USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN : amide:sc= -9.95! C(o=-25!,f=-23!) USER MOD Set 1.2: A 95 GLN : amide:sc= -14.8! C(o=-25!,f=-25!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -131:sc= -12.5! (180deg=-22.1!) USER MOD Set 2.2: A 93 TYR OH : rot 64:sc= -7.15! USER MOD Set 2.3: A 94 HIS : no HE2:sc= -43.8! C(o=-63!,f=-74!) USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 62 LYS NZ :NH3+ -165:sc= -4.03! (180deg=-3.83!) USER MOD Set 4.2: A 64 TYR OH : rot -79:sc= -7.98! USER MOD Set 5.1: A 48 SER OG : rot 48:sc= 0.81 USER MOD Set 5.2: A 63 HIS : no HD1:sc= -2.83! C(o=-2!,f=-11!) USER MOD Set 6.1: A 39 SER OG : rot -100:sc= -3.51! USER MOD Set 6.2: A 46 THR OG1 : rot -130:sc= -9.15! USER MOD Set 6.3: A 65 HIS : no HE2:sc= -30.1! C(o=-43!,f=-47!) USER MOD Set 7.1: A 13 ASN : amide:sc= -22! C(o=-58!,f=-50!) USER MOD Set 7.2: A 35 MET CE :methyl -179:sc= -36.4! (180deg=-30.1!) USER MOD Set 7.3: A 110 CYS SG : rot 180:sc= 0 USER MOD Set 8.1: A 28 THR OG1 : rot 102:sc= -8.79! USER MOD Set 8.2: A 30 LYS NZ :NH3+ 147:sc= -17.4! (180deg=-17!) USER MOD Single : A 4 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.2!) USER MOD Single : A 5 ASN : amide:sc= -2.47 K(o=-2.5,f=-13!) USER MOD Single : A 8 THR OG1 : rot 18:sc= 1.01 USER MOD Single : A 9 TYR OH : rot 150:sc= -1.62 USER MOD Single : A 12 TYR OH : rot 10:sc= -1.58! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 55:sc= 0.806 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= -2.39! (180deg=-4.02!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -173:sc= -7.82! USER MOD Single : A 44 THR OG1 : rot 49:sc= -3.92! USER MOD Single : A 51 THR OG1 : rot -58:sc= -3.22! USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= -12! (180deg=-14.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.02! C(o=-2!,f=-2!) USER MOD Single : A 60 CYS SG : rot 120:sc= -4.19! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -74:sc= 0.481 USER MOD Single : A 70 ASN : amide:sc= -1.9! C(o=-1.9!,f=-1.6!) USER MOD Single : A 72 SER OG : rot 31:sc= 0.128 USER MOD Single : A 74 LYS NZ :NH3+ 144:sc= -0.793 (180deg=-1.77!) USER MOD Single : A 77 TYR OH : rot 180:sc= -1.39! USER MOD Single : A 82 TYR OH : rot -169:sc= 0.632 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -2.26! K(o=-2.3!,f=-0.074) USER MOD Single : A 103 THR OG1 : rot 45:sc= -2.81! USER MOD Single : A 107 TYR OH : rot -81:sc= 0.361 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -14.057 7.647 8.112 1.00 0.00 C HETATM 2 O ACE A 3 -14.113 6.419 8.040 1.00 0.00 O HETATM 3 CH3 ACE A 3 -15.116 8.426 8.853 1.00 0.00 C HETATM 0 H1 ACE A 3 -14.654 8.987 9.665 1.00 0.00 H new HETATM 0 H2 ACE A 3 -15.605 9.118 8.167 1.00 0.00 H new HETATM 0 H3 ACE A 3 -15.855 7.737 9.262 1.00 0.00 H new ATOM 7 N ASN A 4 -13.084 8.361 7.557 1.00 0.00 N ATOM 8 CA ASN A 4 -12.002 7.728 6.812 1.00 0.00 C ATOM 9 C ASN A 4 -10.671 8.420 7.090 1.00 0.00 C ATOM 10 O ASN A 4 -10.411 8.861 8.210 1.00 0.00 O ATOM 11 CB ASN A 4 -12.301 7.756 5.312 1.00 0.00 C ATOM 12 CG ASN A 4 -12.350 9.166 4.757 1.00 0.00 C ATOM 13 OD1 ASN A 4 -11.345 9.692 4.279 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.522 9.787 4.819 1.00 0.00 N ATOM 0 H ASN A 4 -13.022 9.378 7.609 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.928 6.691 7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.538 7.186 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -13.255 7.262 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.615 10.738 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.330 9.313 5.224 1.00 0.00 H new ATOM 21 N ASN A 5 -9.831 8.512 6.064 1.00 0.00 N ATOM 22 CA ASN A 5 -8.526 9.150 6.198 1.00 0.00 C ATOM 23 C ASN A 5 -7.490 8.161 6.721 1.00 0.00 C ATOM 24 O ASN A 5 -7.748 7.419 7.669 1.00 0.00 O ATOM 25 CB ASN A 5 -8.618 10.354 7.138 1.00 0.00 C ATOM 26 CG ASN A 5 -7.361 11.200 7.118 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.288 10.747 7.518 1.00 0.00 O ATOM 28 ND2 ASN A 5 -7.486 12.437 6.650 1.00 0.00 N ATOM 0 H ASN A 5 -10.031 8.153 5.130 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.212 9.491 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.471 10.969 6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.802 10.005 8.154 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.673 13.052 6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.395 12.771 6.329 1.00 0.00 H new ATOM 35 N LEU A 6 -6.317 8.155 6.096 1.00 0.00 N ATOM 36 CA LEU A 6 -5.240 7.256 6.499 1.00 0.00 C ATOM 37 C LEU A 6 -3.914 7.985 6.558 1.00 0.00 C ATOM 38 O LEU A 6 -2.865 7.367 6.738 1.00 0.00 O ATOM 39 CB LEU A 6 -5.119 6.094 5.521 1.00 0.00 C ATOM 40 CG LEU A 6 -6.002 6.193 4.290 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.235 5.725 3.067 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.261 5.372 4.494 1.00 0.00 C ATOM 0 H LEU A 6 -6.088 8.762 5.309 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.485 6.878 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.081 6.017 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.358 5.170 6.047 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.294 7.231 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.874 5.798 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.353 6.351 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.926 4.689 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.891 5.446 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.992 4.329 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.806 5.750 5.359 1.00 0.00 H new ATOM 54 N GLU A 7 -3.958 9.295 6.393 1.00 0.00 N ATOM 55 CA GLU A 7 -2.742 10.093 6.416 1.00 0.00 C ATOM 56 C GLU A 7 -2.040 9.991 7.766 1.00 0.00 C ATOM 57 O GLU A 7 -1.541 10.986 8.294 1.00 0.00 O ATOM 58 CB GLU A 7 -3.052 11.554 6.089 1.00 0.00 C ATOM 59 CG GLU A 7 -3.959 12.226 7.107 1.00 0.00 C ATOM 60 CD GLU A 7 -3.457 13.595 7.522 1.00 0.00 C ATOM 61 OE1 GLU A 7 -2.355 13.982 7.079 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.166 14.279 8.289 1.00 0.00 O ATOM 0 H GLU A 7 -4.815 9.827 6.243 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.070 9.698 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.117 12.110 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.521 11.606 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.961 12.322 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.042 11.591 7.989 1.00 0.00 H new ATOM 69 N THR A 8 -2.003 8.783 8.318 1.00 0.00 N ATOM 70 CA THR A 8 -1.358 8.553 9.604 1.00 0.00 C ATOM 71 C THR A 8 -0.856 7.114 9.735 1.00 0.00 C ATOM 72 O THR A 8 -0.365 6.723 10.793 1.00 0.00 O ATOM 73 CB THR A 8 -2.326 8.870 10.745 1.00 0.00 C ATOM 74 OG1 THR A 8 -1.905 8.250 11.947 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.744 8.421 10.469 1.00 0.00 C ATOM 0 H THR A 8 -2.412 7.950 7.895 1.00 0.00 H new ATOM 0 HA THR A 8 -0.496 9.217 9.663 1.00 0.00 H new ATOM 0 HB THR A 8 -2.318 9.956 10.837 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.961 7.997 11.871 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.378 8.676 11.318 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.116 8.921 9.575 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.761 7.342 10.315 1.00 0.00 H new ATOM 83 N TYR A 9 -0.980 6.321 8.667 1.00 0.00 N ATOM 84 CA TYR A 9 -0.530 4.935 8.710 1.00 0.00 C ATOM 85 C TYR A 9 0.940 4.817 8.363 1.00 0.00 C ATOM 86 O TYR A 9 1.417 5.426 7.405 1.00 0.00 O ATOM 87 CB TYR A 9 -1.352 4.073 7.757 1.00 0.00 C ATOM 88 CG TYR A 9 -2.793 3.977 8.181 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.177 3.095 9.180 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.765 4.780 7.599 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.491 3.012 9.592 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.086 4.699 8.006 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.441 3.815 9.002 1.00 0.00 C ATOM 94 OH TYR A 9 -6.753 3.735 9.410 1.00 0.00 O ATOM 0 H TYR A 9 -1.383 6.613 7.776 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.672 4.579 9.731 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.297 4.491 6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.921 3.073 7.710 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.435 2.462 9.643 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.488 5.475 6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.773 2.321 10.373 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.835 5.326 7.545 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.185 4.607 9.294 1.00 0.00 H new ATOM 104 N GLU A 10 1.652 4.011 9.136 1.00 0.00 N ATOM 105 CA GLU A 10 3.064 3.793 8.896 1.00 0.00 C ATOM 106 C GLU A 10 3.301 3.548 7.416 1.00 0.00 C ATOM 107 O GLU A 10 4.432 3.603 6.940 1.00 0.00 O ATOM 108 CB GLU A 10 3.555 2.591 9.702 1.00 0.00 C ATOM 109 CG GLU A 10 4.663 1.811 9.013 1.00 0.00 C ATOM 110 CD GLU A 10 5.487 0.988 9.984 1.00 0.00 C ATOM 111 OE1 GLU A 10 6.052 1.575 10.930 1.00 0.00 O ATOM 112 OE2 GLU A 10 5.568 -0.245 9.796 1.00 0.00 O ATOM 0 H GLU A 10 1.273 3.499 9.933 1.00 0.00 H new ATOM 0 HA GLU A 10 3.617 4.679 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.913 2.936 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.715 1.923 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.226 1.152 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.317 2.505 8.485 1.00 0.00 H new ATOM 119 N TRP A 11 2.223 3.250 6.697 1.00 0.00 N ATOM 120 CA TRP A 11 2.309 2.964 5.275 1.00 0.00 C ATOM 121 C TRP A 11 1.828 4.119 4.405 1.00 0.00 C ATOM 122 O TRP A 11 2.346 4.334 3.312 1.00 0.00 O ATOM 123 CB TRP A 11 1.467 1.737 4.955 1.00 0.00 C ATOM 124 CG TRP A 11 0.184 1.655 5.742 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.045 0.946 6.889 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.060 2.281 5.410 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.357 1.092 7.281 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.000 1.908 6.387 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.468 3.122 4.378 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.325 2.348 6.353 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.776 3.557 4.344 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.693 3.168 5.324 1.00 0.00 C ATOM 0 H TRP A 11 1.279 3.201 7.080 1.00 0.00 H new ATOM 0 HA TRP A 11 3.362 2.795 5.051 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.230 1.739 3.891 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.058 0.842 5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.695 0.358 7.411 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.781 0.663 8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.769 3.430 3.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.033 2.051 7.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.097 4.210 3.546 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.712 3.522 5.267 1.00 0.00 H new ATOM 143 N TYR A 12 0.805 4.826 4.859 1.00 0.00 N ATOM 144 CA TYR A 12 0.238 5.913 4.071 1.00 0.00 C ATOM 145 C TYR A 12 1.152 7.123 3.943 1.00 0.00 C ATOM 146 O TYR A 12 1.859 7.501 4.878 1.00 0.00 O ATOM 147 CB TYR A 12 -1.099 6.363 4.640 1.00 0.00 C ATOM 148 CG TYR A 12 -1.847 7.251 3.680 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.632 6.701 2.679 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.752 8.634 3.760 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.309 7.503 1.785 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.425 9.447 2.868 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.204 8.876 1.881 1.00 0.00 C ATOM 154 OH TYR A 12 -3.876 9.680 0.989 1.00 0.00 O ATOM 0 H TYR A 12 0.353 4.670 5.760 1.00 0.00 H new ATOM 0 HA TYR A 12 0.105 5.498 3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.706 5.489 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.934 6.897 5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.715 5.627 2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.143 9.081 4.531 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.919 7.059 1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.342 10.521 2.942 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.498 9.136 0.462 1.00 0.00 H new ATOM 164 N ASN A 13 1.085 7.737 2.766 1.00 0.00 N ATOM 165 CA ASN A 13 1.847 8.934 2.453 1.00 0.00 C ATOM 166 C ASN A 13 1.037 9.809 1.497 1.00 0.00 C ATOM 167 O ASN A 13 1.023 9.583 0.289 1.00 0.00 O ATOM 168 CB ASN A 13 3.189 8.559 1.836 1.00 0.00 C ATOM 169 CG ASN A 13 4.315 8.600 2.855 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.185 9.219 3.912 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.425 7.943 2.545 1.00 0.00 N ATOM 0 H ASN A 13 0.495 7.413 1.999 1.00 0.00 H new ATOM 0 HA ASN A 13 2.042 9.493 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.124 7.559 1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.415 9.242 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.213 7.938 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.491 7.443 1.658 1.00 0.00 H new ATOM 178 N LYS A 14 0.340 10.787 2.069 1.00 0.00 N ATOM 179 CA LYS A 14 -0.523 11.704 1.319 1.00 0.00 C ATOM 180 C LYS A 14 -0.145 11.834 -0.160 1.00 0.00 C ATOM 181 O LYS A 14 0.021 10.839 -0.864 1.00 0.00 O ATOM 182 CB LYS A 14 -0.521 13.079 1.986 1.00 0.00 C ATOM 183 CG LYS A 14 0.864 13.687 2.126 1.00 0.00 C ATOM 184 CD LYS A 14 1.446 13.436 3.508 1.00 0.00 C ATOM 185 CE LYS A 14 0.591 14.070 4.595 1.00 0.00 C ATOM 186 NZ LYS A 14 1.030 13.658 5.957 1.00 0.00 N ATOM 0 H LYS A 14 0.356 10.969 3.072 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.525 11.274 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.148 13.756 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.973 12.994 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.526 13.265 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.812 14.760 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.522 