USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN :FLIP amide:sc= -3.93! C(o=-19!,f=-18!) USER MOD Set 1.2: A 95 GLN : amide:sc= -14.6! C(o=-18!,f=-21!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -111:sc= -5.85! (180deg=-12.5!) USER MOD Set 2.2: A 93 TYR OH : rot -158:sc= -10.4! USER MOD Set 2.3: A 94 HIS :FLIP no HE2:sc= -49.4! C(o=-74!,f=-66!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -98:sc= -5.95! (180deg=-5.16!) USER MOD Set 3.2: A 64 TYR OH : rot -140:sc= -2.2! USER MOD Set 4.1: A 48 SER OG : rot -104:sc= -4.5! USER MOD Set 4.2: A 63 HIS : no HE2:sc= -6.05! C(o=-11!,f=-16!) USER MOD Set 5.1: A 44 THR OG1 : rot -71:sc= -8.18! USER MOD Set 5.2: A 46 THR OG1 : rot -76:sc= -2.06! USER MOD Set 5.3: A 65 HIS : no HD1:sc= -23.3! C(o=-34!,f=-42!) USER MOD Set 6.1: A 13 ASN : amide:sc= -28.4! C(o=-57!,f=-62!) USER MOD Set 6.2: A 35 MET CE :methyl 160:sc= -28.2! (180deg=-20.7!) USER MOD Single : A 8 THR OG1 : rot 29:sc= 0.924! USER MOD Single : A 9 TYR OH : rot 165:sc= -0.418 USER MOD Single : A 12 TYR OH : rot 168:sc= -3.03! USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.595) USER MOD Single : A 15 SER OG : rot -35:sc= 0.154 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.455 (180deg=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.247 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -11.3! (180deg=-12.9!) USER MOD Single : A 39 SER OG : rot 170:sc=-0.00206 USER MOD Single : A 41 THR OG1 : rot -170:sc= -8.1! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -101:sc= -5.37! USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 82 TYR OH : rot -101:sc= 0.0977 USER MOD Single : A 86 SER OG : rot 70:sc= 0.15 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 103 THR OG1 : rot -48:sc= -0.465 USER MOD Single : A 107 TYR OH : rot -51:sc= 0.514 USER MOD Single : A 110 CYS SG : rot -34:sc= 0.502 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.632 7.743 5.930 1.00 0.00 N ATOM 36 CA LEU A 6 -5.508 6.891 6.311 1.00 0.00 C ATOM 37 C LEU A 6 -4.175 7.592 6.102 1.00 0.00 C ATOM 38 O LEU A 6 -3.129 6.944 6.062 1.00 0.00 O ATOM 39 CB LEU A 6 -5.518 5.596 5.506 1.00 0.00 C ATOM 40 CG LEU A 6 -6.230 5.665 4.167 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.430 4.925 3.110 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.613 5.071 4.311 1.00 0.00 C ATOM 0 HA LEU A 6 -5.623 6.668 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.487 5.287 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.987 4.818 6.108 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.321 6.704 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.951 4.981 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.445 5.381 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.320 3.881 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.130 5.117 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.531 4.032 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.176 5.635 5.055 1.00 0.00 H new ATOM 54 N GLU A 7 -4.206 8.908 5.966 1.00 0.00 N ATOM 55 CA GLU A 7 -2.982 9.666 5.757 1.00 0.00 C ATOM 56 C GLU A 7 -2.167 9.749 7.042 1.00 0.00 C ATOM 57 O GLU A 7 -1.410 10.698 7.250 1.00 0.00 O ATOM 58 CB GLU A 7 -3.304 11.071 5.245 1.00 0.00 C ATOM 59 CG GLU A 7 -4.301 11.821 6.113 1.00 0.00 C ATOM 60 CD GLU A 7 -5.147 12.797 5.318 1.00 0.00 C ATOM 61 OE1 GLU A 7 -5.402 12.528 4.126 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.555 13.831 5.888 1.00 0.00 O ATOM 0 H GLU A 7 -5.057 9.470 5.996 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.387 9.146 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.381 11.647 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.700 10.998 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.953 11.105 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.764 12.362 6.892 1.00 0.00 H new ATOM 69 N THR A 8 -2.325 8.748 7.901 1.00 0.00 N ATOM 70 CA THR A 8 -1.605 8.703 9.162 1.00 0.00 C ATOM 71 C THR A 8 -1.083 7.297 9.446 1.00 0.00 C ATOM 72 O THR A 8 -0.428 7.066 10.464 1.00 0.00 O ATOM 73 CB THR A 8 -2.509 9.164 10.306 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.183 8.488 11.507 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.980 8.936 10.035 1.00 0.00 C ATOM 0 H THR A 8 -2.948 7.956 7.743 1.00 0.00 H new ATOM 0 HA THR A 8 -0.752 9.377 9.086 1.00 0.00 H new ATOM 0 HB THR A 8 -2.335 10.236 10.397 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.232 8.253 11.502 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.565 9.285 10.886 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.275 9.486 9.142 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.161 7.872 9.882 1.00 0.00 H new ATOM 83 N TYR A 9 -1.372 6.357 8.548 1.00 0.00 N ATOM 84 CA TYR A 9 -0.922 4.981 8.724 1.00 0.00 C ATOM 85 C TYR A 9 0.561 4.848 8.430 1.00 0.00 C ATOM 86 O TYR A 9 1.064 5.402 7.452 1.00 0.00 O ATOM 87 CB TYR A 9 -1.714 4.035 7.822 1.00 0.00 C ATOM 88 CG TYR A 9 -3.147 3.881 8.269 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.472 3.037 9.321 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.171 4.591 7.652 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.777 2.904 9.752 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.482 4.459 8.077 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.778 3.616 9.127 1.00 0.00 C ATOM 94 OH TYR A 9 -7.079 3.486 9.554 1.00 0.00 O ATOM 0 H TYR A 9 -1.911 6.523 7.698 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.095 4.708 9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.694 4.410 6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.232 3.057 7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.691 2.475 9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.941 5.254 6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.012 2.245 10.575 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.269 5.014 7.588 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.619 4.216 9.185 1.00 0.00 H new ATOM 104 N GLU A 10 1.255 4.097 9.273 1.00 0.00 N ATOM 105 CA GLU A 10 2.678 3.880 9.086 1.00 0.00 C ATOM 106 C GLU A 10 2.968 3.643 7.616 1.00 0.00 C ATOM 107 O GLU A 10 4.110 3.744 7.171 1.00 0.00 O ATOM 108 CB GLU A 10 3.141 2.671 9.900 1.00 0.00 C ATOM 109 CG GLU A 10 4.283 1.905 9.253 1.00 0.00 C ATOM 110 CD GLU A 10 4.969 0.957 10.217 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.331 -0.033 10.631 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.145 1.205 10.558 1.00 0.00 O ATOM 0 H GLU A 10 0.857 3.631 10.088 1.00 0.00 H new ATOM 0 HA GLU A 10 3.217 4.764 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.454 3.007 10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.297 1.996 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.901 1.339 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.015 2.612 8.862 1.00 0.00 H new ATOM 119 N TRP A 11 1.924 3.300 6.871 1.00 0.00 N ATOM 120 CA TRP A 11 2.056 3.017 5.455 1.00 0.00 C ATOM 121 C TRP A 11 1.626 4.185 4.575 1.00 0.00 C ATOM 122 O TRP A 11 2.251 4.464 3.553 1.00 0.00 O ATOM 123 CB TRP A 11 1.216 1.798 5.100 1.00 0.00 C ATOM 124 CG TRP A 11 -0.090 1.703 5.850 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.354 0.992 6.991 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.328 2.315 5.475 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.683 1.124 7.334 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.300 1.933 6.417 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.704 3.147 4.430 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.628 2.358 6.332 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.015 3.570 4.346 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.965 3.172 5.290 1.00 0.00 C ATOM 0 H TRP A 11 0.974 3.212 7.230 1.00 0.00 H new ATOM 0 HA TRP A 11 3.114 2.833 5.265 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.007 1.815 4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.800 0.899 5.296 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.373 0.413 7.541 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.133 0.690 8.140 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.980 3.459 3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.361 2.053 7.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.312 4.220 3.536 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.985 3.515 5.193 1.00 0.00 H new ATOM 143 N TYR A 12 0.531 4.832 4.936 1.00 0.00 N ATOM 144 CA TYR A 12 0.007 5.929 4.133 1.00 0.00 C ATOM 145 C TYR A 12 0.928 7.144 4.123 1.00 0.00 C ATOM 146 O TYR A 12 1.369 7.624 5.167 1.00 0.00 O ATOM 147 CB TYR A 12 -1.371 6.336 4.626 1.00 0.00 C ATOM 148 CG TYR A 12 -2.178 7.086 3.607 1.00 0.00 C ATOM 149 CD1 TYR A 12 -1.595 8.030 2.783 1.00 0.00 C ATOM 150 CD2 TYR A 12 -3.525 6.852 3.483 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.343 8.727 1.855 1.00 0.00 C ATOM 152 CE2 TYR A 12 -4.288 7.538 2.564 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.694 8.477 1.750 1.00 0.00 C ATOM 154 OH TYR A 12 -4.451 9.165 0.832 1.00 0.00 O ATOM 0 H TYR A 12 -0.011 4.620 5.774 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.060 5.562 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.919 5.442 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.261 6.955 5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.536 8.226 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.995 6.116 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.874 9.461 1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.347 7.341 2.482 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.334 8.746 0.756 1.00 0.00 H new ATOM 164 N ASN A 13 1.185 7.638 2.919 1.00 0.00 N ATOM 165 CA ASN A 13 2.021 8.805 2.708 1.00 0.00 C ATOM 166 C ASN A 13 1.360 9.729 1.690 1.00 0.00 C ATOM 167 O ASN A 13 1.479 9.520 0.483 1.00 0.00 O ATOM 168 CB ASN A 13 3.397 8.370 2.210 1.00 0.00 C ATOM 169 CG ASN A 13 4.082 7.445 3.191 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.996 7.847 3.912 1.00 0.00 O ATOM 171 ND2 ASN A 13 3.641 6.194 3.218 1.00 0.00 N ATOM 0 H ASN A 13 0.815 7.235 2.058 1.00 0.00 H new ATOM 0 HA ASN A 13 2.141 9.342 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.294 7.868 1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.019 9.250 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.062 5.518 3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.881 5.908 2.601 1.00 0.00 H new ATOM 178 N LYS A 14 0.647 10.737 2.178 1.00 0.00 N ATOM 179 CA LYS A 14 -0.045 11.673 1.298 1.00 0.00 C ATOM 180 C LYS A 14 0.943 12.568 0.562 1.00 0.00 C ATOM 181 O LYS A 14 2.065 12.783 1.020 1.00 0.00 O ATOM 182 CB LYS A 14 -1.037 12.522 2.090 1.00 0.00 C ATOM 183 CG LYS A 14 -0.378 13.559 2.986 1.00 0.00 C ATOM 184 CD LYS A 14 0.749 12.955 3.807 1.00 0.00 C ATOM 185 CE LYS A 14 0.214 12.059 4.913 1.00 0.00 C ATOM 186 NZ LYS A 14 1.303 11.311 5.598 1.00 0.00 N ATOM 0 H LYS A 14 0.533 10.927 3.174 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.594 11.091 0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.705 13.029 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.655 11.866 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.012 14.373 2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.124 13.991 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.406 12.378 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.351 13.752 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.324 12.665 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.503 11.353 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.927 10.417 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.065 11.108 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.680 11.884 6.380 1.00 0.00 H new ATOM 200 N SER A 15 0.518 13.081 -0.589 1.00 0.00 N ATOM 201 CA SER A 15 1.365 13.946 -1.401 1.00 0.00 C ATOM 202 C SER A 15 2.513 13.149 -2.013 1.00 0.00 C ATOM 203 O SER A 15 3.223 13.635 -2.894 1.00 0.00 O ATOM 204 CB SER A 15 1.918 15.095 -0.556 1.00 0.00 C ATOM 205 OG SER A 15 2.619 16.027 -1.360 1.00 0.00 O ATOM 0 H SER A 15 -0.409 12.912 -0.980 1.00 0.00 H new ATOM 0 HA SER A 15 0.759 14.361 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.100 15.598 