USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 560 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 120 LYS NZ :NH3+ 180:sc= -0.0972 (180deg=-0.0972) USER MOD Set 2.1: A 65 THR OG1 : rot 140:sc= -1.48 USER MOD Set 2.2: A 92 LYS NZ :NH3+ -116:sc= -5.63! (180deg=-9.78!) USER MOD Set 3.1: A 88 TYR OH : rot 180:sc= -0.224 USER MOD Set 3.2: A 93 MET CE :methyl -157:sc= -0.0986 (180deg=-1.26) USER MOD Single : A 57 SER OG : rot -55:sc= 0.231 USER MOD Single : A 58 SER OG : rot -51:sc= 0.114 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0.0773 K(o=0.077,f=-3.9!) USER MOD Single : A 77 LYS NZ :NH3+ -145:sc= -1.74 (180deg=-3.48!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.07 K(o=-2.1,f=-1) USER MOD Single : A 90 MET CE :methyl -178:sc= -3.47! (180deg=-3.54!) USER MOD Single : A 91 THR OG1 : rot -76:sc= 0.0539 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0.289 (180deg=0.288) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -164:sc= -0.0857 (180deg=-0.471) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc=-0.00145 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 -2.698 12.294 -4.737 1.00 0.00 N ATOM 2 CA GLY A 56 -1.722 13.081 -4.006 1.00 0.00 C ATOM 3 C GLY A 56 -2.059 13.202 -2.534 1.00 0.00 C ATOM 4 O GLY A 56 -1.950 14.281 -1.952 1.00 0.00 O ATOM 0 HA2 GLY A 56 -0.738 12.625 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.661 14.077 -4.445 1.00 0.00 H new ATOM 8 N SER A 57 -2.472 12.092 -1.929 1.00 0.00 N ATOM 9 CA SER A 57 -2.832 12.080 -0.516 1.00 0.00 C ATOM 10 C SER A 57 -3.963 13.064 -0.236 1.00 0.00 C ATOM 11 O SER A 57 -3.941 13.784 0.763 1.00 0.00 O ATOM 12 CB SER A 57 -1.616 12.424 0.345 1.00 0.00 C ATOM 13 OG SER A 57 -1.864 12.147 1.712 1.00 0.00 O ATOM 0 H SER A 57 -2.565 11.190 -2.396 1.00 0.00 H new ATOM 0 HA SER A 57 -3.175 11.077 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.753 11.852 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.367 13.478 0.224 1.00 0.00 H new ATOM 0 HG SER A 57 -2.674 12.617 1.999 1.00 0.00 H new ATOM 19 N SER A 58 -4.951 13.090 -1.124 1.00 0.00 N ATOM 20 CA SER A 58 -6.090 13.988 -0.975 1.00 0.00 C ATOM 21 C SER A 58 -7.229 13.303 -0.226 1.00 0.00 C ATOM 22 O SER A 58 -8.397 13.644 -0.402 1.00 0.00 O ATOM 23 CB SER A 58 -6.578 14.459 -2.347 1.00 0.00 C ATOM 24 OG SER A 58 -7.359 15.636 -2.233 1.00 0.00 O ATOM 0 H SER A 58 -4.986 12.499 -1.955 1.00 0.00 H new ATOM 0 HA SER A 58 -5.766 14.852 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.723 14.648 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.167 13.672 -2.817 1.00 0.00 H new ATOM 0 HG SER A 58 -8.053 15.503 -1.554 1.00 0.00 H new ATOM 30 N GLY A 59 -6.877 12.332 0.612 1.00 0.00 N ATOM 31 CA GLY A 59 -7.880 11.613 1.377 1.00 0.00 C ATOM 32 C GLY A 59 -7.271 10.572 2.296 1.00 0.00 C ATOM 33 O GLY A 59 -6.255 9.961 1.966 1.00 0.00 O ATOM 0 H GLY A 59 -5.916 12.031 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.459 12.322 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.575 11.127 0.693 1.00 0.00 H new ATOM 37 N SER A 60 -7.893 10.372 3.454 1.00 0.00 N ATOM 38 CA SER A 60 -7.403 9.403 4.427 1.00 0.00 C ATOM 39 C SER A 60 -7.140 8.054 3.764 1.00 0.00 C ATOM 40 O SER A 60 -7.484 7.843 2.601 1.00 0.00 O ATOM 41 CB SER A 60 -8.413 9.236 5.564 1.00 0.00 C ATOM 42 OG SER A 60 -8.165 10.164 6.606 1.00 0.00 O ATOM 0 H SER A 60 -8.737 10.868 3.741 1.00 0.00 H new ATOM 0 HA SER A 60 -6.464 9.777 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.424 9.376 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.359 8.221 5.956 1.00 0.00 H new ATOM 0 HG SER A 60 -8.825 10.038 7.320 1.00 0.00 H new ATOM 48 N SER A 61 -6.525 7.144 4.513 1.00 0.00 N ATOM 49 CA SER A 61 -6.211 5.816 3.998 1.00 0.00 C ATOM 50 C SER A 61 -6.675 4.734 4.968 1.00 0.00 C ATOM 51 O SER A 61 -5.910 4.273 5.814 1.00 0.00 O ATOM 52 CB SER A 61 -4.707 5.685 3.751 1.00 0.00 C ATOM 53 OG SER A 61 -4.223 6.760 2.965 1.00 0.00 O ATOM 0 H SER A 61 -6.234 7.302 5.478 1.00 0.00 H new ATOM 0 HA SER A 61 -6.740 5.684 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.180 5.662 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.499 4.740 3.248 1.00 0.00 H new ATOM 0 HG SER A 61 -3.259 6.653 2.823 1.00 0.00 H new ATOM 59 N GLY A 62 -7.936 4.332 4.837 1.00 0.00 N ATOM 60 CA GLY A 62 -8.482 3.307 5.707 1.00 0.00 C ATOM 61 C GLY A 62 -9.573 2.497 5.036 1.00 0.00 C ATOM 62 O GLY A 62 -10.592 2.188 5.652 1.00 0.00 O ATOM 0 H GLY A 62 -8.589 4.698 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.681 2.639 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.882 3.774 6.607 1.00 0.00 H new ATOM 66 N GLU A 63 -9.360 2.155 3.769 1.00 0.00 N ATOM 67 CA GLU A 63 -10.336 1.378 3.014 1.00 0.00 C ATOM 68 C GLU A 63 -10.092 -0.118 3.186 1.00 0.00 C ATOM 69 O GLU A 63 -9.191 -0.532 3.917 1.00 0.00 O ATOM 70 CB GLU A 63 -10.277 1.748 1.530 1.00 0.00 C ATOM 71 CG GLU A 63 -8.867 1.777 0.966 1.00 0.00 C ATOM 72 CD GLU A 63 -8.842 2.016 -0.531 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.710 1.458 -1.235 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.956 2.761 -0.999 1.00 0.00 O ATOM 0 H GLU A 63 -8.521 2.404 3.244 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.327 1.613 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.872 1.033 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.736 2.727 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.296 2.560 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.372 0.832 1.187 1.00 0.00 H new ATOM 81 N LYS A 64 -10.901 -0.926 2.509 1.00 0.00 N ATOM 82 CA LYS A 64 -10.775 -2.376 2.585 1.00 0.00 C ATOM 83 C LYS A 64 -9.534 -2.854 1.837 1.00 0.00 C ATOM 84 O LYS A 64 -9.272 -4.054 1.750 1.00 0.00 O ATOM 85 CB LYS A 64 -12.022 -3.048 2.008 1.00 0.00 C ATOM 86 CG LYS A 64 -13.318 -2.572 2.641 1.00 0.00 C ATOM 87 CD LYS A 64 -14.531 -3.162 1.941 1.00 0.00 C ATOM 88 CE LYS A 64 -14.784 -4.596 2.378 1.00 0.00 C ATOM 89 NZ LYS A 64 -16.158 -5.050 2.024 1.00 0.00 N ATOM 0 H LYS A 64 -11.652 -0.600 1.901 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.674 -2.652 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.062 -2.861 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.937 -4.127 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.333 -2.851 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.366 -1.484 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.409 -2.554 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.381 -3.131 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.052 -5.253 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.641 -4.678 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.291 -6.032 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.857 -4.439 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.287 -4.996 0.993 1.00 0.00 H new ATOM 103 N THR A 65 -8.772 -1.907 1.298 1.00 0.00 N ATOM 104 CA THR A 65 -7.560 -2.232 0.557 1.00 0.00 C ATOM 105 C THR A 65 -6.906 -3.498 1.100 1.00 0.00 C ATOM 106 O THR A 65 -6.381 -4.312 0.340 1.00 0.00 O ATOM 107 CB THR A 65 -6.541 -1.078 0.614 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.321 -1.469 -0.025 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.259 -0.675 2.054 1.00 0.00 C ATOM 0 H THR A 65 -8.973 -0.909 1.361 1.00 0.00 H new ATOM 0 HA THR A 65 -7.857 -2.395 -0.479 1.00 0.00 H new ATOM 0 HB THR A 65 -6.966 -0.222 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.970 -0.718 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.537 0.141 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.185 -0.349 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.853 -1.528 2.598 1.00 0.00 H new ATOM 117 N VAL A 66 -6.943 -3.659 2.419 1.00 0.00 N ATOM 118 CA VAL A 66 -6.356 -4.828 3.063 1.00 0.00 C ATOM 119 C VAL A 66 -7.353 -5.979 3.126 1.00 0.00 C ATOM 120 O VAL A 66 -8.532 -5.779 3.419 1.00 0.00 O ATOM 121 CB VAL A 66 -5.875 -4.500 4.489 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.558 -5.777 5.252 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.663 -3.582 4.445 1.00 0.00 C ATOM 0 H VAL A 66 -7.373 -2.995 3.062 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.500 -5.127 2.458 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.677 -3.980 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.220 -5.526 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.453 -6.395 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.773 -6.326 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.337 -3.361 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.854 -4.073 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.928 -2.654 3.939 1.00 0.00 H new ATOM 133 N VAL A 67 -6.871 -7.187 2.850 1.00 0.00 N ATOM 134 CA VAL A 67 -7.720 -8.373 2.877 1.00 0.00 C ATOM 135 C VAL A 67 -7.867 -8.911 4.295 1.00 0.00 C ATOM 136 O VAL A 67 -6.877 -9.204 4.966 1.00 0.00 O ATOM 137 CB VAL A 67 -7.158 -9.486 1.973 