12.363 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.457 13.839 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.642 15.155 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.451 13.787 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.423 14.111 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.958 12.624 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.017 13.950 6.107 1.00 0.00 H new ATOM 200 N SER A 15 -0.058 13.079 -0.631 1.00 0.00 N ATOM 201 CA SER A 15 0.250 13.368 -2.033 1.00 0.00 C ATOM 202 C SER A 15 1.601 12.805 -2.466 1.00 0.00 C ATOM 203 O SER A 15 2.383 13.490 -3.126 1.00 0.00 O ATOM 204 CB SER A 15 0.223 14.879 -2.273 1.00 0.00 C ATOM 205 OG SER A 15 1.536 15.405 -2.366 1.00 0.00 O ATOM 0 H SER A 15 -0.198 13.910 -0.056 1.00 0.00 H new ATOM 0 HA SER A 15 -0.515 12.878 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.324 15.095 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.312 15.370 -1.460 1.00 0.00 H new ATOM 0 HG SER A 15 2.034 14.922 -3.058 1.00 0.00 H new ATOM 211 N ILE A 16 1.874 11.561 -2.098 1.00 0.00 N ATOM 212 CA ILE A 16 3.122 10.918 -2.452 1.00 0.00 C ATOM 213 C ILE A 16 3.222 10.608 -3.940 1.00 0.00 C ATOM 214 O ILE A 16 2.226 10.609 -4.663 1.00 0.00 O ATOM 215 CB ILE A 16 3.285 9.604 -1.686 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.451 9.714 -0.728 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.484 8.442 -2.648 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.117 8.386 -0.450 1.00 0.00 C ATOM 0 H ILE A 16 1.241 10.978 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 16 3.909 11.624 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 16 2.377 9.412 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.188 10.404 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.102 10.143 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.598 7.517 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.618 8.361 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.379 8.614 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.945 8.532 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.392 7.701 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.495 7.966 -1.382 1.00 0.00 H new ATOM 230 N SER A 17 4.443 10.312 -4.369 1.00 0.00 N ATOM 231 CA SER A 17 4.719 9.957 -5.752 1.00 0.00 C ATOM 232 C SER A 17 5.441 8.615 -5.798 1.00 0.00 C ATOM 233 O SER A 17 6.172 8.267 -4.871 1.00 0.00 O ATOM 234 CB SER A 17 5.567 11.037 -6.427 1.00 0.00 C ATOM 235 OG SER A 17 5.119 11.284 -7.748 1.00 0.00 O ATOM 0 H SER A 17 5.267 10.312 -3.768 1.00 0.00 H new ATOM 0 HA SER A 17 3.775 9.879 -6.292 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.520 11.958 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.611 10.725 -6.446 1.00 0.00 H new ATOM 0 HG SER A 17 5.675 11.979 -8.158 1.00 0.00 H new ATOM 241 N ARG A 18 5.234 7.860 -6.867 1.00 0.00 N ATOM 242 CA ARG A 18 5.870 6.556 -7.006 1.00 0.00 C ATOM 243 C ARG A 18 7.371 6.648 -6.737 1.00 0.00 C ATOM 244 O ARG A 18 7.992 5.684 -6.289 1.00 0.00 O ATOM 245 CB ARG A 18 5.625 5.992 -8.406 1.00 0.00 C ATOM 246 CG ARG A 18 6.388 6.722 -9.498 1.00 0.00 C ATOM 247 CD ARG A 18 7.697 6.023 -9.827 1.00 0.00 C ATOM 248 NE ARG A 18 8.081 6.208 -11.223 1.00 0.00 N ATOM 249 CZ ARG A 18 9.339 6.188 -11.650 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.330 5.993 -10.789 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.609 6.363 -12.936 1.00 0.00 N ATOM 0 H ARG A 18 4.634 8.125 -7.648 1.00 0.00 H new ATOM 0 HA ARG A 18 5.428 5.885 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.907 4.939 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.558 6.039 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.772 6.783 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.591 7.745 -9.180 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.486 6.408 -9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.602 4.958 -9.615 1.00 0.00 H new ATOM 0 HE ARG A 18 7.342 6.361 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.126 5.858 -9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.295 5.978 -11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.850 6.514 -13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.576 6.347 -13.261 1.00 0.00 H new ATOM 265 N ASP A 19 7.949 7.810 -7.023 1.00 0.00 N ATOM 266 CA ASP A 19 9.378 8.028 -6.824 1.00 0.00 C ATOM 267 C ASP A 19 9.741 8.172 -5.345 1.00 0.00 C ATOM 268 O ASP A 19 10.717 7.583 -4.879 1.00 0.00 O ATOM 269 CB ASP A 19 9.830 9.274 -7.589 1.00 0.00 C ATOM 270 CG ASP A 19 11.333 9.317 -7.787 1.00 0.00 C ATOM 271 OD1 ASP A 19 12.049 9.654 -6.821 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.792 9.015 -8.909 1.00 0.00 O ATOM 0 H ASP A 19 7.449 8.617 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 19 9.896 7.149 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.337 9.299 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.512 10.165 -7.047 1.00 0.00 H new ATOM 277 N LYS A 20 8.969 8.974 -4.616 1.00 0.00 N ATOM 278 CA LYS A 20 9.236 9.208 -3.196 1.00 0.00 C ATOM 279 C LYS A 20 9.017 7.952 -2.359 1.00 0.00 C ATOM 280 O LYS A 20 9.888 7.558 -1.577 1.00 0.00 O ATOM 281 CB LYS A 20 8.353 10.339 -2.669 1.00 0.00 C ATOM 282 CG LYS A 20 8.355 11.573 -3.553 1.00 0.00 C ATOM 283 CD LYS A 20 7.114 11.629 -4.425 1.00 0.00 C ATOM 284 CE LYS A 20 6.092 12.611 -3.873 1.00 0.00 C ATOM 285 NZ LYS A 20 5.797 13.706 -4.836 1.00 0.00 N ATOM 0 H LYS A 20 8.157 9.471 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 20 10.285 9.491 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.330 9.975 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.690 10.617 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.406 12.467 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.245 11.570 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.392 11.921 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.669 10.636 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.171 12.080 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.465 13.037 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.810 14.619 -4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.516 13.711 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.858 13.555 -5.257 1.00 0.00 H new ATOM 299 N ALA A 21 7.855 7.323 -2.513 1.00 0.00 N ATOM 300 CA ALA A 21 7.554 6.119 -1.751 1.00 0.00 C ATOM 301 C ALA A 21 8.704 5.127 -1.861 1.00 0.00 C ATOM 302 O ALA A 21 9.249 4.673 -0.854 1.00 0.00 O ATOM 303 CB ALA A 21 6.244 5.497 -2.207 1.00 0.00 C ATOM 0 H ALA A 21 7.117 7.623 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 21 7.437 6.393 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.044 4.600 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.433 6.211 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.314 5.233 -3.262 1.00 0.00 H new ATOM 309 N GLU A 22 9.099 4.815 -3.087 1.00 0.00 N ATOM 310 CA GLU A 22 10.211 3.903 -3.294 1.00 0.00 C ATOM 311 C GLU A 22 11.429 4.435 -2.552 1.00 0.00 C ATOM 312 O GLU A 22 12.142 3.689 -1.873 1.00 0.00 O ATOM 313 CB GLU A 22 10.518 3.752 -4.785 1.00 0.00 C ATOM 314 CG GLU A 22 9.399 3.093 -5.574 1.00 0.00 C ATOM 315 CD GLU A 22 9.901 1.999 -6.495 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.002 1.466 -6.240 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.193 1.674 -7.472 1.00 0.00 O ATOM 0 H GLU A 22 8.673 5.174 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 22 9.947 2.919 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.718 4.737 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.428 3.164 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.669 2.673 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.881 3.849 -6.163 1.00 0.00 H new ATOM 324 N LYS A 23 11.636 5.745 -2.663 1.00 0.00 N ATOM 325 CA LYS A 23 12.740 6.402 -1.983 1.00 0.00 C ATOM 326 C LYS A 23 12.623 6.161 -0.487 1.00 0.00 C ATOM 327 O LYS A 23 13.572 5.711 0.156 1.00 0.00 O ATOM 328 CB LYS A 23 12.738 7.903 -2.279 1.00 0.00 C ATOM 329 CG LYS A 23 12.385 8.760 -1.074 1.00 0.00 C ATOM 330 CD LYS A 23 12.824 10.202 -1.269 1.00 0.00 C ATOM 331 CE LYS A 23 12.552 11.039 -0.030 1.00 0.00 C ATOM 332 NZ LYS A 23 13.650 10.926 0.970 1.00 0.00 N ATOM 0 H LYS A 23 11.051 6.369 -3.219 1.00 0.00 H new ATOM 0 HA LYS A 23 13.680 5.986 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.722 8.194 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.027 8.106 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.309 8.726 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.861 8.351 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.888 10.231 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.299 10.631 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.429 12.083 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.614 10.721 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.426 11.512 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.751 9.934 1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.541 11.254 0.546 1.00 0.00 H new ATOM 346 N LEU A 24 11.440 6.436 0.061 1.00 0.00 N ATOM 347 CA LEU A 24 11.204 6.215 1.480 1.00 0.00 C ATOM 348 C LEU A 24 11.370 4.737 1.797 1.00 0.00 C ATOM 349 O LEU A 24 11.961 4.370 2.812 1.00 0.00 O ATOM 350 CB LEU A 24 9.807 6.689 1.895 1.00 0.00 C ATOM 351 CG LEU A 24 8.701 6.463 0.865 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.102 5.071 1.007 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.620 7.523 1.012 1.00 0.00 C ATOM 0 H LEU A 24 10.641 6.808 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 24 11.933 6.797 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.529 6.180 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.856 7.754 2.121 1.00 0.00 H new ATOM 0 HG LEU A 24 9.139 6.543 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.317 4.935 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.880 4.323 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.679 4.957 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.838 7.350 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.191 7.469 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.055 8.510 0.857 1.00 0.00 H new ATOM 365 N LEU A 25 10.858 3.890 0.906 1.00 0.00 N ATOM 366 CA LEU A 25 10.972 2.448 1.082 1.00 0.00 C ATOM 367 C LEU A 25 12.436 2.043 1.110 1.00 0.00 C ATOM 368 O LEU A 25 12.883 1.344 2.020 1.00 0.00 O ATOM 369 CB LEU A 25 10.259 1.706 -0.046 1.00 0.00 C ATOM 370 CG LEU A 25 8.731 1.758 0.007 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.130 1.079 -1.213 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.223 1.111 1.285 1.00 0.00 C ATOM 0 H LEU A 25 10.364 4.177 0.061 1.00 0.00 H new ATOM 0 HA LEU A 25 10.501 2.181 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.588 2.122 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.572 0.662 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 25 8.421 2.803 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.042 1.126 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.469 1.587 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.447 0.036 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.134 1.156 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.544 0.070 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.626 1.643 2.147 1.00 0.00 H new ATOM 384 N LEU A 26 13.181 2.493 0.107 1.00 0.00 N ATOM 385 CA LEU A 26 14.601 2.183 0.018 1.00 0.00 C ATOM 386 C LEU A 26 15.305 2.529 1.326 1.00 0.00 C ATOM 387 O LEU A 26 16.286 1.889 1.704 1.00 0.00 O ATOM 388 CB LEU A 26 15.241 2.954 -1.136 1.00 0.00 C ATOM 389 CG LEU A 26 15.634 2.104 -2.345 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.770 1.158 -1.985 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.434 1.326 -2.861 1.00 0.00 C ATOM 0 H LEU A 26 12.826 3.072 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 26 14.708 1.114 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.547 3.727 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.131 3.462 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 26 15.979 2.769 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.037 0.561 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.636 1.736 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.452 0.499 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.732 0.727 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.059 0.671 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.649 2.022 -3.158 1.00 0.00 H new ATOM 403 N ASP A 27 14.792 3.546 2.012 1.00 0.00 N ATOM 404 CA ASP A 27 15.365 3.981 3.281 1.00 0.00 C ATOM 405 C ASP A 27 14.944 3.051 4.413 1.00 0.00 C ATOM 406 O ASP A 27 15.774 2.614 5.211 1.00 0.00 O ATOM 407 CB ASP A 27 14.933 5.414 3.595 1.00 0.00 C ATOM 408 CG ASP A 27 14.174 5.516 4.904 1.00 0.00 C ATOM 409 OD1 ASP A 27 12.937 5.346 4.888 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.818 5.764 5.945 1.00 0.00 O ATOM 0 H ASP A 27 13.980 4.084 1.710 1.00 0.00 H new ATOM 0 HA ASP A 27 16.451 3.948 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.814 6.055 3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.306 5.787 2.785 1.00 0.00 H new ATOM 415 N THR A 28 13.651 2.746 4.474 1.00 0.00 N ATOM 416 CA THR A 28 13.124 1.859 5.505 1.00 0.00 C ATOM 417 C THR A 28 13.721 0.459 5.346 1.00 0.00 C ATOM 418 O THR A 28 14.333 -0.078 6.269 1.00 0.00 O ATOM 419 CB THR A 28 11.600 1.820 5.409 1.00 0.00 C ATOM 420 OG1 THR A 28 11.026 1.330 6.606 1.00 0.00 O ATOM 421 CG2 THR A 28 11.102 0.969 4.266 1.00 0.00 C ATOM 0 H THR A 28 12.950 3.100 3.823 1.00 0.00 H new ATOM 0 HA THR A 28 13.402 2.234 6.490 1.00 0.00 H new ATOM 0 HB THR A 28 11.294 2.851 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.678 2.080 7.132 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.012 0.982 