A 63 0.544 -4.157 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.579 -2.473 -2.700 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.963 -1.701 -4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.480 -1.538 -2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.219 -3.160 -3.886 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.865 -6.228 -1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.833 -5.451 -2.743 1.00 0.00 H new ATOM 968 N TYR A 64 -1.054 -0.522 -4.289 1.00 0.00 N ATOM 969 CA TYR A 64 -1.548 0.439 -5.276 1.00 0.00 C ATOM 970 C TYR A 64 -1.300 1.881 -4.844 1.00 0.00 C ATOM 971 O TYR A 64 -1.507 2.239 -3.684 1.00 0.00 O ATOM 972 CB TYR A 64 -3.043 0.242 -5.542 1.00 0.00 C ATOM 973 CG TYR A 64 -3.728 -0.693 -4.580 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.305 -2.007 -4.436 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.807 -0.264 -3.818 1.00 0.00 C ATOM 976 CE1 TYR A 64 -3.937 -2.867 -3.560 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.442 -1.114 -2.938 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.004 -2.416 -2.813 1.00 0.00 C ATOM 979 OH TYR A 64 -5.637 -3.268 -1.939 1.00 0.00 O ATOM 0 H TYR A 64 -1.222 -0.262 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.990 0.252 -6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.538 1.212 -5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.172 -0.139 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.468 -2.363 -5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.155 0.754 -3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.597 -3.887 -3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.277 -0.763 -2.350 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.402 -3.026 -1.019 1.00 0.00 H new ATOM 989 N HIS A 65 -0.875 2.708 -5.797 1.00 0.00 N ATOM 990 CA HIS A 65 -0.622 4.119 -5.535 1.00 0.00 C ATOM 991 C HIS A 65 -1.928 4.896 -5.615 1.00 0.00 C ATOM 992 O HIS A 65 -2.567 4.938 -6.666 1.00 0.00 O ATOM 993 CB HIS A 65 0.385 4.686 -6.540 1.00 0.00 C ATOM 994 CG HIS A 65 1.109 5.902 -6.044 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.625 6.168 -4.820 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 1.380 7.011 -6.815 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 2.212 7.429 -4.831 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 2.039 7.892 -6.052 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.699 2.422 -6.760 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.201 4.217 -4.535 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.114 3.914 -6.785 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.137 4.936 -7.463 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.109 7.146 -7.852 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.707 7.925 -4.009 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.365 8.803 -6.374 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.329 5.504 -4.506 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.573 6.265 -4.484 1.00 0.00 C ATOM 1008 C ILE A 66 -3.561 7.330 -5.567 1.00 0.00 C ATOM 1009 O ILE A 66 -2.712 8.217 -5.571 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.830 6.924 -3.113 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.836 5.867 -2.005 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -5.150 7.683 -3.131 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.698 4.447 -2.512 1.00 0.00 C ATOM 0 H ILE A 66 -1.820 5.487 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.382 5.559 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.026 7.631 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.021 6.076 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.764 5.952 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.319 8.143 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.114 8.458 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.964 6.992 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.711 3.757 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.527 4.217 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.757 4.343 -3.052 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.502 7.230 -6.494 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.578 8.182 -7.589 1.00 0.00 C ATOM 1027 C LYS A 67 -5.361 9.417 -7.182 1.00 0.00 C ATOM 1028 O LYS A 67 -6.495 9.329 -6.714 1.00 0.00 O ATOM 1029 CB LYS A 67 -5.226 7.539 -8.816 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.621 6.198 -9.193 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.616 5.070 -8.990 1.00 0.00 C ATOM 1032 CE LYS A 67 -5.643 4.128 -10.183 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.008 4.008 -10.769 1.00 0.00 N ATOM 0 H LYS A 67 -5.218 6.504 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.561 8.482 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.291 7.407 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.135 8.220 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.301 6.221 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.732 6.015 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.356 4.512 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.611 5.486 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.952 4.488 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.293 3.143 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.408 3.078 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.618 4.757 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.952 4.105 -11.803 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.737 10.570 -7.373 1.00 0.00 N ATOM 1048 CA GLU A 68 -5.355 11.843 -7.046 1.00 0.00 C ATOM 1049 C GLU A 68 -5.691 12.593 -8.328 1.00 0.00 C ATOM 1050 O GLU A 68 -4.990 12.460 -9.330 1.00 0.00 O ATOM 1051 CB GLU A 68 -4.422 12.682 -6.173 1.00 0.00 C ATOM 1052 CG GLU A 68 -5.137 13.775 -5.394 1.00 0.00 C ATOM 1053 CD GLU A 68 -4.704 15.166 -5.811 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -3.542 15.534 -5.536 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -5.526 15.888 -6.413 1.00 0.00 O ATOM 0 H GLU A 68 -3.795 10.648 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.273 11.657 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.906 12.026 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.659 13.137 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.213 13.675 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.945 13.642 -4.329 1.00 0.00 H new ATOM 1062 N THR A 69 -6.756 13.382 -8.300 1.00 0.00 N ATOM 1063 CA THR A 69 -7.149 14.138 -9.475 1.00 0.00 C ATOM 1064 C THR A 69 -7.055 15.641 -9.218 1.00 0.00 C ATOM 1065 O THR A 69 -6.066 16.125 -8.668 1.00 0.00 O ATOM 1066 CB THR A 69 -8.562 13.761 -9.918 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.518 14.629 -9.342 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.942 12.340 -9.559 1.00 0.00 C ATOM 0 H THR A 69 -7.356 13.513 -7.485 1.00 0.00 H new ATOM 0 HA THR A 69 -6.457 13.885 -10.278 1.00 0.00 H new ATOM 0 HB THR A 69 -8.559 13.852 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.207 14.843 -10.005 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.957 12.137 