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.879 -10.800 2.232 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.268 -9.088 0.508 1.00 0.00 C ATOM 0 H VAL A 67 -5.898 -7.370 2.605 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.698 -8.071 2.503 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.103 -9.625 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.468 -11.574 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.744 -11.090 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.942 -10.679 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.866 -9.886 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.315 -8.920 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.702 -8.173 0.336 1.00 0.00 H new ATOM 149 N CYS A 68 -9.110 -9.040 4.747 1.00 0.00 N ATOM 150 CA CYS A 68 -9.389 -9.544 6.087 1.00 0.00 C ATOM 151 C CYS A 68 -8.475 -10.718 6.428 1.00 0.00 C ATOM 152 O CYS A 68 -8.184 -11.560 5.578 1.00 0.00 O ATOM 153 CB CYS A 68 -10.852 -9.974 6.198 1.00 0.00 C ATOM 154 SG CYS A 68 -11.416 -10.260 7.907 1.00 0.00 S ATOM 0 H CYS A 68 -9.941 -8.802 4.205 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.199 -8.740 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.480 -9.208 5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -10.996 -10.888 5.622 1.00 0.00 H new ATOM 159 N LYS A 69 -8.025 -10.766 7.677 1.00 0.00 N ATOM 160 CA LYS A 69 -7.145 -11.836 8.133 1.00 0.00 C ATOM 161 C LYS A 69 -7.954 -13.026 8.641 1.00 0.00 C ATOM 162 O LYS A 69 -7.520 -14.174 8.537 1.00 0.00 O ATOM 163 CB LYS A 69 -6.218 -11.326 9.238 1.00 0.00 C ATOM 164 CG LYS A 69 -6.957 -10.822 10.467 1.00 0.00 C ATOM 165 CD LYS A 69 -6.002 -10.213 11.480 1.00 0.00 C ATOM 166 CE LYS A 69 -5.567 -8.816 11.065 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.089 -8.016 12.227 1.00 0.00 N ATOM 0 H LYS A 69 -8.255 -10.076 8.392 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.543 -12.164 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.543 -12.129 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.600 -10.521 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.696 -10.078 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.502 -11.646 10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.484 -10.170 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.125 -10.852 11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.772 -8.889 10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.402 -8.302 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.802 -7.070 11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.855 -7.925 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.276 -8.493 12.666 1.00 0.00 H new ATOM 181 N HIS A 70 -9.131 -12.744 9.190 1.00 0.00 N ATOM 182 CA HIS A 70 -10.001 -13.792 9.712 1.00 0.00 C ATOM 183 C HIS A 70 -10.610 -14.609 8.577 1.00 0.00 C ATOM 184 O HIS A 70 -10.444 -15.827 8.518 1.00 0.00 O ATOM 185 CB HIS A 70 -11.111 -13.182 10.569 1.00 0.00 C ATOM 186 CG HIS A 70 -10.619 -12.162 11.550 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.078 -10.952 11.169 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.590 -12.177 12.903 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.736 -10.267 12.246 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.036 -10.988 13.311 1.00 0.00 N ATOM 0 H HIS A 70 -9.504 -11.799 9.285 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.397 -14.456 10.330 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.850 -12.719 9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.620 -13.979 11.111 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.938 -12.975 13.543 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.287 -9.285 12.254 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.881 -10.708 14.279 1.00 0.00 H new ATOM 198 N TRP A 71 -11.315 -13.931 7.678 1.00 0.00 N ATOM 199 CA TRP A 71 -11.949 -14.594 6.545 1.00 0.00 C ATOM 200 C TRP A 71 -10.978 -15.550 5.861 1.00 0.00 C ATOM 201 O TRP A 71 -11.363 -16.638 5.429 1.00 0.00 O ATOM 202 CB TRP A 71 -12.458 -13.559 5.541 1.00 0.00 C ATOM 203 CG TRP A 71 -12.586 -14.096 4.147 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.665 -14.740 3.613 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.598 -14.038 3.112 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.409 -15.085 2.308 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.148 -14.665 1.977 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.305 -13.516 3.033 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.446 -14.783 0.780 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.610 -13.634 1.845 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.182 -14.263 0.731 1.00 0.00 C ATOM 0 H TRP A 71 -11.462 -12.922 7.712 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.794 -15.171 6.920 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.429 -13.190 5.871 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.779 -12.706 5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.585 -14.948 4.139 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.053 -15.574 1.687 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.856 -13.029 3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.884 -15.268 -0.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.609 -13.235 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.614 -14.339 -0.184 1.00 0.00 H new ATOM 222 N LEU A 72 -9.718 -15.139 5.766 1.00 0.00 N ATOM 223 CA LEU A 72 -8.691 -15.961 5.134 1.00 0.00 C ATOM 224 C LEU A 72 -8.789 -17.409 5.601 1.00 0.00 C ATOM 225 O LEU A 72 -8.877 -18.329 4.788 1.00 0.00 O ATOM 226 CB LEU A 72 -7.301 -15.404 5.448 1.00 0.00 C ATOM 227 CG LEU A 72 -6.852 -14.208 4.608 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.660 -13.520 5.254 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.512 -14.649 3.191 1.00 0.00 C ATOM 0 H LEU A 72 -9.383 -14.242 6.118 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.851 -15.935 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.276 -15.114 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.573 -16.205 5.321 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.674 -13.494 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.354 -12.671 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.937 -13.170 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.833 -14.225 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.194 -13.785 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.706 -15.382 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.392 -15.096 2.728 1.00 0.00 H new ATOM 241 N ARG A 73 -8.774 -17.604 6.916 1.00 0.00 N ATOM 242 CA ARG A 73 -8.862 -18.941 7.491 1.00 0.00 C ATOM 243 C ARG A 73 -10.307 -19.290 7.837 1.00 0.00 C ATOM 244 O ARG A 73 -10.570 -20.269 8.533 1.00 0.00 O ATOM 245 CB ARG A 73 -7.989 -19.039 8.743 1.00 0.00 C ATOM 246 CG ARG A 73 -6.531 -19.351 8.446 1.00 0.00 C ATOM 247 CD ARG A 73 -5.724 -19.507 9.725 1.00 0.00 C ATOM 248 NE ARG A 73 -5.772 -18.305 10.553 1.00 0.00 N ATOM 249 CZ ARG A 73 -5.585 -18.310 11.868 1.00 0.00 C ATOM 250 NH1 ARG A 73 -5.338 -19.449 12.501 1.00 0.00 N ATOM 251 NH2 ARG A 73 -5.645 -17.175 12.553 1.00 0.00 N ATOM 0 H ARG A 73 -8.702 -16.853 7.603 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.502 -19.653 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.046 -18.098 9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.392 -19.813 9.397 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.466 -20.267 7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.103 -18.553 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.107 -20.354 10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.688 -19.733 9.474 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.959 -17.412 10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.291 -20.323 11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.195 -19.451 13.511 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.835 -16.297 12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.501 -17.181 13.563 1.00 0.00 H new ATOM 265 N GLY A 74 -11.240 -18.481 7.344 1.00 0.00 N ATOM 266 CA GLY A 74 -12.646 -18.721 7.612 1.00 0.00 C ATOM 267 C GLY A 74 -13.016 -18.446 9.056 1.00 0.00 C ATOM 268 O GLY A 74 -13.624 -19.286 9.720 1.00 0.00 O ATOM 0 H GLY A 74 -11.047 -17.664 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.250 -18.091 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.888 -19.756 7.369 1.00 0.00 H new ATOM 272 N LEU A 75 -12.648 -17.267 9.545 1.00 0.00 N ATOM 273 CA LEU A 75 -12.944 -16.882 10.921 1.00 0.00 C ATOM 274 C LEU A 75 -13.703 -15.560 10.966 1.00 0.00 C ATOM 275 O LEU A 75 -13.564 -14.784 11.912 1.00 0.00 O ATOM 276 CB LEU A 75 -11.650 -16.769 11.728 1.00 0.00 C ATOM 277 CG LEU A 75 -10.973 -18.089 12.101 1.00 0.00 C ATOM 278 CD1 LEU A 75 -10.207 -18.649 10.913 1.00 0.00 C ATOM 279 CD2 LEU A 75 -10.047 -17.895 13.293 