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.583 14.699 0.211 1.00 0.00 H new ATOM 0 HG SER A 15 3.080 15.553 -2.084 1.00 0.00 H new ATOM 211 N ILE A 16 2.689 11.923 -1.531 1.00 0.00 N ATOM 212 CA ILE A 16 3.746 11.048 -2.012 1.00 0.00 C ATOM 213 C ILE A 16 3.528 10.630 -3.459 1.00 0.00 C ATOM 214 O ILE A 16 2.401 10.601 -3.952 1.00 0.00 O ATOM 215 CB ILE A 16 3.834 9.773 -1.157 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.100 9.781 -0.310 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.790 8.534 -2.043 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.697 8.404 -0.124 1.00 0.00 C ATOM 0 H ILE A 16 2.106 11.513 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 16 4.671 11.619 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 16 2.975 9.748 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.839 10.431 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.874 10.208 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.853 7.640 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.855 8.521 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.630 8.553 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.596 8.477 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.973 7.757 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.953 7.984 -1.097 1.00 0.00 H new ATOM 230 N SER A 17 4.622 10.275 -4.116 1.00 0.00 N ATOM 231 CA SER A 17 4.581 9.817 -5.494 1.00 0.00 C ATOM 232 C SER A 17 5.259 8.458 -5.595 1.00 0.00 C ATOM 233 O SER A 17 5.434 7.770 -4.589 1.00 0.00 O ATOM 234 CB SER A 17 5.267 10.822 -6.415 1.00 0.00 C ATOM 235 OG SER A 17 4.583 10.930 -7.653 1.00 0.00 O ATOM 0 H SER A 17 5.558 10.296 -3.711 1.00 0.00 H new ATOM 0 HA SER A 17 3.541 9.726 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.304 11.798 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.298 10.514 -6.591 1.00 0.00 H new ATOM 0 HG SER A 17 5.041 11.581 -8.224 1.00 0.00 H new ATOM 241 N ARG A 18 5.648 8.073 -6.800 1.00 0.00 N ATOM 242 CA ARG A 18 6.314 6.796 -7.000 1.00 0.00 C ATOM 243 C ARG A 18 7.754 6.850 -6.496 1.00 0.00 C ATOM 244 O ARG A 18 8.246 5.903 -5.883 1.00 0.00 O ATOM 245 CB ARG A 18 6.288 6.405 -8.478 1.00 0.00 C ATOM 246 CG ARG A 18 6.854 7.473 -9.399 1.00 0.00 C ATOM 247 CD ARG A 18 6.874 7.009 -10.846 1.00 0.00 C ATOM 248 NE ARG A 18 7.929 6.029 -11.092 1.00 0.00 N ATOM 249 CZ ARG A 18 9.111 6.337 -11.614 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.387 7.592 -11.941 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.019 5.391 -11.808 1.00 0.00 N ATOM 0 H ARG A 18 5.515 8.622 -7.649 1.00 0.00 H new ATOM 0 HA ARG A 18 5.776 6.041 -6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.855 5.484 -8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.260 6.192 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.256 8.381 -9.315 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.866 7.727 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.908 6.573 -11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.018 7.869 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 18 7.748 5.055 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.691 8.323 -11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.295 7.827 -12.342 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.811 4.425 -11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.926 5.629 -12.209 1.00 0.00 H new ATOM 265 N ASP A 19 8.427 7.965 -6.768 1.00 0.00 N ATOM 266 CA ASP A 19 9.815 8.148 -6.354 1.00 0.00 C ATOM 267 C ASP A 19 9.929 8.389 -4.850 1.00 0.00 C ATOM 268 O ASP A 19 10.807 7.832 -4.190 1.00 0.00 O ATOM 269 CB ASP A 19 10.442 9.317 -7.114 1.00 0.00 C ATOM 270 CG ASP A 19 10.538 9.053 -8.604 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.484 8.839 -9.239 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.668 9.061 -9.138 1.00 0.00 O ATOM 0 H ASP A 19 8.032 8.757 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 19 10.352 7.229 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.850 10.216 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.438 9.512 -6.717 1.00 0.00 H new ATOM 277 N LYS A 20 9.051 9.232 -4.313 1.00 0.00 N ATOM 278 CA LYS A 20 9.075 9.551 -2.887 1.00 0.00 C ATOM 279 C LYS A 20 8.956 8.293 -2.035 1.00 0.00 C ATOM 280 O LYS A 20 9.730 8.093 -1.094 1.00 0.00 O ATOM 281 CB LYS A 20 7.946 10.521 -2.536 1.00 0.00 C ATOM 282 CG LYS A 20 7.902 11.748 -3.426 1.00 0.00 C ATOM 283 CD LYS A 20 7.015 11.519 -4.635 1.00 0.00 C ATOM 284 CE LYS A 20 7.659 12.045 -5.907 1.00 0.00 C ATOM 285 NZ LYS A 20 8.488 13.256 -5.651 1.00 0.00 N ATOM 0 H LYS A 20 8.317 9.705 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 20 10.034 10.022 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.993 9.997 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.060 10.838 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.531 12.600 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.911 11.998 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.813 10.453 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.055 12.012 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.281 11.266 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.883 12.283 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.600 13.793 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.020 13.853 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.424 12.968 -5.300 1.00 0.00 H new ATOM 299 N ALA A 21 7.987 7.445 -2.357 1.00 0.00 N ATOM 300 CA ALA A 21 7.800 6.221 -1.596 1.00 0.00 C ATOM 301 C ALA A 21 8.967 5.259 -1.830 1.00 0.00 C ATOM 302 O ALA A 21 9.501 4.664 -0.890 1.00 0.00 O ATOM 303 CB ALA A 21 6.469 5.567 -1.922 1.00 0.00 C ATOM 0 H ALA A 21 7.330 7.580 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 21 7.783 6.479 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.359 4.654 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.657 6.253 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.434 5.324 -2.984 1.00 0.00 H new ATOM 309 N GLU A 22 9.394 5.130 -3.078 1.00 0.00 N ATOM 310 CA GLU A 22 10.523 4.265 -3.380 1.00 0.00 C ATOM 311 C GLU A 22 11.726 4.729 -2.568 1.00 0.00 C ATOM 312 O GLU A 22 12.389 3.935 -1.890 1.00 0.00 O ATOM 313 CB GLU A 22 10.845 4.298 -4.877 1.00 0.00 C ATOM 314 CG GLU A 22 9.949 3.397 -5.711 1.00 0.00 C ATOM 315 CD GLU A 22 10.735 2.477 -6.624 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.261 1.458 -6.129 1.00 0.00 O ATOM 317 OE2 GLU A 22 10.825 2.774 -7.834 1.00 0.00 O ATOM 0 H GLU A 22 8.985 5.604 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 22 10.274 3.237 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.753 5.322 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.883 4.000 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.324 2.798 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.279 4.012 -6.311 1.00 0.00 H new ATOM 324 N LYS A 23 11.978 6.035 -2.621 1.00 0.00 N ATOM 325 CA LYS A 23 13.074 6.639 -1.879 1.00 0.00 C ATOM 326 C LYS A 23 12.827 6.514 -0.381 1.00 0.00 C ATOM 327 O LYS A 23 13.680 6.020 0.355 1.00 0.00 O ATOM 328 CB LYS A 23 13.224 8.110 -2.261 1.00 0.00 C ATOM 329 CG LYS A 23 11.945 8.906 -2.079 1.00 0.00 C ATOM 330 CD LYS A 23 12.030 9.832 -0.877 1.00 0.00 C ATOM 331 CE LYS A 23 10.767 10.663 -0.723 1.00 0.00 C ATOM 332 NZ LYS A 23 10.812 11.521 0.494 1.00 0.00 N ATOM 0 H LYS A 23 11.433 6.696 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 23 13.995 6.114 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.013 8.558 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.542 8.178 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.749 9.492 -2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.105 8.223 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.192 9.244 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.890 10.492 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.635 11.290 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.902 10.002 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.933 12.072 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.912 10.922 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.623 12.169 0.432 1.00 0.00 H new ATOM 346 N LEU A 24 11.647 6.948 0.070 1.00 0.00 N ATOM 347 CA LEU A 24 11.313 6.852 1.484 1.00 0.00 C ATOM 348 C LEU A 24 11.406 5.398 1.925 1.00 0.00 C ATOM 349 O LEU A 24 11.823 5.103 3.045 1.00 0.00 O ATOM 350 CB LEU A 24 9.917 7.425 1.764 1.00 0.00 C ATOM 351 CG LEU A 24 8.826 6.392 2.052 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.607 5.519 0.833 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.188 5.546 3.263 1.00 0.00 C ATOM 0 H LEU A 24 10.922 7.362 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 24 12.025 7.445 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.986 8.102 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.610 8.022 0.906 1.00 0.00 H new ATOM 0 HG LEU A 24 7.898 6.918 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.829 4.786 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.300 6.140 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.534 5.002 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.397 4.819 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.125 5.023 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.301 6.189 4.136 1.00 0.00 H new ATOM 365 N LEU A 25 11.042 4.489 1.021 1.00 0.00 N ATOM 366 CA LEU A 25 11.116 3.062 1.309 1.00 0.00 C ATOM 367 C LEU A 25 12.570 2.610 1.330 1.00 0.00 C ATOM 368 O LEU A 25 13.032 2.012 2.301 1.00 0.00 O ATOM 369 CB LEU A 25 10.347 2.256 0.265 1.00 0.00 C ATOM 370 CG LEU A 25 8.856 2.083 0.555 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.156 1.423 -0.619 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.659 1.272 1.824 1.00 0.00 C ATOM 0 H LEU A 25 10.695 4.716 0.089 1.00 0.00 H new ATOM 0 HA LEU A 25 10.665 2.888 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.460 2.743 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.803 1.269 0.181 1.00 0.00 H new ATOM 0 HG LEU A 25 8.413 3.068 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.096 1.309 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.273 2.043 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.596 0.442 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.593 1.156 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.115 0.289 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.128 1.788 2.662 1.00 0.00 H new ATOM 384 N LEU A 26 13.288 2.907 0.249 1.00 0.00 N ATOM 385 CA LEU A 26 14.693 2.536 0.146 1.00 0.00 C ATOM 386 C LEU A 26 15.466 3.012 1.371 1.00 0.00 C ATOM 387 O LEU A 26 16.551 2.511 1.668 1.00 0.00 O ATOM 388 CB LEU A 26 15.308 3.131 -1.123 1.00 0.00 C ATOM 389 CG LEU A 26 15.504 2.142 -2.273 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.815 1.388 -2.110 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.333 1.172 -2.346 1.00 0.00 C ATOM 0 H LEU A 26 12.920 3.401 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 26 14.756 1.449 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.672 3.946 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.275 3.567 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 26 15.545 2.702 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.938 0.689 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.644 2.096 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.804 0.838 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.488 0.475 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.261 0.618 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.410 1.728 -2.510 1.00 0.00 H new ATOM 403 N ASP A 27 14.899 3.984 2.078 1.00 0.00 N ATOM 404 CA ASP A 27 15.531 4.534 3.272 1.00 0.00 C ATOM 405 C ASP A 27 15.352 3.602 4.466 1.00 0.00 C ATOM 406 O ASP A 27 16.252 3.462 5.294 1.00 0.00 O ATOM 407 CB ASP A 27 14.946 5.911 3.594 1.00 0.00 C ATOM 408 CG ASP A 27 14.743 6.118 5.083 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.707 5.904 5.849 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.622 6.494 5.483 1.00 0.00 O ATOM 0 H ASP A 27 14.001 4.408 1.844 1.00 0.00 H new ATOM 0 HA ASP A 27 16.598 4.635 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.611 6.684 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.992 6.027 3.080 1.00 0.00 H new ATOM 415 N THR A 28 14.186 2.969 4.553 1.00 0.00 N ATOM 416 CA THR A 28 13.897 2.054 5.653 1.00 0.00 C ATOM 417 C THR A 28 14.476 0.670 5.377 1.00 0.00 C ATOM 418 O THR A 28 15.172 0.101 6.219 1.00 0.00 O ATOM 419 CB THR A 28 12.387 1.962 5.893 1.00 0.00 C ATOM 420 OG1 THR A 28 12.109 1.842 7.276 1.00 0.00 O ATOM 421 CG2 THR A 28 11.730 0.791 5.193 1.00 0.00 C ATOM 0 H THR A 28 13.428 3.072 3.878 1.00 0.00 H new ATOM 0 HA THR A 28 14.369 2.448 6.553 1.00 0.00 H new ATOM 0 HB THR A 28 11.976 2.883 5.480 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.146 1.946 7.