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.251 11.646 -10.039 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.892 12.212 -8.478 1.00 0.00 H new ATOM 1076 N ASN A 70 -8.089 16.373 -9.620 1.00 0.00 N ATOM 1077 CA ASN A 70 -8.119 17.822 -9.432 1.00 0.00 C ATOM 1078 C ASN A 70 -9.326 18.231 -8.595 1.00 0.00 C ATOM 1079 O ASN A 70 -10.019 19.198 -8.914 1.00 0.00 O ATOM 1080 CB ASN A 70 -8.158 18.533 -10.786 1.00 0.00 C ATOM 1081 CG ASN A 70 -8.393 20.024 -10.649 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -9.643 20.443 -10.808 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -7.462 20.790 -10.402 1.00 0.00 N flip ATOM 0 H ASN A 70 -8.916 15.989 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.212 18.116 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.217 18.363 -11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.948 18.098 -11.399 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.517 20.424 -10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.635 21.791 -10.312 1.00 0.00 H new ATOM 1090 N ASP A 71 -9.574 17.482 -7.528 1.00 0.00 N ATOM 1091 CA ASP A 71 -10.701 17.755 -6.647 1.00 0.00 C ATOM 1092 C ASP A 71 -10.431 18.948 -5.738 1.00 0.00 C ATOM 1093 O ASP A 71 -10.325 20.083 -6.202 1.00 0.00 O ATOM 1094 CB ASP A 71 -11.021 16.529 -5.801 1.00 0.00 C ATOM 1095 CG ASP A 71 -12.331 16.673 -5.055 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -13.386 16.338 -5.634 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -12.304 17.123 -3.890 1.00 0.00 O ATOM 0 H ASP A 71 -9.008 16.679 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.556 17.997 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.065 15.649 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.215 16.362 -5.087 1.00 0.00 H new ATOM 1102 N SER A 72 -10.337 18.687 -4.434 1.00 0.00 N ATOM 1103 CA SER A 72 -10.101 19.746 -3.471 1.00 0.00 C ATOM 1104 C SER A 72 -9.056 19.368 -2.416 1.00 0.00 C ATOM 1105 O SER A 72 -8.943 20.046 -1.395 1.00 0.00 O ATOM 1106 CB SER A 72 -11.413 20.130 -2.782 1.00 0.00 C ATOM 1107 OG SER A 72 -11.171 20.903 -1.620 1.00 0.00 O ATOM 0 H SER A 72 -10.421 17.755 -4.029 1.00 0.00 H new ATOM 0 HA SER A 72 -9.705 20.596 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.039 20.694 -3.474 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.964 19.229 -2.515 1.00 0.00 H new ATOM 0 HG SER A 72 -10.209 21.068 -1.531 1.00 0.00 H new ATOM 1113 N PRO A 73 -8.278 18.286 -2.622 1.00 0.00 N ATOM 1114 CA PRO A 73 -8.327 17.419 -3.786 1.00 0.00 C ATOM 1115 C PRO A 73 -8.972 16.067 -3.483 1.00 0.00 C ATOM 1116 O PRO A 73 -8.361 15.025 -3.712 1.00 0.00 O ATOM 1117 CB PRO A 73 -6.846 17.216 -4.041 1.00 0.00 C ATOM 1118 CG PRO A 73 -6.217 17.215 -2.672 1.00 0.00 C ATOM 1119 CD PRO A 73 -7.234 17.811 -1.715 1.00 0.00 C ATOM 0 HA PRO A 73 -8.909 17.836 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.659 16.277 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.439 18.013 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.952 16.202 -2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.297 17.800 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.613 17.070 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.809 18.622 -1.124 1.00 0.00 H new ATOM 1127 N LYS A 74 -10.189 16.093 -2.957 1.00 0.00 N ATOM 1128 CA LYS A 74 -10.923 14.871 -2.595 1.00 0.00 C ATOM 1129 C LYS A 74 -10.927 13.831 -3.692 1.00 0.00 C ATOM 1130 O LYS A 74 -11.854 13.027 -3.789 1.00 0.00 O ATOM 1131 CB LYS A 74 -12.365 15.212 -2.211 1.00 0.00 C ATOM 1132 CG LYS A 74 -13.357 15.039 -3.348 1.00 0.00 C ATOM 1133 CD LYS A 74 -14.415 14.001 -3.009 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.804 14.616 -2.962 1.00 0.00 C ATOM 1135 NZ LYS A 74 -16.542 14.226 -1.729 1.00 0.00 N ATOM 0 H LYS A 74 -10.701 16.955 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.397 14.439 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.669 14.580 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.404 16.243 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.837 15.994 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.827 14.739 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.394 13.203 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.185 13.546 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.722 15.702 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.370 14.302 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.484 14.666 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.643 13.191 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.015 14.548 -0.892 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.906 13.839 -4.517 1.00 0.00 N ATOM 1150 CA ARG A 75 -9.835 12.880 -5.589 1.00 0.00 C ATOM 1151 C ARG A 75 -8.799 11.779 -5.378 1.00 0.00 C ATOM 1152 O ARG A 75 -7.914 11.608 -6.211 1.00 0.00 O ATOM 1153 CB ARG A 75 -9.611 13.586 -6.916 1.00 0.00 C ATOM 1154 CG ARG A 75 -10.906 13.960 -7.622 1.00 0.00 C ATOM 1155 CD ARG A 75 -12.095 13.932 -6.671 1.00 0.00 C ATOM 1156 NE ARG A 75 -13.097 12.951 -7.079 1.00 0.00 N ATOM 1157 CZ ARG A 75 -14.335 12.916 -6.594 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -14.723 13.809 -5.693 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -15.187 11.991 -7.012 1.00 0.00 N ATOM 0 H ARG A 75 -9.123 14.491 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.799 12.372 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.024 14.488 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.022 12.941 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.810 14.956 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.083 13.270 -8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.749 13.700 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.551 14.921 -6.631 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.833 12.254 -7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.071 14.525 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.673 13.780 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.894 11.304 -7.707 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.136 11.966 -6.639 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.915 11.004 -4.302 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.972 9.915 -4.083 1.00 0.00 C ATOM 1175 C TYR A 76 -8.592 8.628 -4.536 1.00 0.00 C ATOM 1176 O TYR A 76 -9.678 8.267 -4.088 1.00 0.00 O ATOM 1177 CB TYR A 76 -7.608 9.785 -2.620 1.00 0.00 C ATOM 1178 CG TYR A 76 -7.282 11.090 -1.993 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -7.848 12.255 -2.466 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -6.413 11.155 -0.933 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -7.562 13.464 -1.899 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -6.105 12.353 -0.342 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.685 13.521 -0.825 1.00 0.00 C ATOM 1184 OH TYR A 76 -6.386 14.730 -0.242 1.00 0.00 O ATOM 0 H TYR A 76 -9.634 11.106 -3.586 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.067 10.133 -4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.438 9.326 -2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.754 