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.482 1.365 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.451 -0.055 4.396 1.00 0.00 H new ATOM 429 N GLY A 29 13.575 -0.099 4.148 1.00 0.00 N ATOM 430 CA GLY A 29 14.138 -1.406 3.841 1.00 0.00 C ATOM 431 C GLY A 29 13.631 -2.560 4.697 1.00 0.00 C ATOM 432 O GLY A 29 14.407 -3.173 5.432 1.00 0.00 O ATOM 0 H GLY A 29 13.071 0.335 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.930 -1.634 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.221 -1.348 3.946 1.00 0.00 H new ATOM 436 N LYS A 30 12.347 -2.889 4.578 1.00 0.00 N ATOM 437 CA LYS A 30 11.779 -4.011 5.320 1.00 0.00 C ATOM 438 C LYS A 30 11.023 -4.928 4.376 1.00 0.00 C ATOM 439 O LYS A 30 10.051 -4.519 3.740 1.00 0.00 O ATOM 440 CB LYS A 30 10.832 -3.537 6.409 1.00 0.00 C ATOM 441 CG LYS A 30 11.315 -2.293 7.111 1.00 0.00 C ATOM 442 CD LYS A 30 11.307 -1.108 6.179 1.00 0.00 C ATOM 443 CE LYS A 30 9.957 -0.964 5.510 1.00 0.00 C ATOM 444 NZ LYS A 30 9.165 0.135 6.123 1.00 0.00 N ATOM 0 H LYS A 30 11.684 -2.398 3.979 1.00 0.00 H new ATOM 0 HA LYS A 30 12.605 -4.548 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.852 -3.343 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.702 -4.334 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.679 -2.087 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.324 -2.454 7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.542 -0.200 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.083 -1.228 5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.095 -0.767 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.406 -1.901 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.573 0.584 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.557 -0.252 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.810 0.842 6.530 1.00 0.00 H new ATOM 458 N GLU A 31 11.476 -6.161 4.288 1.00 0.00 N ATOM 459 CA GLU A 31 10.844 -7.135 3.415 1.00 0.00 C ATOM 460 C GLU A 31 9.337 -6.931 3.418 1.00 0.00 C ATOM 461 O GLU A 31 8.664 -7.214 4.408 1.00 0.00 O ATOM 462 CB GLU A 31 11.183 -8.557 3.866 1.00 0.00 C ATOM 463 CG GLU A 31 10.302 -9.622 3.231 1.00 0.00 C ATOM 464 CD GLU A 31 10.267 -10.905 4.040 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.351 -11.432 4.366 1.00 0.00 O ATOM 466 OE2 GLU A 31 9.154 -11.382 4.346 1.00 0.00 O ATOM 0 H GLU A 31 12.279 -6.515 4.809 1.00 0.00 H new ATOM 0 HA GLU A 31 11.221 -6.994 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.225 -8.767 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.089 -8.618 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.288 -9.235 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.666 -9.839 2.227 1.00 0.00 H new ATOM 473 N GLY A 32 8.815 -6.427 2.308 1.00 0.00 N ATOM 474 CA GLY A 32 7.394 -6.181 2.212 1.00 0.00 C ATOM 475 C GLY A 32 7.033 -4.791 2.682 1.00 0.00 C ATOM 476 O GLY A 32 5.896 -4.536 3.077 1.00 0.00 O ATOM 0 H GLY A 32 9.351 -6.185 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.071 -6.311 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.856 -6.918 2.809 1.00 0.00 H new ATOM 480 N ALA A 33 8.003 -3.881 2.628 1.00 0.00 N ATOM 481 CA ALA A 33 7.772 -2.505 3.040 1.00 0.00 C ATOM 482 C ALA A 33 6.486 -1.992 2.400 1.00 0.00 C ATOM 483 O ALA A 33 6.384 -1.935 1.176 1.00 0.00 O ATOM 484 CB ALA A 33 8.953 -1.644 2.636 1.00 0.00 C ATOM 0 H ALA A 33 8.951 -4.073 2.304 1.00 0.00 H new ATOM 0 HA ALA A 33 7.666 -2.458 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.776 -0.614 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.857 -2.018 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.076 -1.680 1.554 1.00 0.00 H new ATOM 490 N PHE A 34 5.493 -1.656 3.214 1.00 0.00 N ATOM 491 CA PHE A 34 4.213 -1.197 2.680 1.00 0.00 C ATOM 492 C PHE A 34 3.980 0.299 2.869 1.00 0.00 C ATOM 493 O PHE A 34 4.113 0.833 3.966 1.00 0.00 O ATOM 494 CB PHE A 34 3.063 -1.962 3.326 1.00 0.00 C ATOM 495 CG PHE A 34 1.752 -1.262 3.159 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.224 -1.071 1.904 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.054 -0.777 4.246 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.031 -0.414 1.733 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.130 -0.118 4.081 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.647 0.068 2.826 1.00 0.00 C ATOM 0 H PHE A 34 5.545 -1.691 4.232 1.00 0.00 H new ATOM 0 HA PHE A 34 4.249 -1.390 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.999 -2.958 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.269 -2.095 4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.755 -1.443 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.450 -0.921 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.374 -0.276 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.661 0.258 4.943 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.583 0.591 2.697 1.00 0.00 H new ATOM 510 N MET A 35 3.595 0.962 1.783 1.00 0.00 N ATOM 511 CA MET A 35 3.299 2.388 1.820 1.00 0.00 C ATOM 512 C MET A 35 2.028 2.680 1.028 1.00 0.00 C ATOM 513 O MET A 35 1.648 1.900 0.157 1.00 0.00 O ATOM 514 CB MET A 35 4.468 3.193 1.259 1.00 0.00 C ATOM 515 CG MET A 35 4.099 4.608 0.856 1.00 0.00 C ATOM 516 SD MET A 35 4.068 5.734 2.260 1.00 0.00 S ATOM 517 CE MET A 35 5.734 5.535 2.882 1.00 0.00 C ATOM 0 H MET A 35 3.481 0.532 0.865 1.00 0.00 H new ATOM 0 HA MET A 35 3.144 2.684 2.858 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.261 3.233 2.006 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.873 2.672 0.391 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.814 4.971 0.118 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.120 4.603 0.376 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.869 6.157 3.767 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.902 4.490 3.143 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.447 5.837 2.115 1.00 0.00 H new ATOM 527 N VAL A 36 1.372 3.798 1.328 1.00 0.00 N ATOM 528 CA VAL A 36 0.146 4.164 0.621 1.00 0.00 C ATOM 529 C VAL A 36 0.134 5.636 0.242 1.00 0.00 C ATOM 530 O VAL A 36 0.712 6.473 0.935 1.00 0.00 O ATOM 531 CB VAL A 36 -1.115 3.862 1.442 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.363 4.127 0.614 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.090 2.431 1.930 1.00 0.00 C ATOM 0 H VAL A 36 1.664 4.460 2.047 1.00 0.00 H new ATOM 0 HA VAL A 36 0.135 3.553 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.135 4.522 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.249 3.908 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.381 5.173 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.355 3.490 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.990 2.229 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.051 1.756 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.211 2.275 2.556 1.00 0.00 H new ATOM 543 N ARG A 37 -0.527 5.947 -0.868 1.00 0.00 N ATOM 544 CA ARG A 37 -0.610 7.318 -1.340 1.00 0.00 C ATOM 545 C ARG A 37 -1.909 7.572 -2.099 1.00 0.00 C ATOM 546 O ARG A 37 -2.326 6.763 -2.928 1.00 0.00 O ATOM 547 CB ARG A 37 0.607 7.627 -2.212 1.00 0.00 C ATOM 548 CG ARG A 37 0.287 7.829 -3.682 1.00 0.00 C ATOM 549 CD ARG A 37 1.229 7.016 -4.554 1.00 0.00 C ATOM 550 NE ARG A 37 1.310 7.526 -5.920 1.00 0.00 N ATOM 551 CZ ARG A 37 0.253 7.843 -6.665 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.974 7.674 -6.194 1.00 0.00 N ATOM 553 NH2 ARG A 37 0.426 8.317 -7.891 1.00 0.00 N ATOM 0 H ARG A 37 -1.011 5.267 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.612 7.985 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.093 8.525 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.324 6.811 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.744 7.534 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.370 8.886 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.224 7.020 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.894 5.979 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 37 2.236 7.647 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.113 7.299 -5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.780 7.919 -6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.368 8.438 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.383 8.560 -8.463 1.00 0.00 H new ATOM 567 N ASP A 38 -2.544 8.702 -1.803 1.00 0.00 N ATOM 568 CA ASP A 38 -3.800 9.073 -2.446 1.00 0.00 C ATOM 569 C ASP A 38 -3.680 9.029 -3.967 1.00 0.00 C ATOM 570 O ASP A 38 -2.613 9.283 -4.525 1.00 0.00 O ATOM 571 CB ASP A 38 -4.235 10.468 -1.997 1.00 0.00 C ATOM 572 CG ASP A 38 -5.714 10.713 -2.224 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.208 10.384 -3.323 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.377 11.234 -1.303 1.00 0.00 O ATOM 0 H ASP A 38 -2.207 9.379 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.555 8.347 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.007 10.594 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.658 11.218 -2.539 1.00 0.00 H new ATOM 579 N SER A 39 -4.787 8.701 -4.627 1.00 0.00 N ATOM 580 CA SER A 39 -4.818 8.614 -6.081 1.00 0.00 C ATOM 581 C SER A 39 -5.674 9.725 -6.684 1.00 0.00 C ATOM 582 O SER A 39 -6.084 10.655 -5.991 1.00 0.00 O ATOM 583 CB SER A 39 -5.367 7.255 -6.509 1.00 0.00 C ATOM 584 OG SER A 39 -5.543 7.193 -7.914 1.00 0.00 O ATOM 0 H SER A 39 -5.677 8.491 -4.175 1.00 0.00 H new ATOM 0 HA SER A 39 -3.798 8.730 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.684 6.467 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.320 7.072 -6.012 1.00 0.00 H new ATOM 0 HG SER A 39 -6.487 7.340 -8.132 1.00 0.00 H new ATOM 590 N ARG A 40 -5.944 9.612 -7.983 1.00 0.00 N ATOM 591 CA ARG A 40 -6.757 10.594 -8.690 1.00 0.00 C ATOM 592 C ARG A 40 -8.039 9.950 -9.210 1.00 0.00 C ATOM 593 O ARG A 40 -9.104 10.565 -9.208 1.00 0.00 O ATOM 594 CB ARG A 40 -5.969 11.204 -9.850 1.00 0.00 C ATOM 595 CG ARG A 40 -5.953 12.724 -9.843 1.00 0.00 C ATOM 596 CD ARG A 40 -4.989 13.267 -8.801 1.00 0.00 C ATOM 597 NE ARG A 40 -5.503 13.105 -7.444 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.235 14.023 -6.821 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.536 15.162 -7.432 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.667 13.804 -5.587 1.00 0.00 N ATOM 0 H ARG A 40 -5.609 8.846 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.022 11.387 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.943 10.838 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.397 10.858 -10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.668 13.090 -10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.957 13.098 -9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.032 12.753 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.803 14.323 -8.995 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.289 12.240 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.205 15.334 -8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.098 15.865 -6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.438 12.930 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.229 14.510 -5.111 1.00 0.00 H new ATOM 614 N THR A 41 -7.922 8.699 -9.647 1.00 0.00 N ATOM 615 CA THR A 41 -9.061 7.948 -10.162 1.00 0.00 C ATOM 616 C THR A 41 -10.250 8.066 -9.203 1.00 0.00 C ATOM 617 O THR A 41 -10.297 8.987 -8.389 1.00 0.00 O ATOM 618 CB THR A 41 -8.655 6.486 -10.357 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.388 5.888 -11.410 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.836 5.642 -9.113 1.00 0.00 C ATOM 0 H THR A 41 -7.043 8.182 -9.654 1.00 0.00 H new ATOM 0 HA THR A 41 -9.367 8.359 -11.124 1.00 0.00 H new ATOM 0 HB THR A 41 -7.592 6.514 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.191 4.929 -11.442 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.530 4.617 -9.321 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.225 6.047 -8.306 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.884 5.654 -8.815 1.00 0.00 H new ATOM 628 N PRO A 42 -11.231 7.143 -9.274 1.00 0.00 N ATOM 629 CA PRO A 42 -12.406 7.177 -8.397 1.00 0.00 C ATOM 630 C PRO A 42 -12.058 7.531 -6.951 1.00 0.00 C ATOM 631 O PRO A 42 -12.945 7.668 -6.107 1.00 0.00 O ATOM 632 CB PRO A 42 -12.939 5.752 -8.496 1.00 0.00 C ATOM 633 CG PRO A 42 -12.599 5.335 -9.884 1.00 0.00 C ATOM 634 CD PRO A 42 -11.286 6.002 -10.211 1.00 0.00 C ATOM 0 HA PRO A 42 -13.122 7.943 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.473 5.099 -7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.014 5.715 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.514 4.251 -9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.376 5.640 -10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.445 5.324 -10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.253 6.334 -11.249 1.00 0.00 H new ATOM 642 N GLY A 43 -10.767 7.690 -6.674 1.00 0.00 N ATOM 643 CA GLY A 43 -10.329 8.040 -5.337 1.00 0.00 C ATOM 644 C GLY A 43 -9.553 6.942 -4.661 1.00 0.00 C ATOM 645 O GLY A 43 -9.348 6.965 -3.447 1.00 0.00 O ATOM 0 H GLY A 43 -10.015 7.582 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.710 8.936 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.200 8.288 -4.730 1.00 0.00 H new ATOM 649 N THR A 44 -9.098 5.992 -5.452 1.00 0.00 N ATOM 650 CA THR A 44 -8.312 4.890 -4.938 1.00 0.00 C ATOM 651 C THR A 44 -7.138 5.402 -4.138 1.00 0.00 C ATOM 652 O THR A 44 -6.706 6.542 -4.298 1.00 0.00 O ATOM 653 CB THR A 44 -7.733 4.084 -6.092 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.021 2.954 -5.624 1.00 0.00 O ATOM 655 CG2 THR A 44 -6.780 4.904 -6.931 1.00 0.00 C ATOM 0 H THR A 44 -9.260 5.962 -6.459 1.00 0.00 H new ATOM 0 HA THR A 44 -8.968 4.281 -4.316 1.00 0.00 H new ATOM 0 HB THR A 44 -8.586 3.774 -6.696 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.569 2.469 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.390 4.290 