1.00 0.00 C ATOM 0 H LEU A 75 -12.144 -16.561 9.009 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.574 -17.655 11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.941 -16.169 11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.865 -16.222 12.646 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.745 -18.806 12.380 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.732 -19.588 11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.896 -18.826 10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.444 -17.935 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.574 -18.844 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.280 -17.162 13.042 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.623 -17.539 14.147 1.00 0.00 H new ATOM 291 N CYS A 76 -14.508 -15.310 9.938 1.00 0.00 N ATOM 292 CA CYS A 76 -15.291 -14.083 9.860 1.00 0.00 C ATOM 293 C CYS A 76 -16.729 -14.381 9.446 1.00 0.00 C ATOM 294 O CYS A 76 -16.972 -15.122 8.493 1.00 0.00 O ATOM 295 CB CYS A 76 -14.654 -13.109 8.868 1.00 0.00 C ATOM 296 SG CYS A 76 -15.049 -11.359 9.186 1.00 0.00 S ATOM 0 H CYS A 76 -14.635 -15.942 9.147 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.304 -13.626 10.850 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.572 -13.237 8.894 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.981 -13.367 7.861 1.00 0.00 H new ATOM 301 N LYS A 77 -17.680 -13.799 10.168 1.00 0.00 N ATOM 302 CA LYS A 77 -19.094 -13.999 9.876 1.00 0.00 C ATOM 303 C LYS A 77 -19.737 -12.707 9.383 1.00 0.00 C ATOM 304 O LYS A 77 -20.943 -12.508 9.523 1.00 0.00 O ATOM 305 CB LYS A 77 -19.827 -14.502 11.122 1.00 0.00 C ATOM 306 CG LYS A 77 -19.810 -16.014 11.269 1.00 0.00 C ATOM 307 CD LYS A 77 -18.420 -16.526 11.605 1.00 0.00 C ATOM 308 CE LYS A 77 -18.057 -16.243 13.055 1.00 0.00 C ATOM 309 NZ LYS A 77 -17.537 -14.860 13.237 1.00 0.00 N ATOM 0 H LYS A 77 -17.497 -13.184 10.961 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.173 -14.747 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.373 -14.054 12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.861 -14.160 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.508 -16.312 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.154 -16.474 10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.372 -17.599 11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.689 -16.056 10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.936 -16.386 13.684 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.306 -16.960 13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.799 -14.860 13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.135 -14.520 12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.314 -14.233 13.528 1.00 0.00 H new ATOM 323 N LYS A 78 -18.923 -11.830 8.804 1.00 0.00 N ATOM 324 CA LYS A 78 -19.411 -10.557 8.287 1.00 0.00 C ATOM 325 C LYS A 78 -19.582 -10.615 6.773 1.00 0.00 C ATOM 326 O LYS A 78 -20.664 -10.351 6.250 1.00 0.00 O ATOM 327 CB LYS A 78 -18.447 -9.429 8.659 1.00 0.00 C ATOM 328 CG LYS A 78 -18.202 -9.305 10.153 1.00 0.00 C ATOM 329 CD LYS A 78 -17.420 -8.046 10.488 1.00 0.00 C ATOM 330 CE LYS A 78 -17.696 -7.580 11.909 1.00 0.00 C ATOM 331 NZ LYS A 78 -17.100 -8.497 12.920 1.00 0.00 N ATOM 0 H LYS A 78 -17.921 -11.978 8.681 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.383 -10.359 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.495 -9.596 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.844 -8.485 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.157 -9.292 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.655 -10.179 10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.354 -8.236 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.685 -7.255 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.293 -6.577 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.773 -7.516 12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.311 -8.144 13.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.503 -9.449 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.070 -8.539 12.786 1.00 0.00 H new ATOM 345 N GLY A 79 -18.507 -10.964 6.072 1.00 0.00 N ATOM 346 CA GLY A 79 -18.561 -11.052 4.625 1.00 0.00 C ATOM 347 C GLY A 79 -18.631 -9.689 3.964 1.00 0.00 C ATOM 348 O GLY A 79 -17.610 -9.027 3.783 1.00 0.00 O ATOM 0 H GLY A 79 -17.600 -11.187 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.681 -11.583 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.431 -11.640 4.332 1.00 0.00 H new ATOM 352 N ASP A 80 -19.839 -9.271 3.601 1.00 0.00 N ATOM 353 CA ASP A 80 -20.038 -7.979 2.955 1.00 0.00 C ATOM 354 C ASP A 80 -20.104 -6.859 3.989 1.00 0.00 C ATOM 355 O ASP A 80 -20.062 -5.679 3.643 1.00 0.00 O ATOM 356 CB ASP A 80 -21.319 -7.995 2.120 1.00 0.00 C ATOM 357 CG ASP A 80 -21.221 -8.925 0.927 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.995 -10.135 1.136 1.00 0.00 O ATOM 359 OD2 ASP A 80 -21.370 -8.444 -0.216 1.00 0.00 O ATOM 0 H ASP A 80 -20.695 -9.808 3.743 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.188 -7.793 2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -22.155 -8.302 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.535 -6.985 1.773 1.00 0.00 H new ATOM 364 N GLN A 81 -20.208 -7.239 5.259 1.00 0.00 N ATOM 365 CA GLN A 81 -20.282 -6.266 6.342 1.00 0.00 C ATOM 366 C GLN A 81 -18.892 -5.945 6.882 1.00 0.00 C ATOM 367 O GLN A 81 -18.669 -4.881 7.460 1.00 0.00 O ATOM 368 CB GLN A 81 -21.170 -6.794 7.470 1.00 0.00 C ATOM 369 CG GLN A 81 -22.652 -6.793 7.129 1.00 0.00 C ATOM 370 CD GLN A 81 -23.035 -7.923 6.193 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.471 -7.690 5.065 1.00 0.00 O ATOM 372 NE2 GLN A 81 -22.874 -9.157 6.657 1.00 0.00 N ATOM 0 H GLN A 81 -20.243 -8.212 5.562 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.718 -5.350 5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.863 -7.810 7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.010 -6.187 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.233 -6.874 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.915 -5.840 6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.509 -9.304 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.115 -9.957 6.072 1.00 0.00 H new ATOM 381 N CYS A 82 -17.960 -6.873 6.689 1.00 0.00 N ATOM 382 CA CYS A 82 -16.591 -6.690 7.156 1.00 0.00 C ATOM 383 C CYS A 82 -16.041 -5.338 6.714 1.00 0.00 C ATOM 384 O CYS A 82 -16.586 -4.700 5.814 1.00 0.00 O ATOM 385 CB CYS A 82 -15.696 -7.814 6.630 1.00 0.00 C ATOM 386 SG CYS A 82 -14.066 -7.907 7.438 1.00 0.00 S ATOM 0 H CYS A 82 -18.128 -7.759 6.212 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.599 -6.720 8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.210 -8.766 6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.551 -7.677 5.558 1.00 0.00 H new ATOM 391 N GLU A 83 -14.957 -4.907 7.353 1.00 0.00 N ATOM 392 CA GLU A 83 -14.334 -3.631 7.026 1.00 0.00 C ATOM 393 C GLU A 83 -13.104 -3.835 6.146 1.00 0.00 C ATOM 394 O GLU A 83 -12.425 -2.877 5.777 1.00 0.00 O ATOM 395 CB GLU A 83 -13.943 -2.886 8.304 1.00 0.00 C ATOM 396 CG GLU A 83 -13.388 -3.792 9.390 1.00 0.00 C ATOM 397 CD GLU A 83 -12.502 -3.051 10.372 1.00 0.00 C ATOM 398 OE1 GLU A 83 -12.168 -1.878 10.101 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.142 -3.642 11.411 1.00 0.00 O ATOM 0 H GLU A 83 -14.493 -5.424 8.100 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.059 -3.033 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.199 -2.128 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.817 -2.362 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.215 -4.254 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.818 -4.598 8.929 1.00 0.00 H new ATOM 406 N PHE A 84 -12.824 -5.091 5.814 1.00 0.00 N ATOM 407 CA PHE A 84 -11.675 -5.423 4.979 1.00 0.00 C ATOM 408 C PHE A 84 -12.110 -6.204 3.742 1.00 0.00 C ATOM 409 O PHE A 84 -13.250 -6.661 3.651 1.00 0.00 O ATOM 410 CB PHE A 84 -10.656 -6.238 5.778 1.00 0.00 C ATOM 411 CG PHE A 84 -9.978 -5.451 6.863 1.00 0.00 C ATOM 412 CD1 PHE A 84 -8.820 -4.737 6.599 1.00 0.00 C ATOM 413 CD2 PHE A 84 -10.498 -5.425 8.147 1.00 0.00 C ATOM 414 CE1 PHE A 84 -8.194 -4.013 7.596 1.00 0.00 C ATOM 415 CE2 PHE A 84 -9.877 -4.702 9.147 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.723 -3.995 8.871 1.00 0.00 C ATOM 0 H PHE A 84 -13.377 -5.895 6.110 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.211 -4.491 4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.158 -7.097 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.900 -6.628 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.402 -4.746 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.400 -5.977 8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.291 -3.462 7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.293 -4.690 10.143 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.235 -3.429 9.651 1.00 0.00 H new