9.115 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.531 12.210 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.964 10.247 -0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.014 14.367 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.418 12.389 0.491 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.757 14.590 0.497 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.917 7.936 -5.428 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.462 6.697 -5.931 1.00 0.00 C ATOM 1196 C TYR A 77 -7.420 5.660 -6.278 1.00 0.00 C ATOM 1197 O TYR A 77 -6.430 5.937 -6.956 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.306 6.969 -7.180 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.520 7.531 -8.357 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -8.042 8.842 -8.349 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.260 6.753 -9.486 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -7.332 9.352 -9.421 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.551 7.261 -10.558 1.00 0.00 C ATOM 1204 CZ TYR A 77 -7.090 8.559 -10.520 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.384 9.064 -11.587 1.00 0.00 O ATOM 0 H TYR A 77 -7.011 8.203 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.064 6.290 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.786 6.041 -7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.101 7.669 -6.922 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.230 9.470 -7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.619 5.735 -9.523 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.969 10.369 -9.396 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.359 6.643 -11.423 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.300 8.375 -12.279 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.726 4.435 -5.887 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.912 3.295 -6.229 1.00 0.00 C ATOM 1217 C VAL A 78 -7.814 2.419 -7.080 1.00 0.00 C ATOM 1218 O VAL A 78 -8.015 1.232 -6.827 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.439 2.533 -4.976 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -5.663 3.460 -4.049 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -7.629 1.925 -4.256 1.00 0.00 C ATOM 0 H VAL A 78 -8.546 4.209 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.004 3.595 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.772 1.728 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.337 2.905 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.792 3.854 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.304 4.286 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.284 1.389 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.316 2.716 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.143 1.233 -4.923 1.00 0.00 H new ATOM 1231 N ALA A 79 -8.373 3.088 -8.082 1.00 0.00 N ATOM 1232 CA ALA A 79 -9.308 2.515 -9.033 1.00 0.00 C ATOM 1233 C ALA A 79 -9.787 3.637 -9.952 1.00 0.00 C ATOM 1234 O ALA A 79 -9.623 4.808 -9.626 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.471 1.849 -8.318 1.00 0.00 C ATOM 0 H ALA A 79 -8.180 4.074 -8.257 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.819 1.739 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.157 1.428 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.095 1.053 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.997 2.587 -7.712 1.00 0.00 H new ATOM 1241 N GLU A 80 -10.348 3.302 -11.097 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.795 4.324 -12.036 1.00 0.00 C ATOM 1243 C GLU A 80 -12.098 4.997 -11.619 1.00 0.00 C ATOM 1244 O GLU A 80 -13.095 4.953 -12.338 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.927 3.743 -13.439 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.965 2.598 -13.716 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.462 1.274 -13.170 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.208 0.576 -13.889 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -10.104 0.933 -12.023 1.00 0.00 O ATOM 0 H GLU A 80 -10.506 2.342 -11.402 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.028 5.098 -12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.949 3.391 -13.583 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.756 4.535 -14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.812 2.509 -14.792 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.995 2.828 -13.274 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.060 5.649 -10.466 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.220 6.379 -9.948 1.00 0.00 C ATOM 1258 C LYS A 81 -13.323 6.248 -8.440 1.00 0.00 C ATOM 1259 O LYS A 81 -13.995 7.042 -7.785 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.509 5.887 -10.612 1.00 0.00 C ATOM 1261 CG LYS A 81 -14.638 4.372 -10.655 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.561 3.859 -9.562 1.00 0.00 C ATOM 1263 CE LYS A 81 -15.153 4.394 -8.203 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.948 3.782 -7.102 1.00 0.00 N ATOM 0 H LYS A 81 -11.237 5.690 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.083 7.433 -10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.363 6.300 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.553 6.275 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.021 4.066 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.653 3.919 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.587 4.156 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.541 2.769 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.094 4.197 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.282 5.476 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.282 4.528 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.765 3.279 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.353 3.111 -6.575 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.639 5.262 -7.889 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.648 5.065 -6.455 1.00 0.00 C ATOM 1280 C TYR A 82 -11.805 6.149 -5.806 1.00 0.00 C ATOM 1281 O TYR A 82 -10.899 5.866 -5.023 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.109 3.678 -6.100 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.886 2.547 -6.739 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.957 2.413 -8.123 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.555 1.612 -5.956 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.668 1.380 -8.704 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -14.268 0.578 -6.531 1.00 0.00 C ATOM 1288 CZ TYR A 82 -14.322 0.465 -7.905 1.00 0.00 C ATOM 1289 OH TYR A 82 -15.031 -0.563 -8.480 1.00 0.00 O ATOM 0 H TYR A 82 -12.075 4.591 -8.410 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.671 5.129 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.066 3.612 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.129 3.555 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.448 3.128 -8.753 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.516 1.696 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.711 1.289 -9.779 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.781 -0.139 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.430 -1.118 -7.778 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.109 7.398 -6.152 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.386 8.529 -5.625 1.00 0.00 C ATOM 1301 C VAL A 83 -12.158 9.177 -4.503 1.00 0.00 C ATOM 1302 O VAL A 83 -13.377 9.333 -4.572 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.083 9.583 -6.704 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -11.364 9.031 -8.093 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -11.887 10.849 -6.453 1.00 0.00 C ATOM 0 H VAL A 83 -12.858 7.642 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.437 8.145 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.024 9.834 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.143 9.794 -8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.738 8.157 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.414 8.746 -8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.660 11.583 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.951 10.615 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.627 11.258 -5.477 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.439 9.545 -3.470 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.043 10.173 -2.318 1.00 0.00 C ATOM 1317 C PHE A 84 -11.104 11.214 -1.719 1.00 0.00 C ATOM 1318 O PHE A 84 -9.921 11.263 -2.073 1.00 0.00 O ATOM 1319 CB PHE A 84 -12.399 9.110 -1.282 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.949 7.853 -1.890 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -12.111 6.951 -2.526 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -14.305 7.574 -1.829 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -12.614 5.795 -3.090 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.814 6.419 -2.392 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.967 5.529 -3.024 1.00 0.00 C ATOM 0 H PHE A 84 -10.429 9.420 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.954 10.683 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.510 8.866 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.131 9.520 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.052 7.154 -2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.971 8.267 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.950 5.100 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.873 6.212 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 84 -14.363 4.626 -3.466 1.00 0.00 H new ATOM 1335 N ASP A 85 -11.643 12.049 -0.829 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.868 13.099 -0.172 1.00 0.00 C ATOM 1337 C ASP A 85 -10.071 12.549 1.002 1.00 0.00 C ATOM 1338 O ASP A 85 -9.567 13.308 1.832 1.00 0.00 O ATOM 1339 CB ASP A 85 -11.789 14.218 0.319 1.00 0.00 C ATOM 1340 CG ASP A 85 -11.638 14.483 1.804 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -12.012 13.600 2.606 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -11.146 15.572 2.166 1.00 0.00 O ATOM 0 H ASP A 85 -12.622 12.016 -0.546 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.171 13.499 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.572 15.132 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.824 13.953 0.104 1.00 0.00 H new ATOM 1347 N SER A 86 -9.963 11.234 1.077 1.00 0.00 N ATOM 1348 CA SER A 86 -9.235 10.595 2.159 1.00 0.00 C ATOM 1349 C SER A 86 -8.666 9.263 1.707 1.00 0.00 C ATOM 1350 O SER A 86 -9.403 8.324 1.403 1.00 0.00 O ATOM 1351 CB SER A 86 -10.144 10.397 3.375 1.00 0.00 C ATOM 1352 OG SER A 86 -11.514 10.469 3.013 1.00 0.00 O ATOM 0 H SER A 86 -10.370 10.588 0.401 1.00 0.00 H new ATOM 0 HA SER A 86 -8.409 11.246 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.937 9.429 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.923 11.157 4.124 1.00 0.00 H new ATOM 0 HG SER A 86 -11.761 11.403 2.851 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.351 9.172 1.676 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.714 7.942 1.272 1.00 0.00 C ATOM 1360 C ILE A 87 -7.174 6.827 2.202 1.00 0.00 C ATOM 1361 O ILE A 87 -7.504 5.718 1.777 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.181 8.060 1.314 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.718 9.454 0.879 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.557 7.011 0.421 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -4.324 9.532 -0.583 1.00 0.00 C ATOM 0 H ILE A 87 -6.712 9.928 1.923 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.998 7.721 0.243 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.859 7.901 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.518 10.170 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.868 9.754 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.471 7.102 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.850 6.019 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.900 7.155 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.007 10.547 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.503 8.841 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.178 9.264 -1.205 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.237 7.136 3.499 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.689 6.191 4.517 1.00 0.00 C ATOM 1379 C PRO A 88 -9.148 5.821 4.302 1.00 0.00 C ATOM 1380 O PRO A 88 -9.507 4.642 4.291 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.507 6.963 5.831 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.592 8.093 5.488 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.899 8.441 4.069 1.00 0.00 C ATOM 0 HA PRO A 88 -7.138 5.251 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.461 7.328 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.078 6.328 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.759 8.946 6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.548 7.801 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.727 9.146 3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.045 8.896 3.567 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.985 6.833 4.075 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.388 6.582 3.802 1.00 0.00 C ATOM 1393 C LEU A 89 -11.457 5.787 2.522 1.00 0.00 C ATOM 1394 O LEU A 89 -12.202 4.814 2.408 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.176 7.887 3.676 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.752 8.184 2.287 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.660 8.670 1.352 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.444 6.957 1.711 1.00 0.00 C ATOM 0 H LEU A 89 -9.716 7.817 4.076 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.838 6.028 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.997 7.865 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.525 8.712 3.963 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.496 8.974 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.087 8.876 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.216 9.581 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.892 7.902 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.844 7.194 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.726 6.141 