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.307 5.763 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.954 5.251 -6.310 1.00 0.00 H new ATOM 663 N TYR A 45 -6.573 4.522 -3.346 1.00 0.00 N ATOM 664 CA TYR A 45 -5.381 4.853 -2.598 1.00 0.00 C ATOM 665 C TYR A 45 -4.225 4.112 -3.225 1.00 0.00 C ATOM 666 O TYR A 45 -4.409 3.054 -3.829 1.00 0.00 O ATOM 667 CB TYR A 45 -5.491 4.491 -1.126 1.00 0.00 C ATOM 668 CG TYR A 45 -6.601 5.211 -0.418 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.922 4.867 -0.646 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.328 6.235 0.478 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.948 5.521 -0.001 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.348 6.897 1.131 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.659 6.536 0.889 1.00 0.00 C ATOM 674 OH TYR A 45 -9.682 7.192 1.534 1.00 0.00 O ATOM 0 H TYR A 45 -6.918 3.573 -3.202 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.233 5.932 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.648 3.416 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.547 4.718 -0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.152 4.073 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.303 6.518 0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.974 5.241 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.123 7.692 1.826 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.309 7.878 2.126 1.00 0.00 H new ATOM 684 N THR A 46 -3.045 4.655 -3.091 1.00 0.00 N ATOM 685 CA THR A 46 -1.878 4.022 -3.660 1.00 0.00 C ATOM 686 C THR A 46 -1.080 3.340 -2.570 1.00 0.00 C ATOM 687 O THR A 46 -0.945 3.864 -1.470 1.00 0.00 O ATOM 688 CB THR A 46 -1.033 5.040 -4.417 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.845 5.812 -5.280 1.00 0.00 O ATOM 690 CG2 THR A 46 0.055 4.400 -5.253 1.00 0.00 C ATOM 0 H THR A 46 -2.863 5.529 -2.597 1.00 0.00 H new ATOM 0 HA THR A 46 -2.195 3.263 -4.375 1.00 0.00 H new ATOM 0 HB THR A 46 -0.564 5.663 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.449 5.825 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.622 5.176 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.723 3.831 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.396 3.732 -5.987 1.00 0.00 H new ATOM 698 N VAL A 47 -0.579 2.156 -2.875 1.00 0.00 N ATOM 699 CA VAL A 47 0.180 1.388 -1.909 1.00 0.00 C ATOM 700 C VAL A 47 1.556 1.034 -2.430 1.00 0.00 C ATOM 701 O VAL A 47 1.697 0.238 -3.356 1.00 0.00 O ATOM 702 CB VAL A 47 -0.545 0.091 -1.526 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.445 -0.907 -0.939 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.680 0.386 -0.558 1.00 0.00 C ATOM 0 H VAL A 47 -0.685 1.707 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 47 0.281 2.023 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.981 -0.354 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.079 -1.824 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.215 -1.132 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.908 -0.480 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.185 -0.544 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.278 0.848 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.391 1.065 -1.028 1.00 0.00 H new ATOM 714 N SER A 48 2.572 1.608 -1.813 1.00 0.00 N ATOM 715 CA SER A 48 3.937 1.326 -2.204 1.00 0.00 C ATOM 716 C SER A 48 4.468 0.160 -1.379 1.00 0.00 C ATOM 717 O SER A 48 4.649 0.282 -0.163 1.00 0.00 O ATOM 718 CB SER A 48 4.831 2.552 -2.013 1.00 0.00 C ATOM 719 OG SER A 48 5.640 2.775 -3.155 1.00 0.00 O ATOM 0 H SER A 48 2.477 2.269 -1.042 1.00 0.00 H new ATOM 0 HA SER A 48 3.948 1.065 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.214 3.430 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.464 2.412 -1.137 1.00 0.00 H new ATOM 0 HG SER A 48 5.087 2.724 -3.963 1.00 0.00 H new ATOM 725 N VAL A 49 4.708 -0.968 -2.036 1.00 0.00 N ATOM 726 CA VAL A 49 5.217 -2.147 -1.352 1.00 0.00 C ATOM 727 C VAL A 49 6.663 -2.401 -1.742 1.00 0.00 C ATOM 728 O VAL A 49 6.966 -2.685 -2.903 1.00 0.00 O ATOM 729 CB VAL A 49 4.374 -3.395 -1.660 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.893 -3.090 -1.502 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.682 -3.911 -3.056 1.00 0.00 C ATOM 0 H VAL A 49 4.559 -1.090 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 49 5.155 -1.952 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 49 4.633 -4.177 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.312 -3.985 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.694 -2.773 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.610 -2.294 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.077 -4.795 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.452 -3.138 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.738 -4.171 -3.123 1.00 0.00 H new ATOM 741 N PHE A 50 7.549 -2.270 -0.764 1.00 0.00 N ATOM 742 CA PHE A 50 8.977 -2.451 -0.983 1.00 0.00 C ATOM 743 C PHE A 50 9.456 -3.799 -0.450 1.00 0.00 C ATOM 744 O PHE A 50 9.271 -4.122 0.728 1.00 0.00 O ATOM 745 CB PHE A 50 9.724 -1.298 -0.315 1.00 0.00 C ATOM 746 CG PHE A 50 11.187 -1.534 -0.090 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.625 -2.381 0.916 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.127 -0.886 -0.874 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.972 -2.578 1.130 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.475 -1.076 -0.662 1.00 0.00 C ATOM 751 CZ PHE A 50 13.898 -1.923 0.341 1.00 0.00 C ATOM 0 H PHE A 50 7.300 -2.037 0.197 1.00 0.00 H new ATOM 0 HA PHE A 50 9.180 -2.447 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.606 -0.405 -0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.254 -1.089 0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.904 -2.891 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.799 -0.223 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.303 -3.243 1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.198 -0.563 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.954 -2.074 0.510 1.00 0.00 H new ATOM 761 N THR A 51 10.065 -4.582 -1.340 1.00 0.00 N ATOM 762 CA THR A 51 10.571 -5.907 -0.994 1.00 0.00 C ATOM 763 C THR A 51 12.071 -6.017 -1.218 1.00 0.00 C ATOM 764 O THR A 51 12.580 -5.572 -2.246 1.00 0.00 O ATOM 765 CB THR A 51 9.901 -6.977 -1.848 1.00 0.00 C ATOM 766 OG1 THR A 51 8.529 -7.110 -1.523 1.00 0.00 O ATOM 767 CG2 THR A 51 10.553 -8.331 -1.695 1.00 0.00 C ATOM 0 H THR A 51 10.220 -4.317 -2.313 1.00 0.00 H new ATOM 0 HA THR A 51 10.347 -6.056 0.062 1.00 0.00 H new ATOM 0 HB THR A 51 10.014 -6.643 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.438 -7.333 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.037 -9.056 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.599 -8.267 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.494 -8.648 -0.654 1.00 0.00 H new ATOM 775 N LYS A 52 12.767 -6.657 -0.284 1.00 0.00 N ATOM 776 CA LYS A 52 14.198 -6.866 -0.426 1.00 0.00 C ATOM 777 C LYS A 52 14.450 -7.809 -1.593 1.00 0.00 C ATOM 778 O LYS A 52 13.532 -8.483 -2.060 1.00 0.00 O ATOM 779 CB LYS A 52 14.788 -7.457 0.854 1.00 0.00 C ATOM 780 CG LYS A 52 15.026 -6.434 1.949 1.00 0.00 C ATOM 781 CD LYS A 52 14.198 -5.179 1.736 1.00 0.00 C ATOM 782 CE LYS A 52 12.868 -5.273 2.460 1.00 0.00 C ATOM 783 NZ LYS A 52 11.719 -5.007 1.553 1.00 0.00 N ATOM 0 H LYS A 52 12.364 -7.037 0.573 1.00 0.00 H new ATOM 0 HA LYS A 52 14.680 -5.906 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.116 -8.228 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.732 -7.946 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.780 -6.872 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.084 -6.172 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.750 -4.310 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.026 -5.030 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.763 -6.266 2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.852 -4.559 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.904 -4.681 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.983 -4.273 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.466 -5.880 1.048 1.00 0.00 H new ATOM 797 N ALA A 53 15.682 -7.857 -2.069 1.00 0.00 N ATOM 798 CA ALA A 53 16.017 -8.727 -3.185 1.00 0.00 C ATOM 799 C ALA A 53 17.480 -8.567 -3.585 1.00 0.00 C ATOM 800 O ALA A 53 17.823 -7.714 -4.403 1.00 0.00 O ATOM 801 CB ALA A 53 15.091 -8.437 -4.361 1.00 0.00 C ATOM 0 H ALA A 53 16.462 -7.309 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 53 15.876 -9.763 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.346 -9.091 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.058 -8.615 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.206 -7.397 -4.667 1.00 0.00 H new ATOM 807 N ILE A 54 18.337 -9.395 -2.992 1.00 0.00 N ATOM 808 CA ILE A 54 19.768 -9.356 -3.271 1.00 0.00 C ATOM 809 C ILE A 54 20.528 -8.676 -2.135 1.00 0.00 C ATOM 810 O ILE A 54 20.551 -9.175 -1.009 1.00 0.00 O ATOM 811 CB ILE A 54 20.071 -8.629 -4.595 1.00 0.00 C ATOM 812 CG1 ILE A 54 19.320 -9.294 -5.749 1.00 0.00 C ATOM 813 CG2 ILE A 54 21.568 -8.624 -4.865 1.00 0.00 C ATOM 814 CD1 ILE A 54 19.629 -10.768 -5.901 1.00 0.00 C ATOM 0 H ILE A 54 18.062 -10.104 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 54 20.101 -10.390 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 54 19.732 -7.596 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.248 -9.170 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 54 19.569 -8.781 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.767 -8.107 -5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.083 -8.111 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.929 -9.650 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.062 -11.174 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.695 -10.899 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.353 -11.294 -4.987 1.00 0.00 H new ATOM 826 N ILE A 55 21.145 -7.536 -2.429 1.00 0.00 N ATOM 827 CA ILE A 55 21.899 -6.796 -1.423 1.00 0.00 C ATOM 828 C ILE A 55 22.248 -5.393 -1.908 1.00 0.00 C ATOM 829 O ILE A 55 22.120 -4.420 -1.166 1.00 0.00 O ATOM 830 CB ILE A 55 23.200 -7.531 -1.037 1.00 0.00 C ATOM 831 CG1 ILE A 55 24.254 -7.365 -2.134 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.921 -9.005 -0.782 1.00 0.00 C ATOM 833 CD1 ILE A 55 24.005 -8.231 -3.348 1.00 0.00 C ATOM 0 H ILE A 55 21.138 -7.105 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 55 21.256 -6.722 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 55 23.588 -7.090 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.283 -6.320 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.235 -7.603 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.849 -9.509 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.203 -9.104 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.511 -9.459 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.791 -8.061 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.005 -9.280 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.039 -7.977 -3.784 1.00 0.00 H new ATOM 845 N SER A 56 22.689 -5.295 -3.158 1.00 0.00 N ATOM 846 CA SER A 56 23.056 -4.009 -3.739 1.00 0.00 C ATOM 847 C SER A 56 21.835 -3.107 -3.883 1.00 0.00 C ATOM 848 O SER A 56 21.821 -1.980 -3.390 1.00 0.00 O ATOM 849 CB SER A 56 23.718 -4.212 -5.104 1.00 0.00 C ATOM 850 OG SER A 56 24.872 -5.027 -4.995 1.00 0.00 O ATOM 0 H SER A 56 22.801 -6.090 -3.787 1.00 0.00 H new ATOM 0 HA SER A 56 23.765 -3.525 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.008 -4.672 -5.791 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.990 -3.245 -5.527 1.00 0.00 H new ATOM 0 HG SER A 56 25.275 -5.143 -5.881 1.00 0.00 H new ATOM 856 N GLU A 57 20.812 -3.613 -4.564 1.00 0.00 N ATOM 857 CA GLU A 57 19.584 -2.856 -4.776 1.00 0.00 C ATOM 858 C GLU A 57 18.682 -3.565 -5.779 1.00 0.00 C ATOM 859 O GLU A 57 18.151 -2.945 -6.700 1.00 0.00 O ATOM 860 CB GLU A 57 19.907 -1.445 -5.272 1.00 0.00 C ATOM 861 CG GLU A 57 19.912 -1.319 -6.786 1.00 0.00 C ATOM 862 CD GLU A 57 21.106 -0.539 -7.304 1.00 0.00 C ATOM 863 OE1 GLU A 57 22.136 -0.496 -6.600 1.00 0.00 O ATOM 864 OE2 GLU A 57 21.008 0.030 -8.411 1.00 0.00 O ATOM 0 H GLU A 57 20.809 -4.545 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 57 19.059 -2.785 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 57 19.177 -0.748 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 57 20.883 -1.148 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.913 -2.315 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.994 -0.828 -7.109 1.00 0.00 H new ATOM 871 N ASN A 58 18.519 -4.871 -5.596 1.00 0.00 N ATOM 872 CA ASN A 58 17.685 -5.668 -6.487 1.00 0.00 C ATOM 873 C ASN A 58 16.252 -5.777 -5.968 1.00 0.00 C ATOM 874 O ASN A 58 15.352 -6.176 -6.706 1.00 0.00 O ATOM 875 CB ASN A 58 18.281 -7.065 -6.662 1.00 0.00 C ATOM 876 CG ASN A 58 18.646 -7.363 -8.103 1.00 0.00 C ATOM 877 OD1 ASN A 58 19.488 -6.686 -8.695 1.00 0.00 O ATOM 878 ND2 ASN A 58 18.011 -8.378 -8.676 1.00 0.00 N ATOM 0 H ASN A 58 18.953 -5.399 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 58 17.657 -5.162 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 58 19.170 -7.158 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.566 -7.809 -6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.213 -8.624 -9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.321 -8.912 -8.147 1.00 0.00 H new ATOM 885 N PRO A 59 16.014 -5.419 -4.693 1.00 0.00 N ATOM 886 CA PRO A 59 14.675 -5.481 -4.109 1.00 0.00 C ATOM 887 C PRO A 59 13.632 -4.886 -5.046 1.00 0.00 C ATOM 888 O PRO A 59 13.974 -4.341 -6.095 1.00 0.00 O ATOM 889 CB PRO A 59 14.805 -4.652 -2.832 1.00 0.00 C ATOM 890 CG PRO A 59 16.245 -4.748 -2.455 1.00 0.00 C ATOM 891 CD PRO A 59 17.019 -4.921 -3.738 1.00 0.00 C ATOM 0 HA PRO A 59 14.344 -6.503 -3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.510 -3.617 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.163 -5.041 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.567 -3.851 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.414 -5.591 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.455 -3.979 -4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.840 -5.628 -3.617 1.00 0.00 H new ATOM 899 N CYS A 60 12.360 -4.999 -4.679 1.00 0.00 N ATOM 900 CA CYS A 60 11.293 -4.475 -5.521 1.00 0.00 C ATOM 901 C CYS A 60 10.279 -3.664 -4.727 1.00 0.00 C ATOM 902 O CYS A 60 9.919 -4.016 -3.604 1.00 0.00 O ATOM 903 CB CYS A 60 10.574 -5.616 -6.240 1.00 0.00 C ATOM 904 SG CYS A 60 8.780 -5.616 -6.013 1.00 0.00 S ATOM 0 H CYS A 60 12.046 -5.443 -3.816 1.00 0.00 H new ATOM 0 HA CYS A 60 11.761 -3.812 -6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.795 -5.556 -7.306 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.975 -6.565 -5.884 1.00 0.00 H new ATOM 0 HG CYS A 60 8.196 -5.504 -7.169 1.00 0.00 H new ATOM 910 N ILE A 61 9.799 -2.594 -5.346 1.00 0.00 N ATOM 911 CA ILE A 61 8.793 -1.736 -4.736 1.00 0.00 C ATOM 912 C ILE A 61 7.577 -1.645 -5.641 1.00 0.00 C ATOM 913 O ILE A 61 7.617 -0.991 -6.683 1.00 0.00 O ATOM 914 CB ILE A 61 9.316 -0.314 -4.467 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.517 -0.355 -3.521 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.199 0.543 -3.882 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.662 -1.201 -4.036 1.00 0.00 C ATOM 0 H ILE A 61 10.093 -2.298 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 61 8.531 -2.186 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 61 9.643 0.128 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.873 0.662 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.195 -0.743 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.573 1.549 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.370 0.591 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.854 0.102 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.479 -1.185 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.322 -2.227 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.010 -0.801 -4.988 1.00 0.00 H new ATOM 929 N LYS A 62 6.501 -2.311 -5.250 1.00 0.00 N ATOM 930 CA LYS A 62 5.284 -2.302 -6.052 1.00 0.00 C ATOM 931 C LYS A 62 4.255 -1.341 -5.476 1.00 0.00 C ATOM 932 O LYS A 62 3.897 -1.424 -4.302 1.00 0.00 O ATOM 933 CB LYS A 62 4.700 -3.713 -6.148 1.00 0.00 C ATOM 934 CG LYS A 62 5.723 -4.761 -6.553 1.00 0.00 C ATOM 935 CD LYS A 62 5.415 -6.114 -5.932 1.00 0.00 C ATOM 936 CE LYS A 62 4.517 -6.949 -6.830 1.00 0.00 C ATOM 937 NZ LYS A 62 3.198 -6.297 -7.055 1.00 0.00 N ATOM 0 H LYS A 62 6.444 -2.859 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 62 5.542 -1.959 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.271 -3.987 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.885 -3.713 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.739 -4.854 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.717 -4.437 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.346 -6.650 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.932 -5.970 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.011 -7.110 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.365 -7.930 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.531 -6.991 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.830 -5.937 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.310 -5.507 -7.722 1.00 0.00 H new ATOM 951 N HIS A 63 3.780 -0.427 -6.314 1.00 0.00 N ATOM 952 CA HIS A 63 2.792 0.546 -5.887 1.00 0.00 C ATOM 953 C HIS A 63 1.390 0.061 -6.232 1.00 0.00 C ATOM 954 O HIS A 63 0.973 0.104 -7.389 1.00 0.00 O ATOM 955 CB HIS A 63 3.059 1.894 -6.555 1.00 0.00 C ATOM 956 CG HIS A 63 4.514 2.227 -6.672 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.211 2.962 -5.739 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.408 1.908 -7.642 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.478 3.065 -6.161 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.651 2.442 -7.311 1.00 0.00 N ATOM 0 H HIS A 63 4.065 -0.342 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 63 2.865 0.666 -4.806 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.614 1.891 -7.550 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.560 2.678 -5.985 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.190 1.332 -8.529 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.257 3.590 -5.629 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.516 2.367 -7.847 1.00 0.00 H new ATOM 968 N TYR A 64 0.673 -0.412 -5.222 1.00 0.00 N ATOM 969 CA TYR A 64 -0.678 -0.918 -5.411 1.00 0.00 C ATOM 970 C TYR A 64 -1.720 0.167 -5.187 1.00 0.00 C ATOM 971 O TYR A 64 -1.803 0.748 -4.104 1.00 0.00 O ATOM 972 CB TYR A 64 -0.925 -2.077 -4.453 1.00 0.00 C ATOM 973 CG TYR A 64 0.125 -3.150 -4.549 1.00 0.00 C ATOM 974 CD1 TYR A 64 0.470 -3.696 -5.774 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.774 -3.610 -3.416 1.00 0.00 C ATOM 976 CE1 TYR A 64 1.433 -4.675 -5.869 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.741 -4.589 -3.500 1.00 0.00 C ATOM 978 CZ TYR A 64 2.067 -5.120 -4.728 1.00 0.00 C ATOM 979 OH TYR A 64 3.030 -6.099 -4.817 1.00 0.00 O ATOM 0 H TYR A 64 1.007 -0.456 -4.259 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.771 -1.260 -6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.957 -1.697 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.902 -2.512 -4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.024 -3.348 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.519 -3.196 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.691 -5.092 -6.831 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.240 -4.937 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 64 2.599 -6.975 -4.906 1.00 0.00 H new ATOM 989 N HIS A 65 -2.528 0.422 -6.208 1.00 0.00 N ATOM 990 CA HIS A 65 -3.579 1.421 -6.104 1.00 0.00 C ATOM 991 C HIS A 65 -4.841 0.784 -5.561 1.00 0.00 C ATOM 992 O HIS A 65 -5.570 0.108 -6.285 1.00 0.00 O ATOM 993 CB HIS A 65 -3.852 2.081 -7.451 1.00 0.00 C ATOM 994 CG HIS A 65 -3.372 3.489 -7.472 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.152 4.577 -7.760 1.00 0.00 N ATOM 996 CD2 HIS A 65 -2.157 3.974 -7.155 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.394 5.668 -7.596 1.00 0.00 C ATOM 998 NE2 HIS A 65 -2.174 5.355 -7.238 1.00 0.00 N ATOM 0 H HIS A 65 -2.475 -0.047 -7.112 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.246 2.199 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.359 1.515 -8.242 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.921 2.056 -7.660 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.131 4.559 -8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.301 3.377 -6.878 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.745 6.679 -7.741 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.085 0.988 -4.276 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.256 0.410 -3.644 1.00 0.00 C ATOM 1008 C ILE A 66 -7.494 0.684 -4.477 1.00 0.00 C ATOM 1009 O ILE A 66 -8.026 1.793 -4.477 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.450 0.968 -2.221 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.109 1.433 -1.663 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.050 -0.090 -1.318 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.985 0.467 -1.955 1.00 0.00 C ATOM 0 H ILE A 66 -4.494 1.543 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.102 -0.667 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.134 1.816 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.863 2.407 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.196 1.566 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.181 0.319 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.017 -0.400 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.384 -0.951 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.056 0.851 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.212 -0.501 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.874 0.353 -3.033 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.960 -0.342 -5.176 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.141 -0.211 -6.007 1.00 0.00 C ATOM 1027 C LYS A 67 -10.342 0.110 -5.142 1.00 0.00 C ATOM 1028 O LYS A 67 -10.476 -0.433 -4.043 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.380 -1.488 -6.809 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.068 -1.242 -8.143 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.061 -1.150 -9.279 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.473 0.247 -9.391 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.770 0.451 -10.687 1.00 0.00 N ATOM 0 H LYS A 67 -7.537 -1.270 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.987 0.605 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.424 -1.981 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.987 -2.173 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.773 -2.048 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.646 -0.319 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.260 -1.871 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.545 -1.418 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.269 0.985 -9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.776 0.415 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.383 1.416 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.994 -0.236 -10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.440 0.316 -11.471 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.199 0.999 -5.639 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.389 1.418 -4.912 1.00 0.00 C ATOM 1049 C GLU A 68 -13.647 0.970 -5.647 1.00 0.00 C ATOM 1050 O GLU A 68 -13.738 1.087 -6.869 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.400 2.944 -4.766 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.101 3.527 -4.229 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.333 4.658 -3.246 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -12.459 5.198 -3.217 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.388 5.003 -2.505 1.00 0.00 O ATOM 0 H GLU A 68 -11.087 1.445 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.372 0.957 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.611 3.390 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.216 3.229 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.527 2.739 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.499 3.891 -5.061 1.00 0.00 H new ATOM 1062 N THR A 69 -14.615 0.454 -4.897 1.00 0.00 N ATOM 1063 CA THR A 69 -15.862 -0.012 -5.486 1.00 0.00 C ATOM 1064 C THR A 69 -17.057 0.496 -4.690 1.00 0.00 C ATOM 1065 O THR A 69 -16.943 0.780 -3.498 1.00 0.00 O ATOM 1066 CB THR A 69 -15.884 -1.541 -5.538 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.508 -2.074 -4.384 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.506 -2.157 -5.641 1.00 0.00 C ATOM 0 H THR A 69 -14.559 0.349 -3.884 1.00 0.00 H new ATOM 0 HA THR A 69 -15.927 0.381 -6.501 1.00 0.00 H new ATOM 0 HB THR A 69 -16.443 -1.790 -6.440 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.904 -1.989 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.594 -3.243 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.017 -1.805 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.912 -1.867 -4.774 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.205 0.604 -5.352 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.418 1.070 -4.694 1.00 0.00 C ATOM 1078 C ASN A 70 -19.798 0.131 -3.556 1.00 0.00 C ATOM 1079 O ASN A 70 -20.914 -0.388 -3.509 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.567 1.166 -5.700 1.00 0.00 C ATOM 1081 CG ASN A 70 -21.238 -0.172 -5.940 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -22.432 -0.335 -5.688 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -20.471 -1.139 -6.430 1.00 0.00 N ATOM 0 H ASN A 70 -18.319 0.376 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.228 2.061 -4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.306 1.880 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.187 1.554 -6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -20.867 -2.061 -6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -19.486 -0.960 -6.624 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.853 -0.090 -2.646 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.069 -0.976 -1.510 1.00 0.00 C ATOM 1092 C ASP A 71 -20.409 -1.689 -1.609 1.00 0.00 C ATOM 1093 O ASP A 71 -21.467 -1.067 -1.526 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.992 -0.200 -0.196 1.00 0.00 C ATOM 1095 CG ASP A 71 -20.352 0.277 0.274 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -21.115 -0.549 0.818 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -20.655 1.476 0.099 1.00 0.00 O ATOM 0 H ASP A 71 -17.926 0.336 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.278 -1.726 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.547 -0.833 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.333 0.659 -0.322 1.00 0.00 H new ATOM 1102 N SER A 72 -20.351 -3.004 -1.779 1.00 0.00 N ATOM 1103 CA SER A 72 -21.552 -3.814 -1.881 1.00 0.00 C ATOM 1104 C SER A 72 -21.501 -5.000 -0.919 1.00 0.00 C ATOM 1105 O SER A 72 -22.136 -6.027 -1.159 1.00 0.00 O ATOM 1106 CB SER A 72 -21.737 -4.313 -3.314 1.00 0.00 C ATOM 1107 OG SER A 72 -22.104 -3.254 -4.181 1.00 0.00 O ATOM 0 H SER A 72 -19.480 -3.531 -1.849 1.00 0.00 H new ATOM 0 HA SER A 72 -22.402 -3.188 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 72 -20.812 -4.770 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.504 -5.087 -3.336 1.00 0.00 H new ATOM 0 HG SER A 72 -21.704 -2.418 -3.864 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.741 -4.882 0.186 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.969 -3.688 0.516 1.00 0.00 C ATOM 1115 C PRO A 73 -18.543 -3.743 -0.036 1.00 0.00 C ATOM 1116 O PRO A 73 -18.297 -4.347 -1.080 1.00 0.00 O ATOM 1117 CB PRO A 73 -19.959 -3.727 2.042 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.994 -5.181 2.397 1.00 0.00 C ATOM 1119 CD PRO A 73 -20.579 -5.922 1.214 1.00 0.00 C ATOM 0 HA PRO A 73 -20.392 -2.779 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.067 -3.245 2.443 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.819 -3.200 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.991 -5.546 2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.599 -5.344 3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.917 -6.718 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.533 -6.386 1.466 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.605 -3.122 0.679 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.207 -3.113 0.272 1.00 0.00 C ATOM 1129 C LYS A 74 -15.955 -2.155 -0.888 1.00 0.00 C ATOM 1130 O LYS A 74 -16.534 -2.292 -1.965 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.779 -4.522 -0.107 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.815 -5.499 1.055 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.203 -6.091 1.241 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.588 -6.984 0.072 1.00 0.00 C ATOM 1135 NZ LYS A 74 -18.147 -8.286 0.529 1.00 0.00 N ATOM 0 H LYS A 74 -17.793 -2.618 1.546 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.614 -2.761 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.429 -4.890 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.768 -4.489 -0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.097 -6.300 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.510 -4.990 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.233 -6.667 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.932 -5.287 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.322 -6.472 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.712 -7.164 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.904 -8.585 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.394 -9.003 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.534 -8.180 1.488 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.081 -1.182 -0.648 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.736 -0.184 -1.652 1.00 0.00 C ATOM 1151 C ARG A 75 -13.334 -0.392 -2.207 1.00 0.00 C ATOM 1152 O ARG A 75 -13.137 -0.382 -3.420 1.00 0.00 O ATOM 1153 CB ARG A 75 -14.833 1.214 -1.048 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.254 1.734 -0.980 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.576 2.302 0.391 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.016 1.265 1.318 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.676 1.514 2.444 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.965 2.764 2.783 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -18.045 0.516 3.234 1.00 0.00 N ATOM 0 H ARG A 75 -14.596 -1.064 0.241 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.444 -0.292 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.409 1.200 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.229 1.902 -1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.396 2.505 -1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.949 0.927 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.694 2.800 0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.354 3.059 0.297 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.805 0.294 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.680 3.535 2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.472 2.954 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.822 -0.446 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.552 0.710 4.098 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.356 -0.528 -1.320 1.00 0.00 N ATOM 1174 CA TYR A 76 -10.976 -0.667 -1.742 1.00 0.00 C ATOM 1175 C TYR A 76 -10.477 -2.096 -1.789 1.00 0.00 C ATOM 1176 O TYR A 76 -10.837 -2.946 -0.976 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.095 0.189 -0.851 1.00 0.00 C ATOM 1178 CG TYR A 76 -10.729 1.527 -0.588 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -11.637 2.043 -1.496 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.440 2.267 0.550 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.245 3.257 -1.289 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.045 3.490 0.770 1.00 0.00 C ATOM 1183 CZ TYR A 76 -11.949 3.981 -0.153 1.00 0.00 C ATOM 1184 OH TYR A 76 -12.555 5.198 0.062 1.00 0.00 O ATOM 0 H TYR A 76 -12.496 -0.544 -0.310 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.925 -0.321 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.919 -0.325 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.123 0.330 -1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.873 1.479 -2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.734 1.883 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.950 3.642 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.813 4.059 1.658 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.237 5.577 0.908 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.624 -2.315 -2.776 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.994 -3.607 -3.023 1.00 0.00 C ATOM 1196 C TYR A 77 -7.863 -3.433 -4.036 1.00 0.00 C ATOM 1197 O TYR A 77 -7.942 -2.578 -4.919 1.00 0.00 O ATOM 1198 CB TYR A 77 -10.015 -4.625 -3.531 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.414 -4.407 -4.966 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.335 -3.425 -5.300 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.863 -5.173 -5.986 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.702 -3.209 -6.612 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.224 -4.963 -7.303 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.143 -3.980 -7.611 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.505 -3.768 -8.922 1.00 0.00 O ATOM 0 H TYR A 77 -9.344 -1.592 -3.439 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.586 -3.986 -2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.601 -5.628 -3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.905 -4.580 -2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.772 -2.819 -4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.144 -5.942 -5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.422 -2.442 -6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.789 -5.565 -8.087 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.020 -4.393 -9.500 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.810 -4.233 -3.907 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.670 -4.141 -4.819 1.00 0.00 C ATOM 1217 C VAL A 78 -5.356 -5.494 -5.424 1.00 0.00 C ATOM 1218 O VAL A 78 -4.226 -5.976 -5.344 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.408 -3.625 -4.108 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.585 -2.179 -3.675 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.065 -4.512 -2.922 1.00 0.00 C ATOM 0 H VAL A 78 -6.720 -4.949 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.953 -3.435 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.577 -3.663 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.680 -1.836 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.773 -1.558 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.429 -2.105 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.169 -4.132 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.895 -4.511 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.885 -5.530 -3.269 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.364 -6.106 -6.020 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.200 -7.413 -6.625 1.00 0.00 C ATOM 1233 C ALA A 79 -7.555 -8.040 -6.898 1.00 0.00 C ATOM 1234 O ALA A 79 -7.742 -9.235 -6.675 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.389 -8.313 -5.697 1.00 0.00 C ATOM 0 H ALA A 79 -7.304 -5.718 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.670 -7.300 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.268 -9.294 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.408 -7.869 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.910 -8.419 -4.746 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.520 -7.234 -7.341 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.850 -7.764 -7.573 1.00 0.00 C ATOM 1243 C GLU A 80 -10.092 -8.815 -6.514 1.00 0.00 C ATOM 1244 O GLU A 80 -10.791 -9.807 -6.722 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.963 -8.370 -8.975 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.205 -7.591 -10.038 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.084 -7.196 -11.209 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.322 -7.195 -11.048 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.533 -6.889 -12.287 1.00 0.00 O ATOM 0 H GLU A 80 -8.406 -6.240 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.596 -6.972 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.589 -9.393 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.015 -8.422 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.778 -6.694 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.372 -8.194 -10.401 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.446 -8.581 -5.377 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.494 -9.477 -4.244 1.00 0.00 C ATOM 1258 C LYS A 81 -9.842 -8.715 -2.964 1.00 0.00 C ATOM 1259 O LYS A 81 -9.886 -7.485 -2.962 1.00 0.00 O ATOM 1260 CB LYS A 81 -8.133 -10.160 -4.132 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.495 -10.076 -2.762 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.426 -8.994 -2.713 1.00 0.00 C ATOM 1263 CE LYS A 81 -7.048 -7.612 -2.666 1.00 0.00 C ATOM 1264 NZ LYS A 81 -8.033 -7.488 -1.560 1.00 0.00 N ATOM 0 H LYS A 81 -8.870 -7.753 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.273 -10.226 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.245 -11.210 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.457 -9.714 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.261 -9.867 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.053 -11.039 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.795 -9.142 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.781 -9.076 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.264 -6.865 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.540 -7.402 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.915 -7.076 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.229 -8.429 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.645 -6.872 -0.817 1.00 0.00 H new ATOM 1278 N TYR A 82 -10.105 -9.449 -1.886 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.469 -8.836 -0.610 1.00 0.00 C ATOM 1280 C TYR A 82 -10.734 -7.349 -0.761 1.00 0.00 C ATOM 1281 O TYR A 82 -9.814 -6.535 -0.685 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.379 -9.011 0.447 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.409 -10.126 0.181 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.734 -11.439 0.478 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.154 -9.857 -0.340 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.834 -12.459 0.253 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -6.249 -10.867 -0.563 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.591 -12.167 -0.267 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.686 -13.181 -0.489 1.00 0.00 O ATOM 0 H TYR A 82 -10.073 -10.468 -1.870 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.375 -9.349 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.822 -8.078 0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.855 -9.186 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.705 -11.667 0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.883 -8.838 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.101 -13.480 0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.274 -10.642 -0.969 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.807 -12.797 -0.688 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.991 -6.992 -0.933 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.352 -5.592 -1.045 1.00 0.00 C ATOM 1301 C VAL A 83 -12.746 -5.064 0.325 1.00 0.00 C ATOM 1302 O VAL A 83 -13.311 -5.791 1.139 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.497 -5.365 -2.043 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.536 -3.909 -2.478 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.345 -6.288 -3.243 1.00 0.00 C ATOM 0 H VAL A 83 -12.773 -7.644 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.484 -5.052 -1.422 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.442 -5.599 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.352 -3.762 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.692 -3.273 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.592 -3.646 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.164 -6.115 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.396 -6.086 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.366 -7.325 -2.909 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.424 -3.809 0.588 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.730 -3.211 1.880 1.00 0.00 C ATOM 1317 C PHE A 84 -13.211 -1.777 1.719 1.00 0.00 C ATOM 1318 O PHE A 84 -13.227 -1.237 0.616 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.492 -3.266 2.777 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.729 -4.552 2.637 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.778 -4.693 1.643 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.974 -5.626 3.480 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.083 -5.882 1.490 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.277 -6.815 3.336 