ATOM 426 N LEU A 85 -11.194 -6.351 2.791 1.00 0.00 N ATOM 427 CA LEU A 85 -11.480 -7.076 1.558 1.00 0.00 C ATOM 428 C LEU A 85 -11.494 -8.582 1.802 1.00 0.00 C ATOM 429 O LEU A 85 -10.650 -9.112 2.526 1.00 0.00 O ATOM 430 CB LEU A 85 -10.444 -6.730 0.487 1.00 0.00 C ATOM 431 CG LEU A 85 -10.660 -5.411 -0.254 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.372 -4.960 -0.927 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.778 -5.550 -1.277 1.00 0.00 C ATOM 0 H LEU A 85 -10.247 -5.978 2.850 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.468 -6.774 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.461 -6.703 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.425 -7.537 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.952 -4.652 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.545 -4.019 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.597 -4.819 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.050 -5.718 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.917 -4.601 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.516 -6.323 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.703 -5.826 -0.770 1.00 0.00 H new ATOM 445 N HIS A 86 -12.456 -9.266 1.191 1.00 0.00 N ATOM 446 CA HIS A 86 -12.577 -10.712 1.339 1.00 0.00 C ATOM 447 C HIS A 86 -12.142 -11.428 0.064 1.00 0.00 C ATOM 448 O HIS A 86 -12.586 -12.540 -0.216 1.00 0.00 O ATOM 449 CB HIS A 86 -14.018 -11.091 1.685 1.00 0.00 C ATOM 450 CG HIS A 86 -14.321 -11.022 3.150 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.376 -11.691 3.733 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.698 -10.359 4.152 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.391 -11.441 5.030 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.382 -10.636 5.310 1.00 0.00 N ATOM 0 H HIS A 86 -13.162 -8.843 0.589 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.921 -11.025 2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.698 -10.427 1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.214 -12.102 1.329 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.041 -12.286 3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.826 -9.729 4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.106 -11.829 5.740 1.00 0.00 H new ATOM 462 N GLU A 87 -11.272 -10.780 -0.705 1.00 0.00 N ATOM 463 CA GLU A 87 -10.779 -11.355 -1.951 1.00 0.00 C ATOM 464 C GLU A 87 -9.254 -11.405 -1.961 1.00 0.00 C ATOM 465 O GLU A 87 -8.588 -10.463 -1.533 1.00 0.00 O ATOM 466 CB GLU A 87 -11.282 -10.543 -3.147 1.00 0.00 C ATOM 467 CG GLU A 87 -10.824 -9.094 -3.134 1.00 0.00 C ATOM 468 CD GLU A 87 -10.891 -8.450 -4.505 1.00 0.00 C ATOM 469 OE1 GLU A 87 -10.755 -9.179 -5.510 1.00 0.00 O ATOM 470 OE2 GLU A 87 -11.079 -7.217 -4.574 1.00 0.00 O ATOM 0 H GLU A 87 -10.895 -9.858 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.159 -12.374 -2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.938 -11.016 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.372 -10.571 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.444 -8.527 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.801 -9.043 -2.762 1.00 0.00 H new ATOM 477 N TYR A 88 -8.708 -12.512 -2.453 1.00 0.00 N ATOM 478 CA TYR A 88 -7.262 -12.688 -2.517 1.00 0.00 C ATOM 479 C TYR A 88 -6.678 -11.959 -3.723 1.00 0.00 C ATOM 480 O TYR A 88 -6.792 -12.423 -4.858 1.00 0.00 O ATOM 481 CB TYR A 88 -6.911 -14.175 -2.585 1.00 0.00 C ATOM 482 CG TYR A 88 -5.604 -14.520 -1.908 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.394 -14.383 -2.578 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.578 -14.983 -0.598 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.198 -14.698 -1.963 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.386 -15.299 0.025 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.199 -15.155 -0.662 1.00 0.00 C ATOM 488 OH TYR A 88 -2.010 -15.469 -0.045 1.00 0.00 O ATOM 0 H TYR A 88 -9.245 -13.301 -2.813 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.828 -12.261 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.713 -14.751 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.861 -14.481 -3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.389 -14.024 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.506 -15.098 -0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.267 -14.587 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.384 -15.657 1.044 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.187 -15.775 0.869 1.00 0.00 H new ATOM 498 N ASP A 89 -6.051 -10.816 -3.468 1.00 0.00 N ATOM 499 CA ASP A 89 -5.445 -10.022 -4.532 1.00 0.00 C ATOM 500 C ASP A 89 -3.980 -9.730 -4.225 1.00 0.00 C ATOM 501 O ASP A 89 -3.653 -9.191 -3.168 1.00 0.00 O ATOM 502 CB ASP A 89 -6.212 -8.712 -4.719 1.00 0.00 C ATOM 503 CG ASP A 89 -6.222 -8.248 -6.162 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.215 -8.475 -6.866 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.236 -7.658 -6.588 1.00 0.00 O ATOM 0 H ASP A 89 -5.949 -10.418 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.495 -10.598 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.238 -8.843 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.763 -7.939 -4.095 1.00 0.00 H new ATOM 510 N MET A 90 -3.102 -10.090 -5.156 1.00 0.00 N ATOM 511 CA MET A 90 -1.672 -9.865 -4.984 1.00 0.00 C ATOM 512 C MET A 90 -1.357 -8.374 -4.938 1.00 0.00 C ATOM 513 O MET A 90 -0.227 -7.975 -4.654 1.00 0.00 O ATOM 514 CB MET A 90 -0.890 -10.528 -6.120 1.00 0.00 C ATOM 515 CG MET A 90 -0.680 -12.021 -5.922 1.00 0.00 C ATOM 516 SD MET A 90 0.978 -12.417 -5.334 1.00 0.00 S ATOM 517 CE MET A 90 0.939 -11.688 -3.698 1.00 0.00 C ATOM 0 H MET A 90 -3.356 -10.538 -6.036 1.00 0.00 H new ATOM 0 HA MET A 90 -1.371 -10.311 -4.036 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.420 -10.365 -7.058 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.081 -10.042 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.414 -12.396 -5.208 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.860 -12.538 -6.865 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.909 -11.819 -3.218 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.715 -10.624 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.170 -12.177 -3.100 1.00 0.00 H new ATOM 527 N THR A 91 -2.364 -7.552 -5.219 1.00 0.00 N ATOM 528 CA THR A 91 -2.194 -6.104 -5.210 1.00 0.00 C ATOM 529 C THR A 91 -2.843 -5.482 -3.979 1.00 0.00 C ATOM 530 O THR A 91 -2.196 -4.756 -3.224 1.00 0.00 O ATOM 531 CB THR A 91 -2.795 -5.461 -6.474 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.209 -5.685 -6.513 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.152 -6.031 -7.730 1.00 0.00 C ATOM 0 H THR A 91 -3.306 -7.865 -5.456 1.00 0.00 H new ATOM 0 HA THR A 91 -1.121 -5.911 -5.188 1.00 0.00 H new ATOM 0 HB THR A 91 -2.598 -4.390 -6.438 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.386 -6.612 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.593 -5.562 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.080 -5.833 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.322 -7.107 -7.769 1.00 0.00 H new ATOM 541 N LYS A 92 -4.125 -5.770 -3.782 1.00 0.00 N ATOM 542 CA LYS A 92 -4.862 -5.240 -2.641 1.00 0.00 C ATOM 543 C LYS A 92 -4.290 -5.770 -1.330 1.00 0.00 C ATOM 544 O LYS A 92 -4.198 -5.041 -0.343 1.00 0.00 O ATOM 545 CB LYS A 92 -6.343 -5.608 -2.749 1.00 0.00 C ATOM 546 CG LYS A 92 -7.019 -5.054 -3.992 1.00 0.00 C ATOM 547 CD LYS A 92 -7.723 -3.739 -3.704 1.00 0.00 C ATOM 548 CE LYS A 92 -6.731 -2.594 -3.567 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.207 -2.476 -2.178 1.00 0.00 N ATOM 0 H LYS A 92 -4.676 -6.368 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.762 -4.155 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.440 -6.694 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.866 -5.239 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.276 -4.906 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.740 -5.779 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.426 -3.518 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.305 -3.830 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.901 -2.749 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.213 -1.660 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.504 -1.566 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.583 -3.253 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.168 -2.526 -2.193 1.00 0.00 H new ATOM 563 N MET A 93 -3.905 -7.042 -1.329 1.00 0.00 N ATOM 564 CA MET A 93 -3.339 -7.668 -0.140 1.00 0.00 C ATOM 565 C MET A 93 -2.071 -6.946 0.303 1.00 0.00 C ATOM 566 O MET A 93 -1.360 -6.341 -0.499 1.00 0.00 O ATOM 567 CB MET A 93 -3.033 -9.142 -0.410 1.00 0.00 C ATOM 568 CG MET A 93 -1.712 -9.367 -1.128 1.00 0.00 C ATOM 569 SD MET A 93 -1.408 -11.106 -1.495 1.00 0.00 S ATOM 570 CE MET A 93 -1.364 -11.798 0.157 1.00 0.00 C ATOM 0 H MET A 93 -3.975 -7.659 -2.138 1.00 0.00 H new ATOM 0 HA MET A 93 -4.074 -7.598 0.662 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.019 -9.681 0.537 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.839 -9.568 -1.007 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.706 -8.797 -2.057 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.899 -8.982 -0.513 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.801 -12.731 0.146 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.883 -11.092 0.834 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.381 -11.992 0.498 1.00 0.00 H new ATOM 580 N PRO A 94 -1.779 -7.008 1.611 1.00 0.00 N ATOM 581 CA PRO A 94 -0.595 -6.366 2.190 1.00 0.00 C ATOM 582 C PRO A 94 0.700 -7.051 1.768 1.00 0.00 C ATOM 583 O PRO A 94 0.702 -8.228 1.410 1.00 0.00 O ATOM 584 CB PRO A 94 -0.812 -6.515 3.698 1.00 0.00 C ATOM 585 CG PRO A 94 -1.692 -7.709 3.838 1.00 0.00 C ATOM 586 CD PRO A 94 -2.582 -7.712 2.625 1.00 0.00 C ATOM 0 HA PRO A 94 -0.490 -5.332 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.133 -6.656 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.281 -5.626 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.102 -8.624 3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.281 -7.655 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.828 -8.726 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.525 -7.200 2.817 1.00 0.00 H new ATOM 594 N GLU A 95 1.800 -6.305 1.813 1.00 0.00 N ATOM 595 CA GLU A 95 3.102 -6.842 1.435 1.00 0.00 C ATOM 596 C GLU A 95 3.655 -7.751 2.529 1.00 0.00 C ATOM 597 O GLU A 95 3.212 -7.700 3.677 1.00 0.00 O ATOM 598 CB GLU A 95 4.086 -5.704 1.156 1.00 0.00 C ATOM 599 CG GLU A 95 3.634 -4.766 0.050 1.00 0.00 C ATOM 600 CD GLU A 95 2.761 -3.637 0.563 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.071 -3.089 1.642 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.767 -3.301 -0.115 1.00 0.00 O ATOM 0 H GLU A 95 1.815 -5.328 2.107 1.00 0.00 H new ATOM 0 HA GLU A 95 2.973 -7.432 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.233 -5.130 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.053 -6.129 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.509 -4.347 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.084 -5.334 -0.700 1.00 0.00 H new ATOM 609 N CYS A 96 4.625 -8.583 2.165 1.00 0.00 N ATOM 610 CA CYS A 96 5.239 -9.504 3.113 1.00 0.00 C ATOM 611 C CYS A 96 5.733 -8.762 4.351 1.00 0.00 C ATOM 612 O CYS A 96 6.670 -7.967 4.278 1.00 0.00 O ATOM 613 CB CYS A 96 6.401 -10.249 2.453 1.00 0.00 C ATOM 614 SG CYS A 96 6.976 -11.705 3.385 1.00 0.00 S ATOM 0 H CYS A 96 5.003 -8.638 1.219 1.00 0.00 H new ATOM 0 HA CYS A 96 4.483 -10.225 3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.096 -10.567 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.235 -9.559 2.326 1.00 0.00 H new ATOM 619 N TYR A 97 5.096 -9.027 5.486 1.00 0.00 N ATOM 620 CA TYR A 97 5.469 -8.383 6.740 1.00 0.00 C ATOM 621 C TYR A 97 6.969 -8.501 6.988 1.00 0.00 C ATOM 622 O TYR A 97 7.606 -7.564 7.471 1.00 0.00 O ATOM 623 CB TYR A 97 4.698 -9.005 7.906 1.00 0.00 C ATOM 624 CG TYR A 97 5.441 -8.950 9.222 1.00 0.00 C ATOM 625 CD1 TYR A 97 5.989 -7.759 9.683 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.596 -10.088 10.003 1.00 0.00 C ATOM 627 CE1 TYR A 97 6.670 -7.704 10.884 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.274 -10.042 11.205 1.00 0.00 C ATOM 629 CZ TYR A 97 6.809 -8.848 11.642 1.00 0.00 C ATOM 630 OH TYR A 97 7.486 -8.798 12.839 1.00 0.00 O ATOM 0 H TYR A 97 4.319 -9.683 5.564 1.00 0.00 H new ATOM 0 HA TYR A 97 5.213 -7.326 6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.744 -8.490 8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.473 -10.045 7.668 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.881 -6.861 9.093 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.179 -11.025 9.664 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.091 -6.771 11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.385 -10.936 11.800 1.00 0.00 H new ATOM 0 HH TYR A 97 7.493 -9.688 13.248 1.00 0.00 H new ATOM 640 N PHE A 98 7.529 -9.659 6.653 1.00 0.00 N ATOM 641 CA PHE A 98 8.955 -9.901 6.839 1.00 0.00 C ATOM 642 C PHE A 98 9.781 -9.042 5.886 1.00 0.00 C ATOM 643 O PHE A 98 10.511 -8.148 6.313 1.00 0.00 O ATOM 644 CB PHE A 98 9.275 -11.381 6.618 1.00 0.00 C ATOM 645 CG PHE A 98 8.639 -12.289 7.630 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.176 -12.418 8.901 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.503 -13.016 7.311 1.00 0.00 C ATOM 648 CE1 PHE A 98 8.593 -13.253 9.835 1.00 0.00 C ATOM 649 CE2 PHE A 98 6.915 -13.852 8.241 1.00 0.00 C ATOM 650 CZ PHE A 98 7.461 -13.972 9.504 1.00 0.00 C ATOM 0 H PHE A 98 7.017 -10.444 6.251 1.00 0.00 H new ATOM 0 HA PHE A 98 9.215 -9.629 7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.943 -11.671 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.356 -11.519 6.646 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.061 -11.859 9.165 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.072 -12.928 6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.022 -13.343 10.822 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.029 -14.411 7.980 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.004 -14.627 10.231 1.00 0.00 H new ATOM 660 N TYR A 99 9.661 -9.321 4.593 1.00 0.00 N ATOM 661 CA TYR A 99 10.398 -8.577 3.579 1.00 0.00 C ATOM 662 C TYR A 99 10.060 -7.091 3.640 1.00 0.00 C ATOM 663 O TYR A 99 10.757 -6.260 3.058 1.00 0.00 O ATOM 664 CB TYR A 99 10.084 -9.126 2.185 1.00 0.00 C ATOM 665 CG TYR A 99 11.233 -8.996 1.211 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.393 -7.849 0.444 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.159 -10.021 1.058 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.441 -7.727 -0.448 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.211 -9.907 0.170 1.00 0.00 C ATOM 670 CZ TYR A 99 13.347 -8.758 -0.582 1.00 0.00 C ATOM 671 OH TYR A 99 14.393 -8.639 -1.468 1.00 0.00 O ATOM 0 H TYR A 99 9.060 -10.057 4.222 1.00 0.00 H new ATOM 0 HA TYR A 99 11.463 -8.697 3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.809 -10.177 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.217 -8.601 1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.686 -7.039 0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.054 -10.922 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.550 -6.829 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.923 -10.712 0.065 1.00 0.00 H new ATOM 0 HH TYR A 99 14.939 -9.452 -1.440 1.00 0.00 H new ATOM 681 N SER A 100 8.986 -6.764 4.351 1.00 0.00 N ATOM 682 CA SER A 100 8.553 -5.378 4.488 1.00 0.00 C ATOM 683 C SER A 100 9.217 -4.717 5.692 1.00 0.00 C ATOM 684 O SER A 100 9.562 -3.536 5.655 1.00 0.00 O ATOM 685 CB SER A 100 7.031 -5.309 4.629 1.00 0.00 C ATOM 686 OG SER A 100 6.620 -4.040 5.107 1.00 0.00 O ATOM 0 H SER A 100 8.400 -7.440 4.841 1.00 0.00 H new ATOM 0 HA SER A 100 8.853 -4.839 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.564 -5.506 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.690 -6.086 5.313 1.00 0.00 H new ATOM 0 HG SER A 100 5.643 -4.021 5.187 1.00 0.00 H new ATOM 692 N LYS A 101 9.393 -5.488 6.759 1.00 0.00 N ATOM 693 CA LYS A 101 10.017 -4.981 7.976 1.00 0.00 C ATOM 694 C LYS A 101 11.511 -5.288 7.990 1.00 0.00 C ATOM 695 O LYS A 101 12.342 -4.381 7.950 1.00 0.00 O ATOM 696 CB LYS A 101 9.349 -5.591 9.209 1.00 0.00 C ATOM 697 CG LYS A 101 9.516 -4.757 10.467 1.00 0.00 C ATOM 698 CD LYS A 101 10.881 -4.970 11.101 1.00 0.00 C ATOM 699 CE LYS A 101 10.827 -4.801 12.611 1.00 0.00 C ATOM 700 NZ LYS A 101 12.115 -5.176 13.258 1.00 0.00 N ATOM 0 H LYS A 101 9.112 -6.467 6.806 1.00 0.00 H new ATOM 0 HA LYS A 101 9.886 -3.899 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.286 -5.722 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.765 -6.583 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.387 -3.702 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.737 -5.017 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.244 -5.969 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.594 -4.261 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.588 -3.765 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.024 -5.416 13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.026 -5.079 14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.348 -6.161 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.871 -4.549 12.915 1.00 0.00 H new ATOM 714 N PHE A 102 11.846 -6.573 8.045 1.00 0.00 N ATOM 715 CA PHE A 102 13.240 -7.000 8.064 1.00 0.00 C ATOM 716 C PHE A 102 13.851 -6.925 6.667 1.00 0.00 C ATOM 717 O PHE A 102 15.024 -6.591 6.508 1.00 0.00 O ATOM 718 CB PHE A 102 13.352 -8.426 8.606 1.00 0.00 C ATOM 719 CG PHE A 102 12.605 -8.639 9.891 1.00 0.00 C ATOM 720 CD1 PHE A 102 13.188 -8.322 11.108 1.00 0.00 C ATOM 721 CD2 PHE A 102 