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.662 0.791 5.409 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.883 0.878 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.172 -0.140 5.548 1.00 0.00 H new ATOM 429 N GLY A 29 14.189 0.132 4.197 1.00 0.00 N ATOM 430 CA GLY A 29 14.696 -1.182 3.841 1.00 0.00 C ATOM 431 C GLY A 29 14.002 -2.290 4.604 1.00 0.00 C ATOM 432 O GLY A 29 14.548 -2.832 5.565 1.00 0.00 O ATOM 0 H GLY A 29 13.616 0.580 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.564 -1.343 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.767 -1.222 4.040 1.00 0.00 H new ATOM 436 N LYS A 30 12.788 -2.618 4.180 1.00 0.00 N ATOM 437 CA LYS A 30 12.001 -3.658 4.829 1.00 0.00 C ATOM 438 C LYS A 30 11.506 -4.681 3.823 1.00 0.00 C ATOM 439 O LYS A 30 11.253 -4.351 2.666 1.00 0.00 O ATOM 440 CB LYS A 30 10.788 -3.037 5.513 1.00 0.00 C ATOM 441 CG LYS A 30 11.121 -2.254 6.765 1.00 0.00 C ATOM 442 CD LYS A 30 10.229 -1.034 6.921 1.00 0.00 C ATOM 443 CE LYS A 30 9.150 -0.977 5.845 1.00 0.00 C ATOM 444 NZ LYS A 30 7.915 -0.301 6.331 1.00 0.00 N ATOM 0 H LYS A 30 12.326 -2.176 3.386 1.00 0.00 H new ATOM 0 HA LYS A 30 12.643 -4.152 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.284 -2.377 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.083 -3.828 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.011 -2.899 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.164 -1.940 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.760 -1.051 7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.837 -0.131 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.534 -0.447 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.906 -1.989 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.115 -0.556 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.714 -0.604 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.052 0.730 6.310 1.00 0.00 H new ATOM 458 N GLU A 31 11.322 -5.915 4.274 1.00 0.00 N ATOM 459 CA GLU A 31 10.802 -6.945 3.398 1.00 0.00 C ATOM 460 C GLU A 31 9.284 -6.863 3.409 1.00 0.00 C ATOM 461 O GLU A 31 8.641 -7.196 4.404 1.00 0.00 O ATOM 462 CB GLU A 31 11.264 -8.330 3.855 1.00 0.00 C ATOM 463 CG GLU A 31 10.239 -9.425 3.606 1.00 0.00 C ATOM 464 CD GLU A 31 10.469 -10.647 4.474 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.184 -10.526 5.492 1.00 0.00 O ATOM 466 OE2 GLU A 31 9.934 -11.723 4.137 1.00 0.00 O ATOM 0 H GLU A 31 11.523 -6.220 5.227 1.00 0.00 H new ATOM 0 HA GLU A 31 11.177 -6.789 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.189 -8.585 3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.494 -8.294 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.240 -9.032 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.273 -9.718 2.557 1.00 0.00 H new ATOM 473 N GLY A 32 8.719 -6.386 2.310 1.00 0.00 N ATOM 474 CA GLY A 32 7.286 -6.232 2.228 1.00 0.00 C ATOM 475 C GLY A 32 6.857 -4.866 2.716 1.00 0.00 C ATOM 476 O GLY A 32 5.697 -4.656 3.068 1.00 0.00 O ATOM 0 H GLY A 32 9.230 -6.103 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.960 -6.372 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.799 -7.004 2.824 1.00 0.00 H new ATOM 480 N ALA A 33 7.805 -3.927 2.731 1.00 0.00 N ATOM 481 CA ALA A 33 7.523 -2.569 3.173 1.00 0.00 C ATOM 482 C ALA A 33 6.239 -2.071 2.521 1.00 0.00 C ATOM 483 O ALA A 33 6.048 -2.239 1.316 1.00 0.00 O ATOM 484 CB ALA A 33 8.688 -1.655 2.834 1.00 0.00 C ATOM 0 H ALA A 33 8.770 -4.086 2.442 1.00 0.00 H new ATOM 0 HA ALA A 33 7.389 -2.564 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.465 -0.642 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.588 -2.013 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.847 -1.653 1.756 1.00 0.00 H new ATOM 490 N PHE A 34 5.345 -1.486 3.311 1.00 0.00 N ATOM 491 CA PHE A 34 4.073 -1.010 2.775 1.00 0.00 C ATOM 492 C PHE A 34 3.809 0.459 3.077 1.00 0.00 C ATOM 493 O PHE A 34 3.868 0.884 4.223 1.00 0.00 O ATOM 494 CB PHE A 34 2.934 -1.841 3.352 1.00 0.00 C ATOM 495 CG PHE A 34 1.603 -1.175 3.195 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.054 -1.030 1.945 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.913 -0.682 4.284 1.00 0.00 C ATOM 498 CE1 PHE A 34 -0.161 -0.404 1.778 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.291 -0.055 4.123 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.833 0.089 2.872 1.00 0.00 C ATOM 0 H PHE A 34 5.473 -1.331 4.311 1.00 0.00 H new ATOM 0 HA PHE A 34 4.130 -1.117 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.911 -2.813 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.122 -2.025 4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.581 -1.411 1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.329 -0.793 5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.585 -0.300 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.817 0.328 4.985 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.783 0.587 2.746 1.00 0.00 H new ATOM 510 N MET A 35 3.482 1.234 2.046 1.00 0.00 N ATOM 511 CA MET A 35 3.176 2.648 2.244 1.00 0.00 C ATOM 512 C MET A 35 2.092 3.123 1.274 1.00 0.00 C ATOM 513 O MET A 35 2.198 2.922 0.071 1.00 0.00 O ATOM 514 CB MET A 35 4.444 3.491 2.106 1.00 0.00 C ATOM 515 CG MET A 35 4.568 4.216 0.780 1.00 0.00 C ATOM 516 SD MET A 35 4.902 5.972 0.986 1.00 0.00 S ATOM 517 CE MET A 35 6.028 5.911 2.373 1.00 0.00 C ATOM 0 H MET A 35 3.423 0.914 1.079 1.00 0.00 H new ATOM 0 HA MET A 35 2.787 2.773 3.255 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.468 4.225 2.912 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.312 2.845 2.237 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.368 3.763 0.195 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.647 4.089 0.212 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.604 6.835 2.415 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.461 5.795 3.297 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.706 5.066 2.254 1.00 0.00 H new ATOM 527 N VAL A 36 1.044 3.750 1.808 1.00 0.00 N ATOM 528 CA VAL A 36 -0.060 4.247 0.985 1.00 0.00 C ATOM 529 C VAL A 36 0.103 5.716 0.642 1.00 0.00 C ATOM 530 O VAL A 36 0.728 6.471 1.376 1.00 0.00 O ATOM 531 CB VAL A 36 -1.441 4.067 1.633 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.517 4.563 0.686 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.683 2.617 1.992 1.00 0.00 C ATOM 0 H VAL A 36 0.936 3.926 2.807 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.015 3.638 0.082 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.475 4.651 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.496 4.434 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.354 5.619 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.476 3.993 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.667 2.515 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.637 2.006 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.920 2.284 2.695 1.00 0.00 H new ATOM 543 N ARG A 37 -0.466 6.105 -0.485 1.00 0.00 N ATOM 544 CA ARG A 37 -0.401 7.480 -0.946 1.00 0.00 C ATOM 545 C ARG A 37 -1.660 7.842 -1.730 1.00 0.00 C ATOM 546 O ARG A 37 -2.057 7.131 -2.653 1.00 0.00 O ATOM 547 CB ARG A 37 0.850 7.679 -1.797 1.00 0.00 C ATOM 548 CG ARG A 37 0.574 7.786 -3.278 1.00 0.00 C ATOM 549 CD ARG A 37 1.638 7.049 -4.063 1.00 0.00 C ATOM 550 NE ARG A 37 1.598 5.608 -3.843 1.00 0.00 N ATOM 551 CZ ARG A 37 2.549 4.780 -4.260 1.00 0.00 C ATOM 552 NH1 ARG A 37 3.605 5.250 -4.910 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.444 3.480 -4.028 1.00 0.00 N ATOM 0 H ARG A 37 -0.983 5.480 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.344 8.144 -0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.362 8.583 -1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.531 6.846 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.408 7.370 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.552 8.834 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.509 7.255 -5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.620 7.429 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 37 0.799 5.216 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.689 6.250 -5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.334 4.611 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.633 3.115 -3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.174 2.844 -4.348 1.00 0.00 H new ATOM 567 N ASP A 38 -2.294 8.943 -1.339 1.00 0.00 N ATOM 568 CA ASP A 38 -3.521 9.398 -1.987 1.00 0.00 C ATOM 569 C ASP A 38 -3.313 9.645 -3.476 1.00 0.00 C ATOM 570 O ASP A 38 -2.229 10.037 -3.908 1.00 0.00 O ATOM 571 CB ASP A 38 -4.027 10.677 -1.321 1.00 0.00 C ATOM 572 CG ASP A 38 -5.498 10.928 -1.594 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.901 10.872 -2.775 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.247 11.181 -0.626 1.00 0.00 O ATOM 0 H ASP A 38 -1.978 9.539 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.263 8.608 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.866 10.611 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.444 11.525 -1.679 1.00 0.00 H new ATOM 579 N SER A 39 -4.366 9.418 -4.255 1.00 0.00 N ATOM 580 CA SER A 39 -4.316 9.619 -5.697 1.00 0.00 C ATOM 581 C SER A 39 -5.495 10.466 -6.165 1.00 0.00 C ATOM 582 O SER A 39 -5.392 11.688 -6.276 1.00 0.00 O ATOM 583 CB SER A 39 -4.328 8.275 -6.423 1.00 0.00 C ATOM 584 OG SER A 39 -4.477 8.450 -7.820 1.00 0.00 O ATOM 0 H SER A 39 -5.269 9.093 -3.908 1.00 0.00 H new ATOM 0 HA SER A 39 -3.390 10.144 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.401 7.739 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.143 7.660 -6.042 1.00 0.00 H new ATOM 0 HG SER A 39 -4.321 7.596 -8.275 1.00 0.00 H new ATOM 590 N ARG A 40 -6.615 9.803 -6.437 1.00 0.00 N ATOM 591 CA ARG A 40 -7.821 10.484 -6.893 1.00 0.00 C ATOM 592 C ARG A 40 -8.854 9.474 -7.383 1.00 0.00 C ATOM 593 O ARG A 40 -9.067 8.438 -6.754 1.00 0.00 O ATOM 594 CB ARG A 40 -7.484 11.473 -8.013 1.00 0.00 C ATOM 595 CG ARG A 40 -8.386 12.696 -8.034 1.00 0.00 C ATOM 596 CD ARG A 40 -8.433 13.377 -6.675 1.00 0.00 C ATOM 597 NE ARG A 40 -7.774 14.680 -6.693 1.00 0.00 N ATOM 598 CZ ARG A 40 -7.191 15.224 -5.630 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.186 14.580 -4.471 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.611 16.413 -5.725 1.00 0.00 N ATOM 0 H ARG A 40 -6.712 8.791 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.242 11.034 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.449 11.797 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.557 10.961 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.027 13.401 -8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.393 12.402 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.471 13.500 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.954 12.739 -5.933 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.760 15.201 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.630 13.665 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.738 15.000 -3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.612 16.911 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.164 16.829 -4.908 1.00 0.00 H new ATOM 614 N THR A 41 -9.485 9.776 -8.513 1.00 0.00 N ATOM 615 CA THR A 41 -10.486 8.886 -9.084 1.00 0.00 C ATOM 616 C THR A 41 -11.545 8.535 -8.033 1.00 0.00 C ATOM 617 O THR A 41 -11.707 9.263 -7.054 1.00 0.00 O ATOM 618 CB THR A 41 -9.793 7.635 -9.626 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.526 7.068 -10.697 1.00 0.00 O ATOM 620 CG2 