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.258 6.656 2.370 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.616 6.185 1.579 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.513 5.486 0.321 1.00 0.00 C ATOM 1412 C LEU A 90 -10.127 4.052 0.646 1.00 0.00 C ATOM 1413 O LEU A 90 -10.731 3.088 0.151 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.477 6.171 -0.574 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.446 5.255 -1.228 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.149 5.733 -2.639 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.174 5.215 -0.403 1.00 0.00 C ATOM 0 H LEU A 90 -9.997 6.991 1.668 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.455 5.498 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.005 6.710 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.947 6.915 0.021 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.854 4.245 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.412 5.074 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.066 5.720 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.755 6.749 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.449 4.557 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.758 6.220 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.399 4.839 0.595 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.166 3.921 1.563 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.762 2.608 2.024 1.00 0.00 C ATOM 1431 C ILE A 91 -9.989 1.934 2.608 1.00 0.00 C ATOM 1432 O ILE A 91 -10.273 0.771 2.324 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.691 2.668 3.131 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.280 2.714 2.552 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.837 1.458 4.031 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.186 2.181 1.148 1.00 0.00 C ATOM 0 H ILE A 91 -8.665 4.700 1.990 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.338 2.068 1.177 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.842 3.584 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.925 3.744 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.614 2.139 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.082 1.495 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.829 1.458 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.705 0.549 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.154 2.245 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.510 1.140 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.826 2.771 0.491 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.732 2.701 3.409 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.955 2.210 4.019 1.00 0.00 C ATOM 1450 C GLN A 92 -12.950 1.831 2.936 1.00 0.00 C ATOM 1451 O GLN A 92 -13.655 0.828 3.036 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.559 3.270 4.943 1.00 0.00 C ATOM 1453 CG GLN A 92 -11.916 3.314 6.320 1.00 0.00 C ATOM 1454 CD GLN A 92 -12.523 4.377 7.213 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -13.612 4.984 6.755 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -12.019 4.651 8.302 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.502 3.666 3.647 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.721 1.329 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.460 4.249 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.626 3.077 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.022 2.340 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.848 3.502 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.182 4.159 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.439 5.370 8.892 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.989 2.641 1.890 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.881 2.394 0.770 1.00 0.00 C ATOM 1467 C TYR A 93 -13.446 1.149 0.020 1.00 0.00 C ATOM 1468 O TYR A 93 -14.274 0.377 -0.463 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.907 3.595 -0.176 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.887 3.444 -1.318 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.535 2.762 -2.477 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -16.165 3.983 -1.237 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.430 2.624 -3.524 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -17.065 3.848 -2.277 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.692 3.168 -3.416 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.586 3.031 -4.455 1.00 0.00 O ATOM 0 H TYR A 93 -12.412 3.477 1.794 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.887 2.240 1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.160 4.490 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.908 3.748 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.548 2.333 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.460 4.517 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.141 2.094 -4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -18.055 4.273 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.430 3.470 -4.220 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.136 0.961 -0.078 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.587 -0.199 -0.777 1.00 0.00 C ATOM 1488 C HIS A 94 -11.548 -1.431 0.117 1.00 0.00 C ATOM 1489 O HIS A 94 -11.177 -2.510 -0.332 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.188 0.105 -1.306 1.00 0.00 C ATOM 1491 CG HIS A 94 -10.167 1.292 -2.201 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.797 2.540 -1.769 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -10.519 1.426 -3.500 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -9.927 3.401 -2.766 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -10.362 2.748 -3.827 1.00 0.00 N ATOM 0 H HIS A 94 -11.436 1.591 0.314 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.249 -0.414 -1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.514 0.274 -0.466 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.811 -0.762 -1.848 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.473 2.768 -0.829 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.860 0.639 -4.157 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.713 4.459 -2.719 1.00 0.00 H new ATOM 1504 N GLN A 95 -11.937 -1.275 1.376 1.00 0.00 N ATOM 1505 CA GLN A 95 -11.942 -2.399 2.306 1.00 0.00 C ATOM 1506 C GLN A 95 -13.367 -2.794 2.664 1.00 0.00 C ATOM 1507 O GLN A 95 -13.642 -3.944 3.006 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.165 -2.065 3.581 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.367 -0.647 4.079 1.00 0.00 C ATOM 1510 CD GLN A 95 -12.416 -0.568 5.163 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -13.665 -0.430 4.750 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -12.109 -0.633 6.354 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.251 -0.390 1.775 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.453 -3.237 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.462 -2.760 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.103 -2.226 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.422 -0.260 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.660 -0.009 3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.131 -0.740 6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.833 -0.580 7.071 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.265 -1.825 2.582 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.666 -2.049 2.893 1.00 0.00 C ATOM 1523 C TYR A 96 -16.509 -2.084 1.626 1.00 0.00 C ATOM 1524 O TYR A 96 -17.510 -2.795 1.549 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.182 -0.961 3.836 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.599 -0.525 3.540 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.667 -1.393 3.724 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -17.869 0.757 3.077 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -19.965 -0.998 3.453 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.163 1.160 2.804 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.206 0.279 2.994 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.495 0.676 2.724 1.00 0.00 O ATOM 0 H TYR A 96 -14.045 -0.870 2.300 1.00 0.00 H new ATOM 0 HA TYR A 96 -15.750 -3.017 3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.130 -1.326 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.524 -0.095 3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.481 -2.394 4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.054 1.450 2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.784 -1.686 3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.356 2.160 2.444 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.492 1.604 2.410 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.093 -1.307 0.635 1.00 0.00 N ATOM 1543 CA ASN A 97 -16.801 -1.238 -0.635 1.00 0.00 C ATOM 1544 C ASN A 97 -16.219 -2.228 -1.638 1.00 0.00 C ATOM 1545 O ASN A 97 -15.394 -3.071 -1.286 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.734 0.181 -1.203 1.00 0.00 C ATOM 1547 CG ASN A 97 -18.109 0.782 -1.420 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -18.736 0.567 -2.457 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -18.584 1.541 -0.439 1.00 0.00 N ATOM 0 H ASN A 97 -15.265 -0.713 0.687 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.843 -1.502 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.166 0.816 -0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.194 0.165 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.504 1.973 -0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.029 1.692 0.403 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.654 -2.120 -2.889 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.162 -3.011 -3.924 1.00 0.00 C ATOM 1558 C GLY A 98 -14.648 -3.027 -4.002 1.00 0.00 C ATOM 1559 O GLY A 98 -14.037 -4.087 -4.137 1.00 0.00 O ATOM 0 H GLY A 98 -17.338 -1.432 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.524 -4.021 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.569 -2.704 -4.887 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.043 -1.847 -3.915 1.00 0.00 N ATOM 1564 CA GLY A 99 -12.598 -1.749 -3.976 1.00 0.00 C ATOM 1565 C GLY A 99 -12.056 -1.976 -5.373 1.00 0.00 C ATOM 1566 O GLY A 99 -11.307 -1.151 -5.897 1.00 0.00 O ATOM 0 H GLY A 99 -14.529 -0.957 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.289 -0.764 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.159 -2.480 -3.297 1.00 0.00 H new ATOM 1570 N GLY A 100 -12.433 -3.098 -5.978 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.969 -3.409 -7.317 1.00 0.00 C ATOM 1572 C GLY A 100 -10.471 -3.639 -7.368 1.00 0.00 C ATOM 1573 O GLY A 100 -9.913 -3.914 -8.432 1.00 0.00 O ATOM 0 H GLY A 100 -13.051 -3.797 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.484 -4.299 -7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.232 -2.592 -7.989 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.819 -3.526 -6.217 1.00 0.00 N ATOM 1578 CA LEU A 101 -8.377 -3.722 -6.127 1.00 0.00 C ATOM 1579 C LEU A 101 -8.052 -5.061 -5.472 1.00 0.00 C ATOM 1580 O LEU A 101 -8.901 -5.949 -5.399 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.737 -2.579 -5.338 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.419 -2.250 -4.010 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.981 -3.228 -2.931 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -8.111 -0.820 -3.593 1.00 0.00 C ATOM 0 H LEU A 101 -10.268 -3.299 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.968 -3.727 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.695 -2.832 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.736 -1.684 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 101 -9.497 -2.344 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.476 -2.979 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.252 -4.241 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.901 -3.165 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.604 -0.603 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.034 -0.699 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.474 -0.132 -4.357 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.817 -5.199 -4.998 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.379 -6.432 -4.350 1.00 0.00 C ATOM 1598 C VAL A 102 -7.389 -6.895 -3.303 1.00 0.00 C ATOM 1599 O VAL A 102 -7.145 -6.792 -2.101 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.003 -6.252 -3.679 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.146 -5.544 -2.341 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.316 -7.598 -3.506 1.00 0.00 C ATOM 0 H VAL A 102 -6.102 -4.473 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.300 -7.189 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.383 -5.631 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.163 -5.427 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.594 -4.562 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.784 -6.134 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.346 -7.453 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.933 -8.244 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.176 -8.063 -4.482 1.00 0.00 H new ATOM 1612 N THR A 103 -8.520 -7.408 -3.769 1.00 0.00 N ATOM 1613 CA THR A 103 -9.568 -7.890 -2.878 1.00 0.00 C ATOM 1614 C THR A 103 -9.924 -6.836 -1.834 1.00 0.00 C ATOM 1615 O THR A 103 -10.202 -7.158 -0.678 1.00 0.00 O ATOM 1616 CB THR A 103 -9.128 -9.185 -2.191 1.00 0.00 C ATOM 1617 OG1 THR A 103 -10.176 -10.138 -2.201 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.702 -8.988 -0.752 1.00 0.00 C ATOM 0 H THR A 103 -8.736 -7.501 -4.762 1.00 0.00 H new ATOM 0 HA THR A 103 -10.456 -8.091 -3.477 1.00 0.00 H new ATOM 0 HB THR A 103 -8.268 -9.535 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.875 -10.959 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.403 -9.946 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.861 -8.295 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.535 -8.581 -0.179 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.923 -5.574 -2.252 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.255 -4.473 -1.354 1.00 0.00 C ATOM 1628 C ARG A 104 -9.333 -4.462 -0.136 1.00 0.00 C ATOM 1629 O ARG A 104 -8.645 -5.444 