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.331 -6.943 2.337 1.00 0.00 C ATOM 0 H PHE A 84 -11.954 -3.187 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.535 -3.779 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.835 -2.431 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.796 -3.140 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.575 -3.867 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.717 -5.534 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.346 -5.979 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.473 -7.641 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.788 -7.869 2.220 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.612 -1.168 2.827 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.104 0.199 2.805 1.00 0.00 C ATOM 1337 C ASP A 85 -13.060 1.170 3.342 1.00 0.00 C ATOM 1338 O ASP A 85 -13.402 2.236 3.855 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.389 0.313 3.626 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.160 0.037 5.100 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.147 -1.150 5.487 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -14.994 1.009 5.867 1.00 0.00 O ATOM 0 H ASP A 85 -13.605 -1.600 3.751 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.314 0.461 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.805 1.313 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.128 -0.388 3.238 1.00 0.00 H new ATOM 1347 N SER A 86 -11.787 0.807 3.221 1.00 0.00 N ATOM 1348 CA SER A 86 -10.716 1.671 3.701 1.00 0.00 C ATOM 1349 C SER A 86 -9.338 1.036 3.532 1.00 0.00 C ATOM 1350 O SER A 86 -9.148 -0.171 3.739 1.00 0.00 O ATOM 1351 CB SER A 86 -10.945 2.024 5.170 1.00 0.00 C ATOM 1352 OG SER A 86 -10.853 3.423 5.379 1.00 0.00 O ATOM 0 H SER A 86 -11.475 -0.068 2.800 1.00 0.00 H new ATOM 0 HA SER A 86 -10.737 2.576 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.927 1.670 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.209 1.511 5.789 1.00 0.00 H new ATOM 0 HG SER A 86 -11.005 3.623 6.326 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.372 1.873 3.167 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.004 1.426 2.982 1.00 0.00 C ATOM 1360 C ILE A 87 -6.503 0.707 4.228 1.00 0.00 C ATOM 1361 O ILE A 87 -5.899 -0.352 4.130 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.059 2.602 2.669 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.294 3.123 1.258 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.610 2.180 2.840 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.156 2.210 0.434 1.00 0.00 C ATOM 0 H ILE A 87 -8.517 2.868 2.994 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.003 0.741 2.134 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.273 3.406 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.762 4.106 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.333 3.255 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.957 3.023 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.444 1.857 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.388 1.357 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.288 2.634 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.678 1.234 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.129 2.098 0.913 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.748 1.266 5.428 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.308 0.648 6.680 1.00 0.00 C ATOM 1379 C PRO A 88 -6.769 -0.798 6.776 1.00 0.00 C ATOM 1380 O PRO A 88 -5.972 -1.695 7.041 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.965 1.499 7.773 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.961 2.365 7.068 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.461 2.524 5.660 1.00 0.00 C ATOM 0 HA PRO A 88 -5.222 0.620 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.451 0.871 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.224 2.102 8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.951 1.908 7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.051 3.333 7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.279 2.662 4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.803 3.387 5.559 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.051 -1.024 6.511 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.590 -2.375 6.516 1.00 0.00 C ATOM 1393 C LEU A 89 -7.970 -3.112 5.345 1.00 0.00 C ATOM 1394 O LEU A 89 -7.357 -4.182 5.495 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.117 -2.353 6.380 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.699 -1.042 5.850 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.950 -1.304 5.028 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -10.999 -0.088 6.997 1.00 0.00 C ATOM 0 H LEU A 89 -8.730 -0.295 6.292 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.354 -2.872 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.419 -3.162 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.557 -2.560 7.356 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.958 -0.575 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.348 -0.358 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.702 -1.946 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.698 -1.795 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.412 0.839 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.720 -0.547 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.079 0.128 7.541 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.096 -2.483 4.179 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.524 -3.002 2.952 1.00 0.00 C ATOM 1412 C LEU A 90 -6.028 -3.248 3.174 1.00 0.00 C ATOM 1413 O LEU A 90 -5.446 -4.199 2.661 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.781 -1.986 1.838 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.274 -2.344 0.442 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -5.791 -2.667 0.459 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -8.073 -3.473 -0.173 1.00 0.00 C ATOM 0 H LEU A 90 -8.597 -1.602 4.064 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.979 -3.949 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.856 -1.817 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.326 -1.040 2.131 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.416 -1.465 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.462 -2.918 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.234 -1.801 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.611 -3.514 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.681 -3.698 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.995 -4.359 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.119 -3.176 -0.254 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.419 -2.392 3.984 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.013 -2.533 4.326 1.00 0.00 C ATOM 1431 C ILE A 91 -3.855 -3.568 5.423 1.00 0.00 C ATOM 1432 O ILE A 91 -3.029 -4.478 5.336 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.390 -1.211 4.809 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.440 -0.171 3.699 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.953 -1.449 5.244 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.020 -0.727 2.363 1.00 0.00 C ATOM 0 H ILE A 91 -5.880 -1.591 4.417 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.495 -2.842 3.418 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.960 -0.838 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.453 0.224 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.791 0.665 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.516 -0.511 5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.934 -2.175 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.377 -1.833 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.075 0.058 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.997 -1.097 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.684 -1.545 2.084 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.667 -3.408 6.462 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.651 -4.305 7.601 1.00 0.00 C ATOM 1450 C GLN A 92 -4.768 -5.750 7.150 1.00 0.00 C ATOM 1451 O GLN A 92 -4.057 -6.621 7.651 1.00 0.00 O ATOM 1452 CB GLN A 92 -5.790 -3.965 8.564 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.499 -2.765 9.451 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.073 -2.271 9.314 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.254 -2.449 10.216 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.768 -1.646 8.183 1.00 0.00 N ATOM 0 H GLN A 92 -5.351 -2.655 6.534 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.700 -4.178 8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.695 -3.770 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -5.993 -4.831 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.185 -1.957 9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.689 -3.032 10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.479 -1.521 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.823 -1.291 8.035 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.667 -6.013 6.203 1.00 0.00 N ATOM 1466 CA TYR A 93 -5.839 -7.375 5.721 1.00 0.00 C ATOM 1467 C TYR A 93 -4.555 -7.890 5.072 1.00 0.00 C ATOM 1468 O TYR A 93 -4.130 -9.009 5.357 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.031 -7.488 4.772 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.756 -7.066 3.352 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.942 -5.752 2.957 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.339 -7.985 2.398 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.717 -5.358 1.654 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.121 -7.602 1.089 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.312 -6.287 0.723 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.116 -5.903 -0.583 1.00 0.00 O ATOM 0 H TYR A 93 -6.272 -5.318 5.766 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.054 -8.008 6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.376 -8.522 4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.847 -6.881 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.269 -5.022 3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.183 -9.015 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.858 -4.327 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.803 -8.329 0.356 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.382 -5.255 -0.627 1.00 0.00 H new ATOM 1486 N HIS A 94 -3.912 -7.082 4.221 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.665 -7.519 3.601 1.00 0.00 C ATOM 1488 C HIS A 94 -1.597 -7.741 4.653 1.00 0.00 C ATOM 1489 O HIS A 94 -0.894 -8.749 4.643 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.144 -6.497 2.615 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.996 -6.319 1.409 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.385 -7.367 0.610 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -3.506 -5.204 0.846 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.096 -6.905 -0.397 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.185 -5.592 -0.278 1.00 0.00 N ATOM 0 H HIS A 94 -4.226 -6.149 3.954 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.884 -8.449 3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.047 -5.537 3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.144 -6.792 2.298 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.159 -8.348 0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.399 -4.194 1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.533 -7.499 -1.187 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.465 -6.776 5.552 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.463 -6.856 6.595 1.00 0.00 C ATOM 1506 C GLN A 95 -0.507 -8.220 7.274 1.00 0.00 C ATOM 1507 O GLN A 95 0.440 -8.623 7.948 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.679 -5.754 7.636 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.622 -4.348 7.064 1.00 0.00 C ATOM 1510 CD GLN A 95 -1.196 -3.310 8.009 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -1.994 -3.630 8.890 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.791 -2.059 7.829 1.00 0.00 N ATOM 0 H GLN A 95 -2.039 -5.933 5.577 1.00 0.00 H new ATOM 0 HA GLN A 95 0.516 -6.720 6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.648 -5.903 8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.078 -5.850 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.413 -4.094 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.171 -4.320 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.128 -1.840 7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.143 -1.317 8.434 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.620 -8.923 7.091 1.00 0.00 N ATOM 1522 CA TYR A 96 -1.804 -10.242 7.682 1.00 0.00 C ATOM 1523 C TYR A 96 -2.223 -11.261 6.627 1.00 0.00 C ATOM 1524 O TYR A 96 -1.511 -12.233 6.371 1.00 0.00 O ATOM 1525 CB TYR A 96 -2.855 -10.179 8.791 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.408 -9.397 10.004 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.188 -8.028 9.928 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.206 -10.028 11.225 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -1.778 -7.309 11.034 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -1.798 -9.315 12.337 1.00 0.00 C ATOM 1531 CZ TYR A 96 -1.585 -7.957 12.237 1.00 0.00 C ATOM 1532 OH TYR A 96 -1.178 -7.244 13.341 1.00 0.00 O ATOM 0 H TYR A 96 -2.411 -8.598 6.535 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.851 -10.559 8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -3.764 -9.728 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.110 -11.194 9.097 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.340 -7.517 8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -2.370 -11.092 11.307 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.609 -6.245 10.958 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.647 -9.820 13.280 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.090 -7.849 14.107 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.383 -11.033 6.019 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.902 -11.930 4.993 1.00 0.00 C ATOM 1544 C ASN A 97 -2.845 -12.212 3.929 1.00 0.00 C ATOM 1545 O ASN A 97 -1.735 -11.686 3.989 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.149 -11.330 4.343 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.374 -11.439 5.229 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.497 -11.566 4.742 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.163 -11.390 6.539 1.00 0.00 N ATOM 0 H ASN A 97 -3.982 -10.233 6.220 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.169 -12.872 5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.965 -10.281 4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.342 -11.837 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.949 -11.459 7.185 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.215 -11.284 6.899 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.201 -13.047 2.957 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.275 -13.387 1.895 1.00 0.00 C ATOM 1558 C GLY A 98 -2.584 -12.664 0.598 1.00 0.00 C ATOM 1559 O GLY A 98 -2.932 -13.292 -0.402 1.00 0.00 O ATOM 0 H GLY A 98 -4.115 -13.494 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.261 -13.142 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.305 -14.463 1.723 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.456 -11.341 0.613 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.727 -10.556 -0.577 1.00 0.00 C ATOM 1565 C GLY A 99 -1.573 -10.581 -1.560 1.00 0.00 C ATOM 1566 O GLY A 99 -0.428 -10.328 -1.187 1.00 0.00 O ATOM 0 H GLY A 99 -2.169 -10.799 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.624 -10.937 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.934 -9.525 -0.290 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.874 -10.883 -2.819 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.840 -10.931 -3.835 1.00 0.00 C ATOM 1572 C GLY A 100 0.293 -9.967 -3.545 1.00 0.00 C ATOM 1573 O GLY A 100 1.436 -10.205 -3.932 1.00 0.00 O ATOM 0 H GLY A 100 -2.814 -11.095 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.444 -11.945 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.276 -10.695 -4.806 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.029 -8.876 -2.858 1.00 0.00 N ATOM 1578 CA LEU A 101 0.964 -7.869 -2.508 1.00 0.00 C ATOM 1579 C LEU A 101 2.307 -8.521 -2.184 1.00 0.00 C ATOM 1580 O LEU A 101 2.356 -9.632 -1.656 1.00 0.00 O ATOM 1581 CB LEU A 101 0.474 -7.042 -1.317 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.536 -5.949 -1.659 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.903 -6.554 -1.964 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.628 -4.951 -0.514 1.00 0.00 C ATOM 0 H LEU A 101 -0.973 -8.667 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 101 1.104 -7.209 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.024 -7.715 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.336 -6.581 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.197 -5.424 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.608 -5.758 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.819 -7.234 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.260 -7.103 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.350 -4.174 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.949 -5.465 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.349 -4.497 -0.347 1.00 0.00 H new ATOM 1596 N VAL A 102 3.393 -7.825 -2.507 1.00 0.00 N ATOM 1597 CA VAL A 102 4.735 -8.341 -2.256 1.00 0.00 C ATOM 1598 C VAL A 102 4.724 -9.406 -1.167 1.00 0.00 C ATOM 1599 O VAL A 102 5.409 -10.423 -1.274 1.00 0.00 O ATOM 1600 CB VAL A 102 5.709 -7.225 -1.835 1.00 0.00 C ATOM 1601 CG1 VAL A 102 6.281 -6.521 -3.057 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.018 -6.237 -0.908 1.00 0.00 C ATOM 0 H VAL A 102 3.370 -6.903 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 102 5.074 -8.777 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 102 6.538 -7.677 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.967 -5.736 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.817 -7.242 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.470 -6.080 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.721 -5.455 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.168 -5.789 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.669 -6.758 -0.016 1.00 0.00 H new ATOM 1612 N THR A 103 3.948 -9.167 -0.114 1.00 0.00 N ATOM 1613 CA THR A 103 3.864 -10.112 0.991 1.00 0.00 C ATOM 1614 C THR A 103 2.725 -9.752 1.936 1.00 0.00 C ATOM 1615 O THR A 103 2.798 -10.006 3.138 1.00 0.00 O ATOM 1616 CB THR A 103 5.188 -10.146 1.757 1.00 0.00 C ATOM 1617 OG1 THR A 103 4.970 -9.964 3.145 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.171 -9.087 1.304 1.00 0.00 C ATOM 0 H THR A 103 3.372 -8.332 -0.004 1.00 0.00 H new ATOM 0 HA THR A 103 3.663 -11.100 0.576 1.00 0.00 H new ATOM 0 HB THR A 103 5.615 -11.127 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.220 -10.525 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.088 -9.168 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.400 -9.231 0.248 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.734 -8.099 1.449 1.00 0.00 H new ATOM 1626 N ARG A 104 1.670 -9.164 1.384 1.00 0.00 N ATOM 1627 CA ARG A 104 0.513 -8.776 2.181 1.00 0.00 C ATOM 1628 C ARG A 104 0.903 -7.756 3.248 1.00 0.00 C ATOM 1629 O ARG A 104 1.171 -8.114 4.395 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.108 -10.011 2.837 1.00 0.00 C ATOM 1631 CG ARG A 104 0.247 -11.313 2.140 1.00 0.00 C ATOM 1632 CD ARG A 104 0.662 -12.381 3.139 1.00 0.00 C ATOM 1633 NE ARG A 104 1.482 -13.420 2.522 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.424 -14.097 3.169 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.663 -13.846 4.449 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.128 -15.027 2.538 1.00 0.00 N ATOM 0 H ARG A 104 1.592 -8.946 0.391 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.220 -8.314 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.219 -10.064 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.192 -9.899 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.609 -11.664 1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.058 -11.140 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.217 -11.918 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.228 -12.834 3.576 1.00 0.00 H new ATOM 0 HE ARG A 104 1.322 -13.638 1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.123 -13.132 4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.387 -14.367 4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.947 -15.224 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.851 -15.546 3.037 1.00 0.00 H new ATOM 1650 N LEU A 105 0.932 -6.485 2.862 1.00 0.00 N ATOM 1651 CA LEU A 105 1.288 -5.411 3.783 1.00 0.00 C ATOM 1652 C LEU A 105 2.081 -5.927 4.976 1.00 0.00 C ATOM 1653 O LEU A 105 1.717 -5.699 6.129 1.00 0.00 O ATOM 1654 CB LEU A 105 0.031 -4.657 4.233 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.437 -3.615 3.227 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.567 -3.547 2.113 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.817 -3.905 2.668 1.00 0.00 C ATOM 0 H LEU A 105 0.713 -6.173 1.916 1.00 0.00 H new ATOM 0 HA LEU A 105 1.936 -4.715 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.772 -5.373 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.231 -4.168 5.186 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.514 -2.659 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.249 -2.805 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.540 -3.265 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.643 -4.522 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.093 -3.126 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.809 -4.871 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.542 -3.927 3.482 1.00 0.00 H new ATOM 1669 N ARG A 106 3.177 -6.615 4.683 1.00 0.00 N ATOM 1670 CA ARG A 106 4.038 -7.169 5.720 1.00 0.00 C ATOM 1671 C ARG A 106 4.534 -6.089 6.681 1.00 0.00 C ATOM 1672 O ARG A 106 4.702 -6.348 7.872 1.00 0.00 O ATOM 1673 CB ARG A 106 5.232 -7.886 5.088 1.00 0.00 C ATOM 1674 CG ARG A 106 6.403 -8.069 6.039 1.00 0.00 C ATOM 1675 CD ARG A 106 6.856 -9.519 6.094 1.00 0.00 C ATOM 1676 NE ARG A 106 7.360 -9.886 7.414 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.652 -9.917 7.725 1.00 0.00 C ATOM 1678 NH1 ARG A 106 9.563 -9.606 6.814 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.033 -10.259 8.948 1.00 0.00 N ATOM 0 H ARG A 106 3.492 -6.803 3.731 1.00 0.00 H new ATOM 0 HA ARG A 106 3.445 -7.882 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.910 -8.863 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.566 -7.321 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.234 -7.439 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.117 -7.738 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.022 -10.169 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.635 -9.684 5.350 1.00 0.00 H new ATOM 0 HE ARG A 106 6.684 -10.132 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.273 -9.342 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.554 -9.630 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.334 -10.499 9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.025 -10.282 9.185 1.00 0.00 H new ATOM 1693 N TYR A 107 4.782 -4.883 6.169 1.00 0.00 N ATOM 1694 CA TYR A 107 5.271 -3.801 7.019 1.00 0.00 C ATOM 1695 C TYR A 107 5.196 -2.436 6.339 1.00 0.00 C ATOM 1696 O TYR A 107 6.046 -2.094 5.517 1.00 0.00 O ATOM 1697 CB TYR A 107 6.712 -4.062 7.434 1.00 0.00 C ATOM 1698 CG TYR A 107 7.254 -2.964 8.307 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.038 -2.980 9.675 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.956 -1.898 7.762 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.506 -1.966 10.480 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.432 -0.880 8.561 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.203 -0.916 9.921 1.00 0.00 C ATOM 1704 OH TYR A 107 8.673 0.099 10.722 1.00 0.00 O ATOM 0 H TYR A 107 4.655 -4.635 5.188 1.00 0.00 H new ATOM 0 HA TYR A 107 4.620 -3.780 7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.770 -5.011 7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.334 -4.158 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.494 -3.801 10.117 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.132 -1.865 6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.328 -1.993 11.545 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.981 -0.059 8.124 1.00 0.00 H new ATOM 0 HH TYR A 107 7.947 0.729 10.912 1.00 0.00 H new ATOM 1714 N PRO A 108 4.189 -1.625 6.699 1.00 0.00 N ATOM 1715 CA PRO A 108 4.012 -0.276 6.148 1.00 0.00 C ATOM 1716 C PRO A 108 5.220 0.628 6.418 1.00 0.00 C ATOM 1717 O PRO A 108 5.867 0.514 7.458 1.00 0.00 O ATOM 1718 CB PRO A 108 2.785 0.255 6.901 1.00 0.00 C ATOM 1719 CG PRO A 108 2.687 -0.593 8.118 1.00 0.00 C ATOM 1720 CD PRO A 108 3.144 -1.949 7.682 1.00 0.00 C ATOM 0 HA PRO A 108 3.899 -0.294 5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.905 1.307 7.161 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.884 0.178 6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.313 -0.205 8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.665 -0.624 8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.536 -2.534 8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.334 -2.528 7.239 1.00 0.00 H new ATOM 1728 N VAL A 109 5.517 1.528 5.479 1.00 0.00 N ATOM 1729 CA VAL A 109 6.634 2.447 5.622 1.00 0.00 C ATOM 1730 C VAL A 109 6.167 3.898 5.542 1.00 0.00 C ATOM 1731 O VAL A 109 5.167 4.203 4.891 1.00 0.00 O ATOM 1732 CB VAL A 109 7.697 2.200 4.543 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.637 0.762 4.053 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.545 3.176 3.388 1.00 0.00 C ATOM 0 H VAL A 109 4.994 1.636 4.610 1.00 0.00 H new ATOM 0 HA VAL A 109 7.073 2.266 6.603 1.00 0.00 H new ATOM 0 HB VAL A 109 8.677 2.368 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.398 0.606 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.818 0.085 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 109 6.652 0.562 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.312 2.976 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.559 3.057 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 109 7.655 4.196 3.757 1.00 0.00 H new ATOM 1744 N CYS A 110 6.891 4.789 6.213 1.00 0.00 N ATOM 1745 CA CYS A 110 6.546 6.204 6.225 1.00 0.00 C ATOM 1746 C CYS A 110 7.775 7.069 5.963 1.00 0.00 C ATOM 1747 O CYS A 110 8.477 7.464 6.895 1.00 0.00 O ATOM 1748 CB CYS A 110 5.917 6.586 7.565 1.00 0.00 C ATOM 1749 SG CYS A 110 4.616 7.836 7.442 1.00 0.00 S ATOM 0 H CYS A 110 7.722 4.554 6.756 1.00 0.00 H new ATOM 0 HA CYS A 110 5.824 6.381 5.428 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.503 5.690 8.028 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.699 6.955 8.229 1.00 0.00 H new ATOM 0 HG CYS A 110 4.145 8.090 8.627 1.00 0.00 H new ATOM 1755 N GLY A 111 8.027 7.362 4.692 1.00 0.00 N ATOM 1756 CA GLY A 111 9.171 8.180 4.333 1.00 0.00 C ATOM 1757 C GLY A 111 10.469 7.397 4.340 1.00 0.00 C ATOM 1758 O GLY A 111 10.467 6.181 4.531 1.00 0.00 O ATOM 0 H GLY A 111 7.460 7.048 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.013 8.606 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.250 9.015 5.030 1.00 0.00 H new HETATM 1762 N NH2 A 112 11.585 8.087 4.131 1.00 0.00 N TER 1765 NH2 A 112