THR A 41 -9.577 6.565 -8.580 1.00 0.00 C ATOM 0 H THR A 41 -9.321 10.628 -9.049 1.00 0.00 H new ATOM 0 HA THR A 41 -10.998 9.382 -9.908 1.00 0.00 H new ATOM 0 HB THR A 41 -8.816 7.977 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.152 6.190 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.081 5.707 -9.034 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.955 6.961 -7.778 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.539 6.254 -8.173 1.00 0.00 H new ATOM 628 N PRO A 42 -12.293 7.429 -8.213 1.00 0.00 N ATOM 629 CA PRO A 42 -13.335 7.020 -7.266 1.00 0.00 C ATOM 630 C PRO A 42 -12.958 7.248 -5.802 1.00 0.00 C ATOM 631 O PRO A 42 -13.797 7.099 -4.914 1.00 0.00 O ATOM 632 CB PRO A 42 -13.488 5.535 -7.566 1.00 0.00 C ATOM 633 CG PRO A 42 -13.237 5.438 -9.031 1.00 0.00 C ATOM 634 CD PRO A 42 -12.202 6.488 -9.349 1.00 0.00 C ATOM 0 HA PRO A 42 -14.248 7.603 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.775 4.937 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.484 5.175 -7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.879 4.444 -9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.153 5.611 -9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.205 6.055 -9.431 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.413 6.983 -10.297 1.00 0.00 H new ATOM 642 N GLY A 43 -11.705 7.618 -5.549 1.00 0.00 N ATOM 643 CA GLY A 43 -11.277 7.861 -4.183 1.00 0.00 C ATOM 644 C GLY A 43 -10.274 6.848 -3.684 1.00 0.00 C ATOM 645 O GLY A 43 -10.051 6.724 -2.479 1.00 0.00 O ATOM 0 H GLY A 43 -10.985 7.753 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.840 8.858 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.149 7.852 -3.529 1.00 0.00 H new ATOM 649 N THR A 44 -9.674 6.120 -4.607 1.00 0.00 N ATOM 650 CA THR A 44 -8.693 5.103 -4.256 1.00 0.00 C ATOM 651 C THR A 44 -7.421 5.715 -3.691 1.00 0.00 C ATOM 652 O THR A 44 -7.122 6.888 -3.913 1.00 0.00 O ATOM 653 CB THR A 44 -8.323 4.282 -5.485 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.945 3.964 -5.474 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.619 4.995 -6.783 1.00 0.00 C ATOM 0 H THR A 44 -9.847 6.212 -5.608 1.00 0.00 H new ATOM 0 HA THR A 44 -9.150 4.470 -3.495 1.00 0.00 H new ATOM 0 HB THR A 44 -8.936 3.382 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.421 4.773 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.334 4.359 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.685 5.216 -6.842 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.053 5.925 -6.824 1.00 0.00 H new ATOM 663 N TYR A 45 -6.656 4.884 -2.999 1.00 0.00 N ATOM 664 CA TYR A 45 -5.383 5.295 -2.438 1.00 0.00 C ATOM 665 C TYR A 45 -4.273 4.491 -3.095 1.00 0.00 C ATOM 666 O TYR A 45 -4.510 3.387 -3.591 1.00 0.00 O ATOM 667 CB TYR A 45 -5.336 5.075 -0.927 1.00 0.00 C ATOM 668 CG TYR A 45 -6.448 5.736 -0.162 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.759 5.317 -0.308 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.179 6.769 0.718 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.780 5.908 0.408 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.191 7.370 1.441 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.492 6.936 1.283 1.00 0.00 C ATOM 674 OH TYR A 45 -9.505 7.530 2.000 1.00 0.00 O ATOM 0 H TYR A 45 -6.901 3.911 -2.813 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.253 6.361 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.363 4.004 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.383 5.445 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.987 4.514 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.162 7.111 0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.798 5.568 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.966 8.174 2.126 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.133 8.235 2.570 1.00 0.00 H new ATOM 684 N THR A 46 -3.068 5.027 -3.091 1.00 0.00 N ATOM 685 CA THR A 46 -1.943 4.324 -3.683 1.00 0.00 C ATOM 686 C THR A 46 -1.140 3.627 -2.598 1.00 0.00 C ATOM 687 O THR A 46 -1.075 4.106 -1.469 1.00 0.00 O ATOM 688 CB THR A 46 -1.054 5.283 -4.469 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.831 6.113 -5.314 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.037 4.568 -5.331 1.00 0.00 C ATOM 0 H THR A 46 -2.842 5.937 -2.689 1.00 0.00 H new ATOM 0 HA THR A 46 -2.328 3.577 -4.377 1.00 0.00 H new ATOM 0 HB THR A 46 -0.527 5.875 -3.721 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.132 5.598 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.566 5.301 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.609 3.957 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.553 3.930 -6.048 1.00 0.00 H new ATOM 698 N VAL A 47 -0.539 2.490 -2.927 1.00 0.00 N ATOM 699 CA VAL A 47 0.232 1.756 -1.942 1.00 0.00 C ATOM 700 C VAL A 47 1.628 1.418 -2.421 1.00 0.00 C ATOM 701 O VAL A 47 1.819 0.527 -3.247 1.00 0.00 O ATOM 702 CB VAL A 47 -0.446 0.446 -1.531 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.591 -0.485 -0.917 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.581 0.720 -0.561 1.00 0.00 C ATOM 0 H VAL A 47 -0.571 2.065 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 47 0.294 2.429 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.873 -0.036 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.112 -1.419 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.372 -0.692 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.031 -0.011 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.053 -0.221 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.188 1.211 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.318 1.367 -1.037 1.00 0.00 H new ATOM 714 N SER A 48 2.602 2.099 -1.851 1.00 0.00 N ATOM 715 CA SER A 48 3.990 1.834 -2.176 1.00 0.00 C ATOM 716 C SER A 48 4.453 0.625 -1.376 1.00 0.00 C ATOM 717 O SER A 48 4.525 0.672 -0.141 1.00 0.00 O ATOM 718 CB SER A 48 4.891 3.042 -1.874 1.00 0.00 C ATOM 719 OG SER A 48 5.201 3.750 -3.061 1.00 0.00 O ATOM 0 H SER A 48 2.459 2.838 -1.162 1.00 0.00 H new ATOM 0 HA SER A 48 4.066 1.637 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.391 3.707 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.811 2.704 -1.396 1.00 0.00 H new ATOM 0 HG SER A 48 6.121 3.548 -3.332 1.00 0.00 H new ATOM 725 N VAL A 49 4.744 -0.461 -2.082 1.00 0.00 N ATOM 726 CA VAL A 49 5.191 -1.689 -1.443 1.00 0.00 C ATOM 727 C VAL A 49 6.663 -1.926 -1.737 1.00 0.00 C ATOM 728 O VAL A 49 7.076 -1.982 -2.897 1.00 0.00 O ATOM 729 CB VAL A 49 4.368 -2.904 -1.903 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.882 -2.668 -1.658 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.637 -3.209 -3.368 1.00 0.00 C ATOM 0 H VAL A 49 4.678 -0.514 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 49 5.046 -1.572 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 49 4.674 -3.770 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.316 -3.538 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.710 -2.507 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.556 -1.790 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.046 -4.072 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.363 -2.347 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.696 -3.428 -3.506 1.00 0.00 H new ATOM 741 N PHE A 50 7.452 -2.034 -0.678 1.00 0.00 N ATOM 742 CA PHE A 50 8.890 -2.230 -0.804 1.00 0.00 C ATOM 743 C PHE A 50 9.307 -3.599 -0.271 1.00 0.00 C ATOM 744 O PHE A 50 9.053 -3.930 0.891 1.00 0.00 O ATOM 745 CB PHE A 50 9.597 -1.103 -0.053 1.00 0.00 C ATOM 746 CG PHE A 50 11.052 -1.329 0.212 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.469 -2.354 1.042 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.003 -0.493 -0.349 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.811 -2.545 1.303 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.344 -0.674 -0.087 1.00 0.00 C ATOM 751 CZ PHE A 50 13.749 -1.702 0.739 1.00 0.00 C ATOM 0 H PHE A 50 7.118 -1.989 0.285 1.00 0.00 H new ATOM 0 HA PHE A 50 9.175 -2.203 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.487 -0.182 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.090 -0.949 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.738 -3.011 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.690 0.310 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.127 -3.352 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.076 -0.013 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.799 -1.848 0.945 1.00 0.00 H new ATOM 761 N THR A 51 9.932 -4.399 -1.136 1.00 0.00 N ATOM 762 CA THR A 51 10.360 -5.743 -0.759 1.00 0.00 C ATOM 763 C THR A 51 11.707 -6.120 -1.345 1.00 0.00 C ATOM 764 O THR A 51 11.943 -5.950 -2.540 1.00 0.00 O ATOM 765 CB THR A 51 9.354 -6.772 -1.253 1.00 0.00 C ATOM 766 OG1 THR A 51 8.281 -6.924 -0.340 1.00 0.00 O ATOM 767 CG2 THR A 51 9.982 -8.130 -1.473 1.00 0.00 C ATOM 0 H THR A 51 10.151 -4.140 -2.098 1.00 0.00 H new ATOM 0 HA THR A 51 10.434 -5.738 0.328 1.00 0.00 H new ATOM 0 HB THR A 51 8.985 -6.392 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.418 -7.735 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.223 -8.829 -1.825 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.774 -8.048 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.402 -8.493 -0.535 1.00 0.00 H new ATOM 899 N CYS A 60 12.494 -4.457 -4.057 1.00 0.00 N ATOM 900 CA CYS A 60 11.718 -3.864 -5.133 1.00 0.00 C ATOM 901 C CYS A 60 10.491 -3.160 -4.576 1.00 0.00 C ATOM 902 O CYS A 60 9.720 -3.746 -3.817 1.00 0.00 O ATOM 903 CB CYS A 60 11.284 -4.941 -6.126 1.00 0.00 C ATOM 904 SG CYS A 60 12.553 -5.385 -7.336 1.00 0.00 S ATOM 0 HA CYS A 60 12.344 -3.134 -5.646 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.996 -5.835 -5.573 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.397 -4.595 -6.656 1.00 0.00 H new ATOM 0 HG CYS A 60 12.092 -6.305 -8.131 1.00 0.00 H new ATOM 910 N ILE A 61 10.310 -1.904 -4.957 1.00 0.00 N ATOM 911 CA ILE A 61 9.167 -1.139 -4.489 1.00 0.00 C ATOM 912 C ILE A 61 8.121 -1.002 -5.578 1.00 0.00 C ATOM 913 O ILE A 61 8.384 -0.446 -6.644 1.00 0.00 O ATOM 914 CB ILE A 61 9.568 0.261 -4.001 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.710 0.154 -2.992 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.361 0.961 -3.388 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.945 -0.512 -3.557 1.00 0.00 C ATOM 0 H ILE A 61 10.935 -1.397 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 61 8.750 -1.692 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 61 9.915 0.854 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.972 1.153 -2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.367 -0.408 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.652 1.953 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.574 1.053 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.992 0.378 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.718 -0.556 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.697 -1.523 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.311 0.062 -4.408 1.00 0.00 H new ATOM 929 N LYS A 62 6.934 -1.509 -5.297 1.00 0.00 N ATOM 930 CA LYS A 62 5.838 -1.446 -6.249 1.00 0.00 C ATOM 931 C LYS A 62 4.710 -0.581 -5.705 1.00 0.00 C ATOM 932 O LYS A 62 4.335 -0.695 -4.537 1.00 0.00 O ATOM 933 CB LYS A 62 5.325 -2.851 -6.562 1.00 0.00 C ATOM 934 CG LYS A 62 6.433 -3.864 -6.795 1.00 0.00 C ATOM 935 CD LYS A 62 6.379 -4.432 -8.204 1.00 0.00 C ATOM 936 CE LYS A 62 4.945 -4.648 -8.662 1.00 0.00 C ATOM 937 NZ LYS A 62 4.105 -5.253 -7.593 1.00 0.00 N ATOM 0 H LYS A 62 6.704 -1.970 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 62 6.206 -0.996 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.699 -3.192 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.691 -2.808 -7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.401 -3.391 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.345 -4.674 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.883 -3.753 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.919 -5.378 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.514 -3.694 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.938 -5.295 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.036 -6.280 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.537 -5.068 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.153 -4.835 -7.621 1.00 0.00 H new ATOM 951 N HIS A 63 4.177 0.290 -6.552 1.00 0.00 N ATOM 952 CA HIS A 63 3.098 1.174 -6.145 1.00 0.00 C ATOM 953 C HIS A 63 1.740 0.548 -6.446 1.00 0.00 C ATOM 954 O HIS A 63 1.303 0.505 -7.596 1.00 0.00 O ATOM 955 CB HIS A 63 3.223 2.520 -6.859 1.00 0.00 C ATOM 956 CG HIS A 63 4.641 2.956 -7.065 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.536 3.162 -6.040 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.315 3.227 -8.211 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.700 3.543 -6.582 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.619 3.597 -7.898 1.00 0.00 N ATOM 0 H HIS A 63 4.474 0.402 -7.521 1.00 0.00 H new ATOM 0 HA HIS A 63 3.173 1.332 -5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.726 2.457 -7.827 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.698 3.280 -6.280 1.00 0.00 H new ATOM 0 HD1 HIS A 63 5.347 3.045 -5.045 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.904 3.165 -9.208 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.590 3.776 -6.015 1.00 0.00 H new ATOM 968 N TYR A 64 1.079 0.060 -5.402 1.00 0.00 N ATOM 969 CA TYR A 64 -0.228 -0.570 -5.545 1.00 0.00 C ATOM 970 C TYR A 64 -1.346 0.403 -5.222 1.00 0.00 C ATOM 971 O TYR A 64 -1.449 0.888 -4.097 1.00 0.00 O ATOM 972 CB TYR A 64 -0.333 -1.775 -4.617 1.00 0.00 C ATOM 973 CG TYR A 64 0.780 -2.761 -4.802 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.628 -2.673 -5.889 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.977 -3.778 -3.889 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.652 -3.579 -6.066 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.998 -4.693 -4.052 1.00 0.00 C ATOM 978 CZ TYR A 64 2.834 -4.590 -5.145 1.00 0.00 C ATOM 979 OH TYR A 64 3.853 -5.498 -5.316 1.00 0.00 O ATOM 0 H TYR A 64 1.429 0.089 -4.444 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.330 -0.889 -6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.336 -1.430 -3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.286 -2.276 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.487 -1.882 -6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.322 -3.859 -3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.308 -3.498 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.141 -5.483 -3.330 1.00 0.00 H new ATOM 0 HH TYR A 64 3.538 -6.393 -5.072 1.00 0.00 H new ATOM 989 N HIS A 65 -2.198 0.677 -6.201 1.00 0.00 N ATOM 990 CA HIS A 65 -3.308 1.581 -5.974 1.00 0.00 C ATOM 991 C HIS A 65 -4.536 0.820 -5.525 1.00 0.00 C ATOM 992 O HIS A 65 -5.037 -0.049 -6.238 1.00 0.00 O ATOM 993 CB HIS A 65 -3.644 2.401 -7.212 1.00 0.00 C ATOM 994 CG HIS A 65 -4.202 3.733 -6.858 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.566 4.621 -6.029 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.384 4.300 -7.182 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.370 5.674 -5.868 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.487 5.534 -6.551 1.00 0.00 N ATOM 0 H HIS A 65 -2.141 0.292 -7.144 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.996 2.268 -5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.746 2.532 -7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.363 1.857 -7.824 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.131 3.864 -7.829 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.134 6.532 -5.255 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.264 6.192 -6.605 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.030 1.160 -4.344 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.212 0.505 -3.825 1.00 0.00 C ATOM 1008 C ILE A 66 -7.418 0.887 -4.668 1.00 0.00 C ATOM 1009 O ILE A 66 -7.924 2.004 -4.573 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.468 0.887 -2.354 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.192 1.439 -1.721 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.964 -0.316 -1.567 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.941 0.697 -2.137 1.00 0.00 C ATOM 0 H ILE A 66 -4.634 1.877 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.050 -0.572 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.237 1.659 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.088 2.490 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.286 1.396 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.139 -0.026 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.894 -0.679 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.215 -1.107 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.074 1.143 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.024 -0.349 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.822 0.762 -3.219 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.871 -0.045 -5.495 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.013 0.195 -6.360 1.00 0.00 C ATOM 1027 C LYS A 67 -10.294 0.209 -5.540 1.00 0.00 C ATOM 1028 O LYS A 67 -10.370 -0.456 -4.508 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.097 -0.879 -7.447 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.145 -0.590 -8.509 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.510 -0.345 -9.869 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.757 0.974 -9.903 1.00 0.00 C ATOM 1033 NZ LYS A 67 -9.479 2.006 -10.697 1.00 0.00 N ATOM 0 H LYS A 67 -7.463 -0.976 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.888 1.166 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.123 -0.975 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.319 -1.839 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.837 -1.429 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.729 0.283 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.827 -1.161 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.283 -0.344 -10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.612 1.335 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.766 0.815 -10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.932 2.891 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.595 1.673 -11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.414 2.176 -10.276 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.290 0.964 -6.005 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.576 1.073 -5.313 1.00 0.00 C ATOM 1049 C GLU A 68 -13.696 0.478 -6.163 1.00 0.00 C ATOM 1050 O GLU A 68 -13.755 0.704 -7.372 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.897 2.543 -5.016 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.800 3.285 -4.266 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.344 4.407 -3.404 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.569 4.649 -3.447 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.545 5.045 -2.687 1.00 0.00 O ATOM 0 H GLU A 68 -11.230 1.512 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.503 0.519 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.090 3.058 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.816 2.591 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.253 2.581 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.087 3.694 -4.982 1.00 0.00 H new ATOM 1062 N THR A 69 -14.584 -0.282 -5.527 1.00 0.00 N ATOM 1063 CA THR A 69 -15.700 -0.904 -6.233 1.00 0.00 C ATOM 1064 C THR A 69 -17.024 -0.595 -5.543 1.00 0.00 C ATOM 1065 O THR A 69 -17.088 0.256 -4.654 1.00 0.00 O ATOM 1066 CB THR A 69 -15.498 -2.417 -6.319 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.730 -3.075 -6.556 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.894 -3.011 -5.066 1.00 0.00 C ATOM 0 H THR A 69 -14.553 -0.481 -4.527 1.00 0.00 H new ATOM 0 HA THR A 69 -15.732 -0.491 -7.241 1.00 0.00 H new ATOM 0 HB THR A 69 -14.804 -2.570 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.579 -4.042 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.777 -4.087 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.919 -2.559 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.550 -2.815 -4.218 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.073 -4.323 -0.145 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.690 -4.310 -0.607 1.00 0.00 C ATOM 1129 C LYS A 74 -15.487 -3.253 -1.688 1.00 0.00 C ATOM 1130 O LYS A 74 -15.726 -3.506 -2.869 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.290 -5.684 -1.147 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.234 -6.808 -0.751 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.382 -6.943 -1.737 1.00 0.00 C ATOM 1134 CE LYS A 74 -16.964 -7.734 -2.965 1.00 0.00 C ATOM 1135 NZ LYS A 74 -17.478 -9.131 -2.929 1.00 0.00 N ATOM 0 HA LYS A 74 -15.056 -4.065 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.239 -5.634 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.288 -5.924 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.683 -7.747 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.630 -6.618 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.224 -7.437 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.724 -5.953 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.333 -7.235 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.876 -7.749 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.171 -9.636 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.106 -9.616 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.517 -9.118 -2.889 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.050 -2.069 -1.276 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.823 -0.971 -2.207 1.00 0.00 C ATOM 1151 C ARG A 75 -13.412 -0.991 -2.777 1.00 0.00 C ATOM 1152 O ARG A 75 -13.220 -1.156 -3.981 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.059 0.370 -1.514 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.513 0.800 -1.501 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.987 1.126 -0.093 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.246 -0.080 0.688 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.027 -0.106 1.764 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.621 1.004 2.182 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -18.215 -1.241 2.422 1.00 0.00 N ATOM 0 H ARG A 75 -14.846 -1.845 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.529 -1.098 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.698 0.307 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.467 1.137 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.640 1.674 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.132 0.006 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.234 1.731 0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.895 1.726 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.804 -0.950 0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.479 1.879 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.220 0.982 3.007 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.760 -2.097 2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.814 -1.259 3.247 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.431 -0.775 -1.910 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.040 -0.716 -2.334 1.00 0.00 C ATOM 1175 C TYR A 76 -10.360 -2.080 -2.377 1.00 0.00 C ATOM 1176 O TYR A 76 -10.686 -2.985 -1.609 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.273 0.235 -1.424 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.076 1.459 -1.079 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.245 1.746 -1.766 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.674 2.325 -0.075 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.995 2.859 -1.465 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.419 3.446 0.237 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.580 3.709 -0.462 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.326 4.824 -0.157 1.00 0.00 O ATOM 0 H TYR A 76 -12.574 -0.638 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.032 -0.346 -3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.995 -0.286 -0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.346 0.536 -1.913 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.573 1.083 