0.141 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.713 -4.589 -0.904 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.353 -5.923 -1.250 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.868 -5.815 -1.307 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.507 -6.454 -0.161 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.894 -5.795 0.928 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -14.706 -4.485 1.014 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.467 -6.447 1.931 1.00 0.00 N ATOM 0 H ARG A 104 -9.697 -5.289 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.117 -3.537 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.764 -4.440 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.291 -3.788 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.975 -6.271 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.068 -6.668 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.155 -4.764 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.230 -6.275 -2.227 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.666 -7.461 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.264 -3.982 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.003 -3.981 1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.611 -7.455 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.763 -5.941 2.765 1.00 0.00 H new ATOM 1650 N LEU A 105 -9.334 -3.350 0.600 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.512 -3.229 1.792 1.00 0.00 C ATOM 1652 C LEU A 105 -9.105 -4.092 2.901 1.00 0.00 C ATOM 1653 O LEU A 105 -10.316 -4.083 3.120 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.422 -1.759 2.234 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.420 -0.894 1.455 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.123 -0.709 2.241 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.132 -1.509 0.093 1.00 0.00 C ATOM 0 H LEU A 105 -9.895 -2.525 0.388 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.502 -3.575 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.411 -1.309 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.155 -1.731 3.290 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.868 0.089 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.433 -0.093 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.340 -0.220 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.670 -1.682 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.420 -0.883 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.711 -2.506 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.058 -1.579 -0.478 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.269 -4.867 3.581 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.757 -5.744 4.631 1.00 0.00 C ATOM 1671 C ARG A 106 -8.073 -5.485 5.968 1.00 0.00 C ATOM 1672 O ARG A 106 -8.725 -5.124 6.947 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.566 -7.207 4.230 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.625 -8.137 4.799 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.351 -8.894 3.698 1.00 0.00 C ATOM 1676 NE ARG A 106 -11.109 -10.027 4.221 1.00 0.00 N ATOM 1677 CZ ARG A 106 -12.135 -10.583 3.583 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.521 -10.112 2.404 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -12.775 -11.610 4.122 1.00 0.00 N ATOM 0 H ARG A 106 -7.262 -4.905 3.425 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.818 -5.530 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.576 -7.281 3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.584 -7.541 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.159 -8.846 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.344 -7.559 5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.026 -8.216 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.627 -9.250 2.965 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.837 -10.413 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.031 -9.322 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.308 -10.540 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.481 -11.976 5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.562 -12.035 3.631 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.764 -5.696 6.014 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.012 -5.509 7.245 1.00 0.00 C ATOM 1695 C TYR A 107 -4.866 -4.525 7.067 1.00 0.00 C ATOM 1696 O TYR A 107 -4.027 -4.681 6.182 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.455 -6.851 7.718 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.952 -6.829 9.144 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.820 -6.584 10.202 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.612 -7.051 9.433 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.366 -6.563 11.508 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.151 -7.032 10.735 1.00 0.00 C ATOM 1703 CZ TYR A 107 -4.031 -6.787 11.769 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.575 -6.765 13.067 1.00 0.00 O ATOM 0 H TYR A 107 -6.204 -5.996 5.216 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.696 -5.100 7.989 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.232 -7.610 7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.640 -7.149 7.059 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.866 -6.407 10.001 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.919 -7.242 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.053 -6.372 12.319 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.106 -7.208 10.943 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.611 -6.942 13.078 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.809 -3.501 7.925 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.769 -2.495 7.893 1.00 0.00 C ATOM 1716 C PRO A 108 -2.622 -2.846 8.835 1.00 0.00 C ATOM 1717 O PRO A 108 -2.471 -2.248 9.899 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.511 -1.254 8.374 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.591 -1.758 9.281 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.758 -3.240 9.014 1.00 0.00 C ATOM 0 HA PRO A 108 -3.304 -2.381 6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.840 -0.576 8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.931 -0.698 7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.327 -1.584 10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.525 -1.228 9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.529 -3.835 9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.780 -3.483 8.723 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.825 -3.835 8.442 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.705 -4.277 9.254 1.00 0.00 C ATOM 1730 C VAL A 109 0.604 -3.659 8.775 1.00 0.00 C ATOM 1731 O VAL A 109 1.546 -4.371 8.424 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.576 -5.811 9.249 1.00 0.00 C ATOM 1733 CG1 VAL A 109 -0.283 -6.326 7.849 1.00 0.00 C ATOM 1734 CG2 VAL A 109 0.498 -6.261 10.227 1.00 0.00 C ATOM 0 H VAL A 109 -1.937 -4.344 7.565 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.904 -3.944 10.273 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.528 -6.234 9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.196 -7.412 7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.094 -6.041 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.652 -5.895 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.574 -7.348 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.456 -5.825 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.235 -5.932 11.233 1.00 0.00 H new ATOM 1744 N CYS A 110 0.656 -2.331 8.763 1.00 0.00 N ATOM 1745 CA CYS A 110 1.850 -1.616 8.326 1.00 0.00 C ATOM 1746 C CYS A 110 3.101 -2.199 8.976 1.00 0.00 C ATOM 1747 O CYS A 110 3.125 -2.457 10.179 1.00 0.00 O ATOM 1748 CB CYS A 110 1.731 -0.129 8.663 1.00 0.00 C ATOM 1749 SG CYS A 110 0.718 0.218 10.120 1.00 0.00 S ATOM 0 H CYS A 110 -0.115 -1.728 9.051 1.00 0.00 H new ATOM 0 HA CYS A 110 1.937 -1.730 7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.730 0.278 8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.307 0.394 7.806 1.00 0.00 H new ATOM 0 HG CYS A 110 0.679 1.501 10.326 1.00 0.00 H new ATOM 1755 N GLY A 111 4.138 -2.405 8.171 1.00 0.00 N ATOM 1756 CA GLY A 111 5.379 -2.954 8.686 1.00 0.00 C ATOM 1757 C GLY A 111 5.192 -3.668 10.010 1.00 0.00 C ATOM 1758 O GLY A 111 4.217 -4.439 10.137 1.00 0.00 O ATOM 0 H GLY A 111 4.141 -2.202 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.795 -3.650 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.105 -2.150 8.810 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 3.977 1.059 -13.361 1.00 0.00 C HETATM 1764 O ACE B 118 4.437 0.401 -12.428 1.00 0.00 O HETATM 1765 CH3 ACE B 118 2.893 0.493 -14.244 1.00 0.00 C HETATM 0 H1 ACE B 118 2.009 1.129 -14.188 1.00 0.00 H new HETATM 0 H2 ACE B 118 3.247 0.453 -15.274 1.00 0.00 H new HETATM 0 H3 ACE B 118 2.639 -0.512 -13.909 1.00 0.00 H new ATOM 1769 N ALA B 119 4.393 2.287 -13.655 1.00 0.00 N ATOM 1770 CA ALA B 119 5.437 2.946 -12.880 1.00 0.00 C ATOM 1771 C ALA B 119 4.917 3.378 -11.514 1.00 0.00 C ATOM 1772 O ALA B 119 5.518 3.072 -10.484 1.00 0.00 O ATOM 1773 CB ALA B 119 5.981 4.145 -13.643 1.00 0.00 C ATOM 0 H ALA B 119 4.023 2.845 -14.424 1.00 0.00 H new ATOM 0 HA ALA B 119 6.245 2.231 -12.722 1.00 0.00 H new ATOM 0 HB1 ALA B 119 6.760 4.629 -13.053 1.00 0.00 H new ATOM 0 HB2 ALA B 119 6.399 3.813 -14.593 1.00 0.00 H new ATOM 0 HB3 ALA B 119 5.174 4.854 -13.830 1.00 0.00 H new ATOM 1779 N ASP B 120 3.794 4.090 -11.510 1.00 0.00 N ATOM 1780 CA ASP B 120 3.192 4.564 -10.270 1.00 0.00 C ATOM 1781 C ASP B 120 2.801 3.393 -9.374 1.00 0.00 C ATOM 1782 O ASP B 120 2.465 3.582 -8.205 1.00 0.00 O ATOM 1783 CB ASP B 120 1.963 5.422 -10.570 1.00 0.00 C ATOM 1784 CG ASP B 120 0.670 4.635 -10.479 1.00 0.00 C ATOM 1785 OD1 ASP B 120 0.623 3.506 -11.014 1.00 0.00 O ATOM 1786 OD2 ASP B 120 -0.296 5.145 -9.874 1.00 0.00 O ATOM 0 H ASP B 120 3.283 4.351 -12.353 1.00 0.00 H new ATOM 0 HA ASP B 120 3.931 5.170 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP B 120 1.927 6.257 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP B 120 2.056 5.848 -11.569 1.00 0.00 H new HETATM 1791 N PTR B 121 2.848 2.186 -9.934 1.00 0.00 N HETATM 1792 CA PTR B 121 2.501 0.972 -9.199 1.00 0.00 C HETATM 1793 C PTR B 121 1.547 0.105 -10.015 1.00 0.00 C HETATM 1794 O PTR B 121 0.565 0.600 -10.566 1.00 0.00 O HETATM 1795 CB PTR B 121 1.859 1.316 -7.852 1.00 0.00 C HETATM 1796 CG PTR B 121 2.856 1.489 -6.727 1.00 0.00 C HETATM 1797 CD1 PTR B 121 2.663 0.858 -5.504 1.00 0.00 C HETATM 1798 CD2 PTR B 121 3.988 2.281 -6.885 1.00 0.00 C HETATM 1799 CE1 PTR B 121 3.566 1.012 -4.470 1.00 0.00 C HETATM 1800 CE2 PTR B 121 4.894 2.440 -5.856 1.00 0.00 C HETATM 1801 CZ PTR B 121 4.681 1.804 -4.651 1.00 0.00 C HETATM 1802 OH PTR B 121 5.583 1.960 -3.625 1.00 0.00 O HETATM 1803 P PTR B 121 6.554 3.203 -3.946 1.00 0.00 P HETATM 1804 O1P PTR B 121 5.789 4.416 -4.677 1.00 0.00 O HETATM 1805 O2P PTR B 121 7.672 2.659 -4.750 1.00 0.00 O HETATM 1806 O3P PTR B 121 7.036 3.773 -2.520 1.00 0.00 O HETATM 0 HE2 PTR B 121 5.775 3.066 -5.995 1.00 0.00 H new HETATM 0 HE1 PTR B 121 3.399 0.511 -3.517 1.00 0.00 H new HETATM 0 HD2 PTR B 121 4.163 2.784 -7.836 1.00 0.00 H new HETATM 0 HD1 PTR B 121 1.784 0.231 -5.358 1.00 0.00 H new HETATM 0 HB3 PTR B 121 1.283 2.235 -7.959 1.00 0.00 H new HETATM 0 HB2 PTR B 121 1.155 0.528 -7.584 1.00 0.00 H new HETATM 0 HA PTR B 121 3.421 0.416 -9.019 1.00 0.00 H new HETATM 0 H PTR B 121 2.458 2.349 -10.862 1.00 0.00 H new ATOM 1815 N GLU B 122 1.840 -1.190 -10.088 1.00 0.00 N ATOM 1816 CA GLU B 122 0.998 -2.114 -10.839 1.00 0.00 C ATOM 1817 C GLU B 122 -0.461 -1.673 -10.783 1.00 0.00 C ATOM 1818 O GLU B 122 -0.997 -1.146 -11.758 1.00 0.00 O ATOM 1819 CB GLU B 122 1.146 -3.536 -10.296 1.00 0.00 C ATOM 1820 CG GLU B 122 -0.072 -4.413 -10.544 1.00 0.00 C ATOM 1821 CD GLU B 122 0.080 -5.801 -9.954 1.00 0.00 C ATOM 1822 OE1 GLU B 122 1.142 -6.080 -9.358 1.00 0.00 O ATOM 1823 OE2 GLU B 122 -0.862 -6.610 -10.088 1.00 0.00 O ATOM 0 H GLU B 122 2.649 -1.621 -9.639 1.00 0.00 H new ATOM 0 HA GLU B 122 1.322 -2.106 -11.880 1.00 0.00 H new ATOM 0 HB2 GLU B 122 2.018 -4.002 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU B 122 1.337 -3.488 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU B 122 -0.953 -3.935 -10.116 1.00 0.00 H new ATOM 0 HG3 GLU B 122 -0.244 -4.495 -11.617 1.00 0.00 H new ATOM 1830 N PRO B 123 -1.122 -1.873 -9.632 1.00 0.00 N ATOM 1831 CA PRO B 123 -2.518 -1.486 -9.445 1.00 0.00 C ATOM 1832 C PRO B 123 -2.650 -0.023 -9.038 1.00 0.00 C ATOM 1833 O PRO B 123 -1.651 0.687 -8.915 1.00 0.00 O ATOM 1834 CB PRO B 123 -2.957 -2.396 -8.305 1.00 0.00 C ATOM 1835 CG PRO B 123 -1.736 -2.529 -7.462 1.00 0.00 C ATOM 1836 CD PRO B 123 -0.562 -2.487 -8.411 1.00 0.00 C ATOM 0 HA PRO B 123 -3.113 -1.586 -10.353 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -3.785 -1.962 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -3.295 -3.364 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -1.676 -1.721 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO B 123 -1.750 -3.464 -6.901 1.00 0.00 H new ATOM 0 HD2 PRO B 123 0.260 -1.896 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO B 123 -0.170 -3.485 -8.608 1.00 0.00 H new ATOM 1844 N PRO B 124 -3.885 0.446 -8.816 1.00 0.00 N ATOM 1845 CA PRO B 124 -4.140 1.831 -8.416 1.00 0.00 C ATOM 1846 C PRO B 124 -3.247 2.275 -7.263 1.00 0.00 C ATOM 1847 O PRO B 124 -2.081 1.893 -7.182 1.00 0.00 O ATOM 1848 CB PRO B 124 -5.603 1.805 -7.981 1.00 0.00 C ATOM 1849 CG PRO B 124 -6.207 0.706 -8.785 1.00 0.00 C ATOM 1850 CD PRO B 124 -5.131 -0.333 -8.939 1.00 0.00 C ATOM 0 HA PRO B 124 -3.932 2.535 -9.221 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -5.697 1.614 -6.912 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.094 2.758 -8.178 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -7.082 0.291 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.540 1.071 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.202 -1.102 -8.170 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -5.195 -0.839 -9.902 1.00 0.00 H new HETATM 1858 N NH2 B 125 -3.787 3.087 -6.361 1.00 0.00 N TER 1859 NH2 B 125