11.320 -9.157 9.884 1.00 0.00 C ATOM 722 CE1 PHE A 102 12.503 -8.516 12.292 1.00 0.00 C ATOM 723 CE2 PHE A 102 10.630 -9.353 11.065 1.00 0.00 C ATOM 724 CZ PHE A 102 11.223 -9.034 12.271 1.00 0.00 C ATOM 0 H PHE A 102 11.171 -7.337 8.077 1.00 0.00 H new ATOM 0 HA PHE A 102 13.791 -6.326 8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.975 -9.122 7.856 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.404 -8.665 8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.190 -7.919 11.131 1.00 0.00 H new ATOM 0 HD2 PHE A 102 10.852 -9.411 8.944 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.968 -8.263 13.233 1.00 0.00 H new ATOM 0 HE2 PHE A 102 9.628 -9.755 11.045 1.00 0.00 H new ATOM 0 HZ PHE A 102 10.687 -9.189 13.196 1.00 0.00 H new ATOM 734 N GLY A 103 13.045 -7.240 5.658 1.00 0.00 N ATOM 735 CA GLY A 103 13.522 -7.204 4.288 1.00 0.00 C ATOM 736 C GLY A 103 14.315 -8.441 3.917 1.00 0.00 C ATOM 737 O GLY A 103 15.256 -8.370 3.127 1.00 0.00 O ATOM 0 H GLY A 103 12.070 -7.520 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.672 -7.105 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.145 -6.321 4.147 1.00 0.00 H new ATOM 741 N GLU A 104 13.936 -9.579 4.491 1.00 0.00 N ATOM 742 CA GLU A 104 14.622 -10.837 4.218 1.00 0.00 C ATOM 743 C GLU A 104 13.650 -12.012 4.286 1.00 0.00 C ATOM 744 O GLU A 104 13.142 -12.351 5.355 1.00 0.00 O ATOM 745 CB GLU A 104 15.764 -11.048 5.213 1.00 0.00 C ATOM 746 CG GLU A 104 16.668 -9.836 5.368 1.00 0.00 C ATOM 747 CD GLU A 104 17.659 -9.698 4.228 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.012 -10.731 3.621 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.080 -8.558 3.942 1.00 0.00 O ATOM 0 H GLU A 104 13.159 -9.656 5.147 1.00 0.00 H new ATOM 0 HA GLU A 104 15.034 -10.785 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.344 -11.305 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.364 -11.899 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.056 -8.936 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.211 -9.911 6.310 1.00 0.00 H new ATOM 756 N CYS A 105 13.396 -12.629 3.137 1.00 0.00 N ATOM 757 CA CYS A 105 12.485 -13.765 3.063 1.00 0.00 C ATOM 758 C CYS A 105 13.027 -14.837 2.122 1.00 0.00 C ATOM 759 O CYS A 105 13.187 -14.602 0.924 1.00 0.00 O ATOM 760 CB CYS A 105 11.103 -13.308 2.592 1.00 0.00 C ATOM 761 SG CYS A 105 9.744 -14.412 3.093 1.00 0.00 S ATOM 0 H CYS A 105 13.809 -12.361 2.244 1.00 0.00 H new ATOM 0 HA CYS A 105 12.397 -14.194 4.061 1.00 0.00 H new ATOM 0 HB2 CYS A 105 10.909 -12.310 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.110 -13.228 1.505 1.00 0.00 H new ATOM 766 N SER A 106 13.306 -16.014 2.673 1.00 0.00 N ATOM 767 CA SER A 106 13.833 -17.121 1.883 1.00 0.00 C ATOM 768 C SER A 106 12.702 -17.984 1.335 1.00 0.00 C ATOM 769 O SER A 106 12.780 -19.212 1.348 1.00 0.00 O ATOM 770 CB SER A 106 14.777 -17.976 2.732 1.00 0.00 C ATOM 771 OG SER A 106 14.068 -18.661 3.750 1.00 0.00 O ATOM 0 H SER A 106 13.176 -16.226 3.662 1.00 0.00 H new ATOM 0 HA SER A 106 14.388 -16.704 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.292 -18.696 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.542 -17.342 3.181 1.00 0.00 H new ATOM 0 HG SER A 106 14.693 -19.201 4.277 1.00 0.00 H new ATOM 777 N ASN A 107 11.649 -17.332 0.852 1.00 0.00 N ATOM 778 CA ASN A 107 10.499 -18.039 0.299 1.00 0.00 C ATOM 779 C ASN A 107 10.278 -17.657 -1.162 1.00 0.00 C ATOM 780 O ASN A 107 9.672 -16.628 -1.461 1.00 0.00 O ATOM 781 CB ASN A 107 9.243 -17.729 1.115 1.00 0.00 C ATOM 782 CG ASN A 107 9.106 -18.627 2.329 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.833 -18.476 3.311 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.171 -19.567 2.267 1.00 0.00 N ATOM 0 H ASN A 107 11.568 -16.315 0.832 1.00 0.00 H new ATOM 0 HA ASN A 107 10.702 -19.109 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.270 -16.688 1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.364 -17.843 0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.032 -20.201 3.054 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.591 -19.655 1.432 1.00 0.00 H new ATOM 791 N LYS A 108 10.772 -18.495 -2.067 1.00 0.00 N ATOM 792 CA LYS A 108 10.627 -18.248 -3.497 1.00 0.00 C ATOM 793 C LYS A 108 9.156 -18.227 -3.900 1.00 0.00 C ATOM 794 O LYS A 108 8.734 -17.394 -4.700 1.00 0.00 O ATOM 795 CB LYS A 108 11.371 -19.319 -4.298 1.00 0.00 C ATOM 796 CG LYS A 108 10.923 -20.736 -3.982 1.00 0.00 C ATOM 797 CD LYS A 108 12.043 -21.737 -4.206 1.00 0.00 C ATOM 798 CE LYS A 108 12.060 -22.244 -5.640 1.00 0.00 C ATOM 799 NZ LYS A 108 12.997 -23.388 -5.814 1.00 0.00 N ATOM 0 H LYS A 108 11.276 -19.351 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 108 11.059 -17.272 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.227 -19.130 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.439 -19.232 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.587 -20.790 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.070 -20.997 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.000 -21.271 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.923 -22.578 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.055 -22.551 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.349 -21.433 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.979 -23.704 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.961 -23.088 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.706 -24.172 -5.195 1.00 0.00 H new ATOM 813 N GLU A 109 8.380 -19.150 -3.338 1.00 0.00 N ATOM 814 CA GLU A 109 6.956 -19.235 -3.639 1.00 0.00 C ATOM 815 C GLU A 109 6.129 -18.537 -2.563 1.00 0.00 C ATOM 816 O GLU A 109 5.089 -19.040 -2.138 1.00 0.00 O ATOM 817 CB GLU A 109 6.525 -20.699 -3.759 1.00 0.00 C ATOM 818 CG GLU A 109 7.158 -21.425 -4.933 1.00 0.00 C ATOM 819 CD GLU A 109 7.289 -22.917 -4.694 1.00 0.00 C ATOM 820 OE1 GLU A 109 6.321 -23.651 -4.984 1.00 0.00 O ATOM 821 OE2 GLU A 109 8.359 -23.350 -4.217 1.00 0.00 O ATOM 0 H GLU A 109 8.714 -19.848 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 109 6.781 -18.732 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.783 -21.222 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.440 -20.743 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.558 -21.255 -5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.144 -21.004 -5.127 1.00 0.00 H new ATOM 828 N CYS A 110 6.601 -17.374 -2.125 1.00 0.00 N ATOM 829 CA CYS A 110 5.908 -16.605 -1.098 1.00 0.00 C ATOM 830 C CYS A 110 4.683 -15.902 -1.678 1.00 0.00 C ATOM 831 O CYS A 110 4.780 -15.097 -2.604 1.00 0.00 O ATOM 832 CB CYS A 110 6.854 -15.576 -0.477 1.00 0.00 C ATOM 833 SG CYS A 110 6.322 -14.968 1.156 1.00 0.00 S ATOM 0 H CYS A 110 7.461 -16.944 -2.466 1.00 0.00 H new ATOM 0 HA CYS A 110 5.575 -17.297 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.845 -16.020 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.948 -14.728 -1.156 1.00 0.00 H new ATOM 838 N PRO A 111 3.504 -16.214 -1.121 1.00 0.00 N ATOM 839 CA PRO A 111 2.238 -15.623 -1.566 1.00 0.00 C ATOM 840 C PRO A 111 2.129 -14.145 -1.206 1.00 0.00 C ATOM 841 O PRO A 111 1.089 -13.521 -1.412 1.00 0.00 O ATOM 842 CB PRO A 111 1.183 -16.436 -0.813 1.00 0.00 C ATOM 843 CG PRO A 111 1.887 -16.939 0.400 1.00 0.00 C ATOM 844 CD PRO A 111 3.314 -17.166 -0.014 1.00 0.00 C ATOM 0 HA PRO A 111 2.130 -15.659 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.325 -15.820 -0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.807 -17.258 -1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.827 -16.216 1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.433 -17.863 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.006 -16.972 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.480 -18.194 -0.335 1.00 0.00 H new ATOM 852 N PHE A 112 3.210 -13.592 -0.666 1.00 0.00 N ATOM 853 CA PHE A 112 3.236 -12.187 -0.276 1.00 0.00 C ATOM 854 C PHE A 112 4.105 -11.373 -1.231 1.00 0.00 C ATOM 855 O PHE A 112 4.928 -11.925 -1.962 1.00 0.00 O ATOM 856 CB PHE A 112 3.758 -12.042 1.155 1.00 0.00 C ATOM 857 CG PHE A 112 2.708 -12.281 2.202 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.604 -11.450 2.298 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.827 -13.336 3.093 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.636 -11.668 3.260 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.862 -13.559 4.057 1.00 0.00 C ATOM 862 CZ PHE A 112 0.766 -12.723 4.142 1.00 0.00 C ATOM 0 H PHE A 112 4.079 -14.095 -0.489 1.00 0.00 H new ATOM 0 HA PHE A 112 2.217 -11.804 -0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.578 -12.744 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.168 -11.040 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.498 -10.622 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.683 -13.991 3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.221 -11.014 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.965 -14.386 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.012 -12.894 4.896 1.00 0.00 H new ATOM 872 N LEU A 113 3.914 -10.059 -1.220 1.00 0.00 N ATOM 873 CA LEU A 113 4.680 -9.167 -2.085 1.00 0.00 C ATOM 874 C LEU A 113 6.089 -8.959 -1.541 1.00 0.00 C ATOM 875 O LEU A 113 6.276 -8.714 -0.348 1.00 0.00 O ATOM 876 CB LEU A 113 3.968 -7.820 -2.219 1.00 0.00 C ATOM 877 CG LEU A 113 2.587 -7.852 -2.874 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.503 -8.051 -1.825 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.341 -6.574 -3.663 1.00 0.00 C ATOM 0 H LEU A 113 3.236 -9.587 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 113 4.755 -9.630 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.866 -7.385 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.606 -7.150 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 113 2.553 -8.694 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.527 -8.071 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.669 -8.994 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.535 -7.230 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.353 -6.614 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.395 -5.716 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.099 -6.475 -4.440 1.00 0.00 H new ATOM 891 N HIS A 114 7.079 -9.055 -2.423 1.00 0.00 N ATOM 892 CA HIS A 114 8.472 -8.875 -2.032 1.00 0.00 C ATOM 893 C HIS A 114 9.054 -7.613 -2.663 1.00 0.00 C ATOM 894 O HIS A 114 9.526 -7.637 -3.800 1.00 0.00 O ATOM 895 CB HIS A 114 9.301 -10.093 -2.442 1.00 0.00 C ATOM 896 CG HIS A 114 9.375 -11.150 -1.384 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.953 -12.384 -1.593 1.00 0.00 N ATOM 898 CD2 HIS A 114 8.940 -11.152 -0.102 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.870 -13.100 -0.486 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.260 -12.375 0.434 1.00 0.00 N ATOM 0 H HIS A 114 6.942 -9.257 -3.413 1.00 0.00 H new ATOM 0 HA HIS A 114 8.509 -8.769 -0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.874 -10.525 -3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.311 -9.768 -2.691 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.378 -12.696 -2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.435 -10.343 0.405 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.238 -14.107 -0.356 1.00 0.00 H new ATOM 908 N ILE A 115 9.017 -6.514 -1.917 1.00 0.00 N ATOM 909 CA ILE A 115 9.540 -5.243 -2.404 1.00 0.00 C ATOM 910 C ILE A 115 10.922 -4.960 -1.823 1.00 0.00 C ATOM 911 O ILE A 115 11.151 -5.136 -0.626 1.00 0.00 O ATOM 912 CB ILE A 115 8.599 -4.076 -2.055 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.207 -4.321 -2.641 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.172 -2.762 -2.567 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.175 -3.312 -2.189 1.00 0.00 C ATOM 0 H ILE A 115 8.631 -6.478 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 115 9.614 -5.326 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 115 8.510 -4.013 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.271 -4.301 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.874 -5.320 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.495 -1.946 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 115 10.144 -2.585 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.288 -2.813 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.213 -3.547 -2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.082 -3.348 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.485 -2.313 -2.494 1.00 0.00 H new ATOM 927 N ASP A 116 11.837 -4.517 -2.678 1.00 0.00 N ATOM 928 CA ASP A 116 13.196 -4.206 -2.249 1.00 0.00 C ATOM 929 C ASP A 116 13.203 -3.030 -1.277 1.00 0.00 C ATOM 930 O ASP A 116 12.474 -2.051 -1.443 1.00 0.00 O ATOM 931 CB ASP A 116 14.075 -3.888 -3.460 1.00 0.00 C ATOM 932 CG ASP A 116 15.522 -4.285 -3.244 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.766 -5.433 -2.816 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.412 -3.448 -3.503 1.00 0.00 O ATOM 0 H ASP A 116 11.663 -4.365 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 116 13.598 -5.080 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.685 -4.408 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 116 14.022 -2.820 -3.674 1.00 0.00 H new ATOM 939 N PRO A 117 14.045 -3.126 -0.238 1.00 0.00 N ATOM 940 CA PRO A 117 14.166 -2.079 0.782 1.00 0.00 C ATOM 941 C PRO A 117 14.825 -0.815 0.239 1.00 0.00 C ATOM 942 O PRO A 117 15.036 0.149 0.973 1.00 0.00 O ATOM 943 CB PRO A 117 15.050 -2.726 1.851 1.00 0.00 C ATOM 944 CG PRO A 117 15.840 -3.755 1.118 1.00 0.00 C ATOM 945 CD PRO A 117 14.943 -4.263 0.023 1.00 0.00 C ATOM 0 HA PRO A 117 13.193 -1.756 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.701 -1.991 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.450 -3.177 2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.753 -3.326 0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 117 16.140 -4.564 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.511 -4.539 -0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.390 -5.149 0.335 1.00 0.00 H new ATOM 953 N GLU A 118 15.147 -0.828 -1.051 1.00 0.00 N ATOM 954 CA GLU A 118 15.782 0.318 -1.690 1.00 0.00 C ATOM 955 C GLU A 118 14.742 1.222 -2.345 1.00 0.00 C ATOM 956 O GLU A 118 14.950 2.427 -2.485 1.00 0.00 O ATOM 957 CB GLU A 118 16.797 -0.151 -2.735 1.00 0.00 C ATOM 958 CG GLU A 118 17.880 -1.054 -2.170 1.00 0.00 C ATOM 959 CD GLU A 118 19.179 -0.964 -2.946 1.00 0.00 C ATOM 960 OE1 GLU A 118 19.247 -1.526 -4.059 1.00 0.00 O ATOM 961 OE2 GLU A 118 20.129 -0.329 -2.441 1.00 0.00 O ATOM 0 H GLU A 118 14.979 -1.619 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 118 16.301 0.889 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 118 16.270 -0.682 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 118 17.265 0.721 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 118 18.064 -0.787 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.528 -2.086 -2.177 1.00 0.00 H new ATOM 968 N SER A 119 13.621 0.630 -2.746 1.00 0.00 N ATOM 969 CA SER A 119 12.549 1.379 -3.391 1.00 0.00 C ATOM 970 C SER A 119 11.680 2.085 -2.354 1.00 0.00 C ATOM 971 O SER A 119 11.177 3.184 -2.592 1.00 0.00 O ATOM 972 CB SER A 119 11.688 0.447 -4.244 1.00 0.00 C ATOM 973 OG SER A 119 11.121 1.139 -5.343 1.00 0.00 O ATOM 0 H SER A 119 13.432 -0.366 -2.635 1.00 0.00 H new ATOM 0 HA SER A 119 13.002 2.133 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.295 -0.383 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.895 0.018 -3.632 1.00 0.00 H new ATOM 0 HG SER A 119 10.577 0.520 -5.873 1.00 0.00 H new ATOM 979 N LYS A 120 11.508 1.446 -1.202 1.00 0.00 N ATOM 980 CA LYS A 120 10.702 2.011 -0.126 1.00 0.00 C ATOM 981 C LYS A 120 11.526 2.972 0.725 1.00 0.00 C ATOM 982 O LYS A 120 12.042 2.597 1.778 1.00 0.00 O ATOM 983 CB LYS A 120 10.133 0.895 0.753 1.00 0.00 C ATOM 984 CG LYS A 120 9.308 -0.123 -0.015 1.00 0.00 C ATOM 985 CD LYS A 120 9.130 -1.408 0.776 1.00 0.00 C ATOM 986 CE LYS A 120 8.283 -1.184 2.020 1.00 0.00 C ATOM 987 NZ LYS A 120 8.305 -2.365 2.926 1.00 0.00 N ATOM 0 H LYS A 120 11.916 0.536 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 120 9.879 2.566 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.955 0.382 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.514 1.338 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.331 0.300 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.794 -0.344 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.660 -2.163 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.106 -1.797 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.649 -0.308 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.255 -0.971 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.716 -2.173 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.932 -3.195 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 9.282 -2.553 3.227 1.00 0.00 H new ATOM 1001 N ILE A 121 11.644 4.212 0.262 1.00 0.00 N ATOM 1002 CA ILE A 121 12.403 5.226 0.982 1.00 0.00 C ATOM 1003 C ILE A 121 11.571 6.486 1.198 1.00 0.00 C ATOM 1004 O ILE A 121 10.797 6.888 0.330 1.00 0.00 O ATOM 1005 CB ILE A 121 13.695 5.601 0.232 1.00 0.00 C ATOM 1006 CG1 ILE A 121 14.446 4.339 -0.197 1.00 0.00 C ATOM 1007 CG2 ILE A 121 14.579 6.479 1.106 1.00 0.00 C ATOM 1008 CD1 ILE A 121 15.054 3.575 0.959 1.00 0.00 C ATOM 0 H ILE A 121 11.224 4.538 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 121 12.665 4.796 1.949 1.00 0.00 H new ATOM 0 HB ILE A 121 13.428 6.164 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.761 3.684 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 121 15.236 4.616 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 121 15.488 6.736 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 121 14.042 7.391 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 