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.765 2.121 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.904 3.066 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.095 4.112 1.023 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.896 5.316 0.573 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.400 -2.196 -3.290 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.624 -3.427 -3.475 1.00 0.00 C ATOM 1196 C TYR A 77 -7.432 -3.166 -4.396 1.00 0.00 C ATOM 1197 O TYR A 77 -7.378 -2.142 -5.071 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.499 -4.537 -4.059 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.878 -4.303 -5.499 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.756 -3.282 -5.837 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.356 -5.091 -6.519 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.108 -3.051 -7.149 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.704 -4.862 -7.839 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.581 -3.842 -8.147 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.928 -3.612 -9.459 1.00 0.00 O ATOM 0 H TYR A 77 -9.135 -1.442 -3.924 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.259 -3.750 -2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.970 -5.487 -3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.406 -4.627 -3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.170 -2.658 -5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.671 -5.891 -6.278 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.794 -2.254 -7.394 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.291 -5.478 -8.624 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.469 -4.257 -10.037 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.480 -4.093 -4.424 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.299 -3.942 -5.270 1.00 0.00 C ATOM 1217 C VAL A 78 -4.916 -5.263 -5.915 1.00 0.00 C ATOM 1218 O VAL A 78 -3.783 -5.726 -5.780 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.091 -3.417 -4.478 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.322 -1.984 -4.027 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.803 -4.325 -3.294 1.00 0.00 C ATOM 0 H VAL A 78 -6.501 -4.952 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.563 -3.217 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.219 -3.421 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.454 -1.634 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.473 -1.348 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.205 -1.941 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.945 -3.942 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.673 -4.355 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.584 -5.331 -3.652 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.868 -5.866 -6.607 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.640 -7.139 -7.267 1.00 0.00 C ATOM 1233 C ALA A 79 -6.963 -7.817 -7.577 1.00 0.00 C ATOM 1234 O ALA A 79 -7.092 -9.029 -7.413 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.794 -8.049 -6.378 1.00 0.00 C ATOM 0 H ALA A 79 -6.809 -5.492 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.108 -6.954 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.630 -9.001 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.834 -7.573 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.314 -8.223 -5.436 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.967 -7.041 -7.986 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.266 -7.634 -8.247 1.00 0.00 C ATOM 1243 C GLU A 80 -9.467 -8.698 -7.191 1.00 0.00 C ATOM 1244 O GLU A 80 -10.108 -9.725 -7.410 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.319 -8.245 -9.649 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.363 -7.211 -10.763 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.338 -7.477 -11.847 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.562 -8.395 -12.663 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.310 -6.768 -11.880 1.00 0.00 O ATOM 0 H GLU A 80 -7.906 -6.034 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.054 -6.882 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.447 -8.883 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.198 -8.885 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.359 -7.201 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.191 -6.221 -10.341 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.841 -8.436 -6.046 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.850 -9.343 -4.920 1.00 0.00 C ATOM 1258 C LYS A 81 -9.141 -8.606 -3.609 1.00 0.00 C ATOM 1259 O LYS A 81 -9.478 -7.422 -3.618 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.487 -10.027 -4.872 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.680 -9.730 -3.629 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.643 -8.645 -3.876 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.274 -9.241 -4.175 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.619 -9.775 -2.952 1.00 0.00 N ATOM 0 H LYS A 81 -8.312 -7.580 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.643 -10.081 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.633 -11.105 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.911 -9.722 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.349 -9.418 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.182 -10.639 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.960 -8.021 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.576 -7.998 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.379 -10.041 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.637 -8.479 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.800 -9.181 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.297 -9.768 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.300 -10.749 -3.126 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.015 -9.316 -2.486 1.00 0.00 N ATOM 1279 CA TYR A 82 -9.271 -8.732 -1.168 1.00 0.00 C ATOM 1280 C TYR A 82 -9.788 -7.310 -1.278 1.00 0.00 C ATOM 1281 O TYR A 82 -9.057 -6.355 -1.020 1.00 0.00 O ATOM 1282 CB TYR A 82 -8.011 -8.712 -0.302 1.00 0.00 C ATOM 1283 CG TYR A 82 -7.203 -9.978 -0.348 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.443 -11.014 0.535 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -6.195 -10.127 -1.277 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.693 -12.169 0.491 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -5.438 -11.270 -1.340 1.00 0.00 C ATOM 1288 CZ TYR A 82 -5.687 -12.297 -0.450 1.00 0.00 C ATOM 1289 OH TYR A 82 -4.934 -13.447 -0.501 1.00 0.00 O ATOM 0 H TYR A 82 -8.737 -10.297 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.026 -9.365 -0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.380 -7.882 -0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.299 -8.517 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.229 -10.917 1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.996 -9.325 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.890 -12.970 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.655 -11.366 -2.078 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.068 -13.290 -0.070 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.052 -7.167 -1.630 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.642 -5.845 -1.729 1.00 0.00 C ATOM 1301 C VAL A 83 -12.198 -5.435 -0.376 1.00 0.00 C ATOM 1302 O VAL A 83 -12.736 -6.261 0.363 1.00 0.00 O ATOM 1303 CB VAL A 83 -12.753 -5.774 -2.785 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.015 -4.330 -3.183 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.396 -6.616 -4.000 1.00 0.00 C ATOM 0 H VAL A 83 -11.683 -7.938 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.854 -5.159 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.667 -6.180 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.806 -4.297 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.323 -3.761 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.105 -3.896 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.198 -6.551 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.469 -6.246 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.265 -7.655 -3.697 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.049 -4.164 -0.047 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.519 -3.651 1.231 1.00 0.00 C ATOM 1317 C PHE A 84 -13.099 -2.250 1.080 1.00 0.00 C ATOM 1318 O PHE A 84 -13.102 -1.684 -0.011 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.372 -3.647 2.244 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.597 -4.936 2.269 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.581 -5.166 1.354 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.888 -5.920 3.201 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -8.871 -6.352 1.369 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.180 -7.109 3.220 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.170 -7.326 2.302 1.00 0.00 C ATOM 0 H PHE A 84 -11.607 -3.467 -0.646 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.313 -4.304 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.693 -2.827 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.775 -3.454 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.342 -4.410 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.676 -5.757 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.082 -6.517 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.417 -7.867 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.617 -8.253 2.314 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.597 -1.703 2.181 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.188 -0.373 2.171 1.00 0.00 C ATOM 1337 C ASP A 85 -13.235 0.660 2.762 1.00 0.00 C ATOM 1338 O ASP A 85 -13.670 1.667 3.320 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.504 -0.371 2.950 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.305 -0.671 4.423 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.296 -1.864 4.790 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.158 0.288 5.209 1.00 0.00 O ATOM 0 H ASP A 85 -13.603 -2.161 3.093 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.384 -0.103 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.985 0.601 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.179 -1.111 2.519 1.00 0.00 H new ATOM 1347 N SER A 86 -11.935 0.411 2.635 1.00 0.00 N ATOM 1348 CA SER A 86 -10.939 1.337 3.161 1.00 0.00 C ATOM 1349 C SER A 86 -9.528 0.760 3.077 1.00 0.00 C ATOM 1350 O SER A 86 -9.307 -0.443 3.289 1.00 0.00 O ATOM 1351 CB SER A 86 -11.267 1.697 4.609 1.00 0.00 C ATOM 1352 OG SER A 86 -11.617 3.065 4.728 1.00 0.00 O ATOM 0 H SER A 86 -11.550 -0.415 2.177 1.00 0.00 H new ATOM 0 HA SER A 86 -10.970 2.236 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.089 1.076 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.408 1.482 5.244 1.00 0.00 H new ATOM 0 HG SER A 86 -12.484 3.219 4.298 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.570 1.632 2.779 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.181 1.223 2.680 1.00 0.00 C ATOM 1360 C ILE A 87 -6.742 0.525 3.962 1.00 0.00 C ATOM 1361 O ILE A 87 -6.154 -0.546 3.915 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.235 2.412 2.427 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.243 2.848 0.957 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.824 2.036 2.842 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.487 2.464 0.190 1.00 0.00 C ATOM 0 H ILE A 87 -8.734 2.623 2.603 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.118 0.543 1.830 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.590 3.253 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.125 3.931 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.377 2.413 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.155 2.878 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.812 1.783 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.490 1.177 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.402 2.814 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.598 1.380 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.359 2.921 0.658 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.024 1.124 5.135 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.644 0.539 6.422 1.00 0.00 C ATOM 1379 C PRO A 88 -7.115 -0.901 6.528 1.00 0.00 C ATOM 1380 O PRO A 88 -6.333 -1.794 6.850 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.349 1.423 7.460 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.297 2.280 6.685 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.721 2.401 5.302 1.00 0.00 C ATOM 0 HA PRO A 88 -5.563 0.510 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.880 0.817 8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.630 2.032 8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.290 1.832 6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.403 3.260 7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.498 2.541 4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.041 3.248 5.219 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.379 -1.134 6.202 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.908 -2.489 6.210 1.00 0.00 C ATOM 1393 C LEU A 89 -8.183 -3.266 5.127 1.00 0.00 C ATOM 1394 O LEU A 89 -7.574 -4.316 5.377 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.421 -2.504 5.944 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.004 -1.211 5.372 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.125 -1.520 4.396 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.501 -0.310 6.494 1.00 0.00 C ATOM 0 H LEU A 89 -9.048 -0.413 5.932 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.751 -2.939 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.642 -3.318 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.934 -2.730 6.879 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.217 -0.684 4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.528 -0.589 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.738 -2.126 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.915 -2.067 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.913 0.606 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.275 -0.828 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.671 -0.062 7.156 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.217 -2.699 3.923 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.540 -3.286 2.783 1.00 0.00 C ATOM 1412 C LEU A 90 -6.069 -3.507 3.121 1.00 0.00 C ATOM 1413 O LEU A 90 -5.465 -4.499 2.716 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.680 -2.365 1.575 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.206 -2.954 0.250 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.138 -2.533 -0.872 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.778 -2.521 -0.046 1.00 0.00 C ATOM 0 H LEU A 90 -8.710 -1.830 3.718 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.992 -4.248 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.728 -2.082 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.120 -1.450 1.769 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.222 -4.041 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.790 -2.959 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.146 -2.892 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.148 -1.446 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.457 -2.951 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.733 -1.434 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.120 -2.868 0.751 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.510 -2.580 3.893 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.123 -2.669 4.323 1.00 0.00 C ATOM 1431 C ILE A 91 -4.015 -3.660 5.464 1.00 0.00 C ATOM 1432 O ILE A 91 -3.208 -4.589 5.427 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.570 -1.307 4.793 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.668 -0.274 3.673 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.125 -1.452 5.253 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.141 -0.775 2.353 1.00 0.00 C ATOM 0 H ILE A 91 -6.002 -1.754 4.234 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.534 -2.995 3.466 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.171 -0.963 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.710 0.022 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.114 0.619 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.749 -0.483 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.076 -2.160 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.515 -1.817 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.240 0.008 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.090 -1.045 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.711 -1.651 2.042 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.857 -3.465 6.471 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.881 -4.350 7.619 1.00 0.00 C ATOM 1450 C GLN A 92 -5.005 -5.788 7.147 1.00 0.00 C ATOM 1451 O GLN A 92 -4.399 -6.695 7.719 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.045 -3.994 8.546 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.802 -2.739 9.371 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.384 -2.220 9.239 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.085 -1.593 8.107 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -3.565 -2.379 10.144 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.531 -2.700 6.512 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.952 -4.233 8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.946 -3.857 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.232 -4.831 9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.500 -1.962 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.011 -2.952 10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.837 -2.867 10.998 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.615 -2.023 10.040 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.786 -5.993 6.087 1.00 0.00 N ATOM 1466 CA TYR A 93 -5.966 -7.329 5.540 1.00 0.00 C ATOM 1467 C TYR A 93 -4.642 -7.872 4.993 1.00 0.00 C ATOM 1468 O TYR A 93 -4.271 -9.009 5.289 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.041 -7.332 4.454 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.505 -7.638 3.080 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.027 -8.903 2.760 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.469 -6.655 2.104 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.525 -9.174 1.504 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -5.975 -6.920 0.847 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.503 -8.179 0.551 1.00 0.00 C ATOM 1476 OH TYR A 93 -4.998 -8.439 -0.698 1.00 0.00 O ATOM 0 H TYR A 93 -6.297 -5.258 5.598 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.297 -7.984 6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.803 -8.068 4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.531 -6.358 4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.049 -9.685 3.505 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.834 -5.665 2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.152 -10.160 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.958 -6.144 0.096 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.723 -7.599 -1.121 1.00 0.00 H new ATOM 1486 N HIS A 94 -3.913 -7.062 4.212 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.627 -7.509 3.673 1.00 0.00 C ATOM 1488 C HIS A 94 -1.613 -7.660 4.789 1.00 0.00 C ATOM 1489 O HIS A 94 -0.896 -8.657 4.868 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.050 -6.529 2.659 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.933 -6.210 1.494 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.684 -5.117 1.226 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.063 -7.040 0.401 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -4.244 -5.304 -0.014 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -3.852 -6.471 -0.490 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.186 -6.116 3.946 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.817 -8.462 3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.809 -5.599 3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.112 -6.935 2.281 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.811 -4.306 1.831 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.592 -8.006 0.291 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.899 -4.609 -0.518 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.538 -6.644 5.637 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.589 -6.640 6.734 1.00 0.00 C ATOM 1506 C GLN A 95 -0.648 -7.952 7.507 1.00 0.00 C ATOM 1507 O GLN A 95 0.384 -8.537 7.840 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.863 -5.466 7.677 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.417 -4.238 6.978 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.628 -2.983 7.289 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.444 -2.756 6.731 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -1.162 -2.157 8.180 1.00 0.00 N ATOM 0 H GLN A 95 -2.125 -5.812 5.584 1.00 0.00 H new ATOM 0 HA GLN A 95 0.410 -6.529 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.568 -5.785 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.062 -5.197 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.415 -4.406 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.455 -4.093 7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.054 -2.387 8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.680 -1.293 8.427 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.864 -8.407 7.791 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.068 -9.649 8.527 1.00 0.00 C ATOM 1523 C TYR A 96 -2.295 -10.817 7.573 1.00 0.00 C ATOM 1524 O TYR A 96 -1.351 -11.344 6.986 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.262 -9.509 9.474 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.944 -8.760 10.745 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -1.960 -7.781 10.767 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.630 -9.030 11.921 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -1.668 -7.091 11.928 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.344 -8.345 13.086 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.363 -7.377 13.084 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.074 -6.693 14.242 1.00 0.00 O ATOM 0 H TYR A 96 -2.726 -7.932 7.521 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.169 -9.851 9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.070 -8.995 8.953 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.629 -10.503 9.731 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.414 -7.555 9.863 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.400 -9.788 11.925 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.900 -6.332 11.930 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.886 -8.567 13.993 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.654 -7.013 14.964 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.554 -11.215 7.425 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.912 -12.321 6.544 1.00 0.00 C ATOM 1544 C ASN A 97 -2.764 -12.663 5.598 1.00 0.00 C ATOM 1545 O ASN A 97 -1.760 -13.244 6.009 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.164 -11.972 5.737 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.415 -11.947 6.593 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.041 -12.981 6.826 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.785 -10.764 7.067 1.00 0.00 N ATOM 0 H ASN A 97 -4.346 -10.787 7.905 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.117 -13.193 7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.030 -10.998 5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.290 -12.699 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.618 -10.686 7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.236 -9.933 6.848 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.922 -12.298 4.330 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.893 -12.575 3.345 1.00 0.00 C ATOM 1558 C GLY A 98 -2.273 -12.095 1.958 1.00 0.00 C ATOM 1559 O GLY A 98 -2.153 -12.838 0.984 1.00 0.00 O ATOM 0 H GLY A 98 -3.744 -11.815 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.964 -12.094 