121 14.841 5.940 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.570 2.693 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.764 4.214 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 121 14.266 3.267 1.646 1.00 0.00 H new ATOM 1020 N LYS A 122 11.737 7.106 2.362 1.00 0.00 N ATOM 1021 CA LYS A 122 11.004 8.322 2.693 1.00 0.00 C ATOM 1022 C LYS A 122 11.958 9.495 2.890 1.00 0.00 C ATOM 1023 O LYS A 122 11.683 10.612 2.452 1.00 0.00 O ATOM 1024 CB LYS A 122 10.169 8.111 3.958 1.00 0.00 C ATOM 1025 CG LYS A 122 9.266 9.285 4.294 1.00 0.00 C ATOM 1026 CD LYS A 122 7.890 9.125 3.671 1.00 0.00 C ATOM 1027 CE LYS A 122 6.919 8.451 4.628 1.00 0.00 C ATOM 1028 NZ LYS A 122 7.065 6.970 4.616 1.00 0.00 N ATOM 0 H LYS A 122 12.373 6.786 3.092 1.00 0.00 H new ATOM 0 HA LYS A 122 10.339 8.553 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.558 7.217 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 122 10.838 7.926 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.169 9.372 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.722 10.209 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.502 10.103 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.970 8.536 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.087 8.824 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.898 8.717 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.230 6.535 5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.150 6.637 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.917 6.701 5.148 1.00 0.00 H new ATOM 1042 N ASP A 123 13.081 9.234 3.551 1.00 0.00 N ATOM 1043 CA ASP A 123 14.077 10.269 3.804 1.00 0.00 C ATOM 1044 C ASP A 123 14.387 11.048 2.530 1.00 0.00 C ATOM 1045 O ASP A 123 14.088 12.238 2.430 1.00 0.00 O ATOM 1046 CB ASP A 123 15.358 9.647 4.361 1.00 0.00 C ATOM 1047 CG ASP A 123 15.253 9.331 5.840 1.00 0.00 C ATOM 1048 OD1 ASP A 123 14.207 8.792 6.258 1.00 0.00 O ATOM 1049 OD2 ASP A 123 16.216 9.623 6.580 1.00 0.00 O ATOM 0 H ASP A 123 13.324 8.315 3.921 1.00 0.00 H new ATOM 0 HA ASP A 123 13.668 10.961 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 123 15.583 8.732 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 123 16.191 10.330 4.197 1.00 0.00 H new ATOM 1054 N CYS A 124 14.989 10.369 1.560 1.00 0.00 N ATOM 1055 CA CYS A 124 15.341 10.998 0.292 1.00 0.00 C ATOM 1056 C CYS A 124 14.155 11.764 -0.284 1.00 0.00 C ATOM 1057 O CYS A 124 13.006 11.567 0.113 1.00 0.00 O ATOM 1058 CB CYS A 124 15.818 9.945 -0.709 1.00 0.00 C ATOM 1059 SG CYS A 124 17.608 9.690 -0.716 1.00 0.00 S ATOM 0 H CYS A 124 15.243 9.384 1.627 1.00 0.00 H new ATOM 0 HA CYS A 124 16.150 11.704 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 124 15.328 8.998 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 124 15.500 10.240 -1.709 1.00 0.00 H new ATOM 0 HG CYS A 124 17.913 8.780 -1.593 1.00 0.00 H new ATOM 1065 N PRO A 125 14.436 12.660 -1.242 1.00 0.00 N ATOM 1066 CA PRO A 125 13.405 13.474 -1.892 1.00 0.00 C ATOM 1067 C PRO A 125 12.498 12.647 -2.796 1.00 0.00 C ATOM 1068 O PRO A 125 11.616 13.185 -3.465 1.00 0.00 O ATOM 1069 CB PRO A 125 14.214 14.476 -2.719 1.00 0.00 C ATOM 1070 CG PRO A 125 15.514 13.794 -2.976 1.00 0.00 C ATOM 1071 CD PRO A 125 15.783 12.946 -1.764 1.00 0.00 C ATOM 0 HA PRO A 125 12.736 13.939 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 125 13.705 14.722 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.358 15.411 -2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 125 15.462 13.182 -3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.312 14.520 -3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.316 12.031 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 125 16.394 13.474 -1.032 1.00 0.00 H new ATOM 1079 N TRP A 126 12.720 11.338 -2.811 1.00 0.00 N ATOM 1080 CA TRP A 126 11.921 10.436 -3.633 1.00 0.00 C ATOM 1081 C TRP A 126 10.762 9.853 -2.833 1.00 0.00 C ATOM 1082 O TRP A 126 10.954 8.970 -1.998 1.00 0.00 O ATOM 1083 CB TRP A 126 12.794 9.308 -4.186 1.00 0.00 C ATOM 1084 CG TRP A 126 14.187 9.746 -4.523 1.00 0.00 C ATOM 1085 CD1 TRP A 126 15.338 9.036 -4.334 1.00 0.00 C ATOM 1086 CD2 TRP A 126 14.576 10.995 -5.106 1.00 0.00 C ATOM 1087 NE1 TRP A 126 16.418 9.767 -4.765 1.00 0.00 N ATOM 1088 CE2 TRP A 126 15.977 10.973 -5.243 1.00 0.00 C ATOM 1089 CE3 TRP A 126 13.876 12.129 -5.526 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 16.689 12.041 -5.782 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 14.584 13.189 -6.061 1.00 0.00 C ATOM 1092 CH2 TRP A 126 15.979 13.139 -6.185 1.00 0.00 C ATOM 0 H TRP A 126 13.447 10.877 -2.263 1.00 0.00 H new ATOM 0 HA TRP A 126 11.511 11.010 -4.464 1.00 0.00 H new ATOM 0 HB2 TRP A 126 12.841 8.502 -3.453 1.00 0.00 H new ATOM 0 HB3 TRP A 126 12.323 8.899 -5.080 1.00 0.00 H new ATOM 0 HD1 TRP A 126 15.391 8.045 -3.908 1.00 0.00 H new ATOM 0 HE1 TRP A 126 17.391 9.462 -4.734 1.00 0.00 H new ATOM 0 HE3 TRP A 126 12.801 12.177 -5.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 17.764 12.004 -5.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 14.053 14.070 -6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 126 16.504 13.983 -6.607 1.00 0.00 H new ATOM 1103 N SER A 127 9.558 10.352 -3.094 1.00 0.00 N ATOM 1104 CA SER A 127 8.368 9.882 -2.395 1.00 0.00 C ATOM 1105 C SER A 127 7.264 9.519 -3.384 1.00 0.00 C ATOM 1106 O SER A 127 6.636 8.467 -3.271 1.00 0.00 O ATOM 1107 CB SER A 127 7.865 10.952 -1.423 1.00 0.00 C ATOM 1108 OG SER A 127 6.726 10.501 -0.712 1.00 0.00 O ATOM 0 H SER A 127 9.381 11.082 -3.784 1.00 0.00 H new ATOM 0 HA SER A 127 8.637 8.988 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.657 11.210 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.618 11.860 -1.973 1.00 0.00 H new ATOM 0 HG SER A 127 6.425 11.202 -0.097 1.00 0.00 H new ATOM 1114 N GLY A 128 7.035 10.398 -4.354 1.00 0.00 N ATOM 1115 CA GLY A 128 6.007 10.153 -5.349 1.00 0.00 C ATOM 1116 C GLY A 128 5.649 11.401 -6.132 1.00 0.00 C ATOM 1117 O GLY A 128 6.308 11.757 -7.109 1.00 0.00 O ATOM 0 H GLY A 128 7.543 11.275 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 128 6.349 9.381 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 128 5.114 9.768 -4.857 1.00 0.00 H new ATOM 1121 N PRO A 129 4.580 12.087 -5.702 1.00 0.00 N ATOM 1122 CA PRO A 129 4.110 13.312 -6.356 1.00 0.00 C ATOM 1123 C PRO A 129 5.066 14.482 -6.151 1.00 0.00 C ATOM 1124 O PRO A 129 4.839 15.578 -6.662 1.00 0.00 O ATOM 1125 CB PRO A 129 2.770 13.589 -5.669 1.00 0.00 C ATOM 1126 CG PRO A 129 2.886 12.935 -4.336 1.00 0.00 C ATOM 1127 CD PRO A 129 3.748 11.720 -4.544 1.00 0.00 C ATOM 0 HA PRO A 129 4.034 13.194 -7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.589 14.659 -5.570 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.939 13.177 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 129 3.334 13.611 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 129 1.905 12.656 -3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 129 4.355 11.503 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 129 3.149 10.832 -4.745 1.00 0.00 H new ATOM 1135 N SER A 130 6.136 14.241 -5.400 1.00 0.00 N ATOM 1136 CA SER A 130 7.125 15.277 -5.125 1.00 0.00 C ATOM 1137 C SER A 130 8.541 14.737 -5.306 1.00 0.00 C ATOM 1138 O SER A 130 9.430 15.013 -4.501 1.00 0.00 O ATOM 1139 CB SER A 130 6.950 15.814 -3.703 1.00 0.00 C ATOM 1140 OG SER A 130 5.706 16.475 -3.558 1.00 0.00 O ATOM 0 H SER A 130 6.340 13.338 -4.971 1.00 0.00 H new ATOM 0 HA SER A 130 6.971 16.090 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 130 7.014 14.992 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.761 16.503 -3.469 1.00 0.00 H new ATOM 0 HG SER A 130 5.617 16.808 -2.640 1.00 0.00 H new ATOM 1146 N SER A 131 8.742 13.967 -6.371 1.00 0.00 N ATOM 1147 CA SER A 131 10.048 13.385 -6.657 1.00 0.00 C ATOM 1148 C SER A 131 10.833 14.263 -7.627 1.00 0.00 C ATOM 1149 O SER A 131 10.832 14.029 -8.834 1.00 0.00 O ATOM 1150 CB SER A 131 9.887 11.979 -7.240 1.00 0.00 C ATOM 1151 OG SER A 131 11.029 11.184 -6.977 1.00 0.00 O ATOM 0 H SER A 131 8.018 13.732 -7.049 1.00 0.00 H new ATOM 0 HA SER A 131 10.603 13.321 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.003 11.504 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 131 9.726 12.044 -8.316 1.00 0.00 H new ATOM 0 HG SER A 131 10.900 10.290 -7.358 1.00 0.00 H new ATOM 1157 N GLY A 132 11.504 15.276 -7.087 1.00 0.00 N ATOM 1158 CA GLY A 132 12.285 16.175 -7.917 1.00 0.00 C ATOM 1159 C GLY A 132 12.915 17.299 -7.120 1.00 0.00 C ATOM 1160 O GLY A 132 13.905 17.062 -6.429 1.00 0.00 O ATOM 0 H GLY A 132 11.521 15.490 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.068 15.610 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.645 16.597 -8.692 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.773 -10.253 7.574 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 7.871 -13.414 2.032 1.00 0.00 ZN