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.702 -13.648 3.315 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.732 -10.852 1.869 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.124 -10.295 0.587 1.00 0.00 C ATOM 1565 C GLY A 99 -1.959 -10.182 -0.374 1.00 0.00 C ATOM 1566 O GLY A 99 -1.011 -9.438 -0.123 1.00 0.00 O ATOM 0 H GLY A 99 -2.840 -10.219 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.898 -10.921 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.561 -9.309 0.741 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.031 -10.919 -1.478 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.969 -10.882 -2.466 1.00 0.00 C ATOM 1572 C GLY A 100 0.084 -9.841 -2.144 1.00 0.00 C ATOM 1573 O GLY A 100 0.928 -10.054 -1.274 1.00 0.00 O ATOM 0 H GLY A 100 -2.806 -11.541 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.499 -11.864 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.396 -10.672 -3.447 1.00 0.00 H new ATOM 1577 N LEU A 101 0.030 -8.712 -2.842 1.00 0.00 N ATOM 1578 CA LEU A 101 0.986 -7.633 -2.622 1.00 0.00 C ATOM 1579 C LEU A 101 2.396 -8.190 -2.436 1.00 0.00 C ATOM 1580 O LEU A 101 2.594 -9.404 -2.428 1.00 0.00 O ATOM 1581 CB LEU A 101 0.574 -6.803 -1.402 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.588 -5.836 -1.640 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.789 -6.570 -2.227 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.964 -5.130 -0.345 1.00 0.00 C ATOM 0 H LEU A 101 -0.665 -8.520 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 101 0.988 -6.988 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.302 -7.482 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.438 -6.232 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.269 -5.083 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.604 -5.864 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.509 -7.024 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.114 -7.347 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.792 -4.446 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.264 -5.869 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.106 -4.569 0.026 1.00 0.00 H new ATOM 1596 N VAL A 102 3.373 -7.300 -2.293 1.00 0.00 N ATOM 1597 CA VAL A 102 4.760 -7.717 -2.113 1.00 0.00 C ATOM 1598 C VAL A 102 4.869 -8.808 -1.056 1.00 0.00 C ATOM 1599 O VAL A 102 5.734 -9.681 -1.136 1.00 0.00 O ATOM 1600 CB VAL A 102 5.659 -6.537 -1.705 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.964 -5.654 -2.905 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.009 -5.733 -0.589 1.00 0.00 C ATOM 0 H VAL A 102 3.232 -6.290 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 102 5.099 -8.104 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 102 6.603 -6.935 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.601 -4.826 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.477 -6.240 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.033 -5.262 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.659 -4.902 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.050 -5.345 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.852 -6.375 0.278 1.00 0.00 H new ATOM 1612 N THR A 103 3.987 -8.751 -0.064 1.00 0.00 N ATOM 1613 CA THR A 103 3.983 -9.733 1.012 1.00 0.00 C ATOM 1614 C THR A 103 2.933 -9.380 2.059 1.00 0.00 C ATOM 1615 O THR A 103 3.236 -9.276 3.247 1.00 0.00 O ATOM 1616 CB THR A 103 5.366 -9.813 1.662 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.253 -10.030 3.058 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.197 -8.565 1.458 1.00 0.00 C ATOM 0 H THR A 103 3.266 -8.034 0.016 1.00 0.00 H new ATOM 0 HA THR A 103 3.735 -10.706 0.587 1.00 0.00 H new ATOM 0 HB THR A 103 5.867 -10.648 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.601 -9.403 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.165 -8.689 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.345 -8.397 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.680 -7.709 1.892 1.00 0.00 H new ATOM 1626 N ARG A 104 1.696 -9.198 1.608 1.00 0.00 N ATOM 1627 CA ARG A 104 0.598 -8.858 2.505 1.00 0.00 C ATOM 1628 C ARG A 104 1.019 -7.777 3.496 1.00 0.00 C ATOM 1629 O ARG A 104 1.440 -8.077 4.614 1.00 0.00 O ATOM 1630 CB ARG A 104 0.125 -10.108 3.253 1.00 0.00 C ATOM 1631 CG ARG A 104 0.931 -10.413 4.507 1.00 0.00 C ATOM 1632 CD ARG A 104 0.724 -11.846 4.968 1.00 0.00 C ATOM 1633 NE ARG A 104 1.788 -12.294 5.863 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.023 -11.754 7.054 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.274 -10.751 7.491 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.008 -12.218 7.811 1.00 0.00 N ATOM 0 H ARG A 104 1.429 -9.280 0.627 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.226 -8.468 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.922 -9.982 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.178 -10.964 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.990 -10.242 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.640 -9.728 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.236 -11.927 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.681 -12.503 4.099 1.00 0.00 H new ATOM 0 HE ARG A 104 2.383 -13.064 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.515 -10.392 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.457 -10.339 8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.586 -12.990 7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.188 -11.803 8.725 1.00 0.00 H new ATOM 1650 N LEU A 105 0.905 -6.517 3.079 1.00 0.00 N ATOM 1651 CA LEU A 105 1.279 -5.394 3.933 1.00 0.00 C ATOM 1652 C LEU A 105 2.087 -5.844 5.141 1.00 0.00 C ATOM 1653 O LEU A 105 1.746 -5.547 6.285 1.00 0.00 O ATOM 1654 CB LEU A 105 0.037 -4.602 4.357 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.435 -3.601 3.311 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.592 -3.529 2.216 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.795 -3.940 2.730 1.00 0.00 C ATOM 0 H LEU A 105 0.558 -6.250 2.158 1.00 0.00 H new ATOM 0 HA LEU A 105 1.922 -4.735 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.773 -5.300 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.254 -4.071 5.284 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.547 -2.635 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.267 -2.815 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.546 -3.207 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.708 -4.513 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.073 -3.188 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.753 -4.919 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.538 -3.957 3.528 1.00 0.00 H new ATOM 1669 N ARG A 106 3.175 -6.553 4.866 1.00 0.00 N ATOM 1670 CA ARG A 106 4.057 -7.047 5.912 1.00 0.00 C ATOM 1671 C ARG A 106 4.432 -5.941 6.893 1.00 0.00 C ATOM 1672 O ARG A 106 4.535 -6.184 8.095 1.00 0.00 O ATOM 1673 CB ARG A 106 5.322 -7.648 5.299 1.00 0.00 C ATOM 1674 CG ARG A 106 6.556 -7.492 6.173 1.00 0.00 C ATOM 1675 CD ARG A 106 7.439 -8.728 6.118 1.00 0.00 C ATOM 1676 NE ARG A 106 8.781 -8.465 6.628 1.00 0.00 N ATOM 1677 CZ ARG A 106 9.043 -8.175 7.898 1.00 0.00 C ATOM 1678 NH1 ARG A 106 8.057 -8.111 8.782 1.00 0.00 N ATOM 1679 NH2 ARG A 106 10.291 -7.951 8.286 1.00 0.00 N ATOM 0 H ARG A 106 3.468 -6.799 3.920 1.00 0.00 H new ATOM 0 HA ARG A 106 3.519 -7.820 6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.154 -8.708 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.508 -7.175 4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.126 -6.622 5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.252 -7.306 7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.980 -9.527 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.505 -9.081 5.089 1.00 0.00 H new ATOM 0 HE ARG A 106 9.562 -8.506 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.096 -8.284 8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.259 -7.888 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.052 -8.001 7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.490 -7.729 9.261 1.00 0.00 H new ATOM 1693 N TYR A 107 4.645 -4.726 6.387 1.00 0.00 N ATOM 1694 CA TYR A 107 5.014 -3.613 7.258 1.00 0.00 C ATOM 1695 C TYR A 107 4.913 -2.267 6.551 1.00 0.00 C ATOM 1696 O TYR A 107 5.744 -1.929 5.705 1.00 0.00 O ATOM 1697 CB TYR A 107 6.433 -3.804 7.793 1.00 0.00 C ATOM 1698 CG TYR A 107 6.851 -2.724 8.763 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.240 -2.607 10.005 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.850 -1.818 8.436 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.612 -1.616 10.891 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.230 -0.824 9.317 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.608 -0.726 10.544 1.00 0.00 C ATOM 1704 OH TYR A 107 7.982 0.262 11.424 1.00 0.00 O ATOM 0 H TYR A 107 4.570 -4.491 5.397 1.00 0.00 H new ATOM 0 HA TYR A 107 4.304 -3.609 8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.501 -4.774 8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.131 -3.822 6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.461 -3.302 10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.339 -1.891 7.476 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.125 -1.537 11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.010 -0.128 9.046 1.00 0.00 H new ATOM 0 HH TYR A 107 7.186 0.740 11.737 1.00 0.00 H new ATOM 1714 N PRO A 108 3.895 -1.472 6.904 1.00 0.00 N ATOM 1715 CA PRO A 108 3.681 -0.145 6.324 1.00 0.00 C ATOM 1716 C PRO A 108 4.873 0.788 6.558 1.00 0.00 C ATOM 1717 O PRO A 108 5.540 0.711 7.591 1.00 0.00 O ATOM 1718 CB PRO A 108 2.443 0.372 7.066 1.00 0.00 C ATOM 1719 CG PRO A 108 2.364 -0.448 8.303 1.00 0.00 C ATOM 1720 CD PRO A 108 2.866 -1.799 7.903 1.00 0.00 C ATOM 0 HA PRO A 108 3.559 -0.187 5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.538 1.432 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.544 0.259 6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.973 -0.020 9.100 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.341 -0.501 8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.281 -2.345 8.750 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.074 -2.418 7.482 1.00 0.00 H new ATOM 1728 N VAL A 109 5.134 1.670 5.595 1.00 0.00 N ATOM 1729 CA VAL A 109 6.235 2.617 5.691 1.00 0.00 C ATOM 1730 C VAL A 109 5.727 4.042 5.523 1.00 0.00 C ATOM 1731 O VAL A 109 4.812 4.293 4.740 1.00 0.00 O ATOM 1732 CB VAL A 109 7.309 2.347 4.618 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.667 2.109 5.262 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.907 1.170 3.742 1.00 0.00 C ATOM 0 H VAL A 109 4.591 1.746 4.735 1.00 0.00 H new ATOM 0 HA VAL A 109 6.681 2.492 6.678 1.00 0.00 H new ATOM 0 HB VAL A 109 7.389 3.229 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.409 1.921 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.957 2.989 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.609 1.246 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.678 0.995 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.793 0.279 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.961 1.391 3.247 1.00 0.00 H new ATOM 1744 N CYS A 110 6.317 4.973 6.258 1.00 0.00 N ATOM 1745 CA CYS A 110 5.910 6.367 6.174 1.00 0.00 C ATOM 1746 C CYS A 110 7.122 7.286 6.136 1.00 0.00 C ATOM 1747 O CYS A 110 7.591 7.763 7.170 1.00 0.00 O ATOM 1748 CB CYS A 110 5.006 6.728 7.351 1.00 0.00 C ATOM 1749 SG CYS A 110 5.280 8.387 8.016 1.00 0.00 S ATOM 0 H CYS A 110 7.075 4.790 6.916 1.00 0.00 H new ATOM 0 HA CYS A 110 5.351 6.503 5.248 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.966 6.643 7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.158 6.000 8.148 1.00 0.00 H new ATOM 0 HG CYS A 110 6.539 8.693 7.914 1.00 0.00 H new ATOM 1755 N GLY A 111 7.624 7.529 4.932 1.00 0.00 N ATOM 1756 CA GLY A 111 8.779 8.392 4.769 1.00 0.00 C ATOM 1757 C GLY A 111 8.459 9.648 3.984 1.00 0.00 C ATOM 1758 O GLY A 111 8.116 9.579 2.804 1.00 0.00 O ATOM 0 H GLY A 111 7.252 7.144 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.163 8.669 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.571 7.842 4.261 1.00 0.00 H new