USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 73 CYS SG : rot 100:sc= 0.855 USER MOD Set 1.2: A 80 SER OG : rot 105:sc= -1.21 USER MOD Set 2.1: A 55 HIS : no HD1:sc= -4.67! C(o=-5.4!,f=-6.2!) USER MOD Set 2.2: A 60 THR OG1 : rot 103:sc= -0.727 USER MOD Single : A 47 TYR OH : rot -27:sc= 1.23 USER MOD Single : A 48 SER OG : rot 176:sc= 1.02 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 75:sc= 1 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= -0.249 (180deg=-1.26!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -71:sc= 0.997 USER MOD Single : A 68 MET CE :methyl -147:sc= -1.34 (180deg=-2.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -148:sc= -1.39 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0764) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= -0.22 (180deg=-0.825) USER MOD Single : A 85 GLN : amide:sc=-0.00932 K(o=-0.0093,f=-0.97) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -160:sc= -0.0195 (180deg=-0.158) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -0.639 F(o=-1.5,f=-0.64) USER MOD Single : A 96 GLN : amide:sc= -2.42 K(o=-2.4,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.121 4.697 6.308 1.00 0.00 N ATOM 55 CA TYR A 47 -3.915 3.376 5.724 1.00 0.00 C ATOM 56 C TYR A 47 -3.736 2.325 6.813 1.00 0.00 C ATOM 57 O TYR A 47 -2.631 1.837 7.050 1.00 0.00 O ATOM 58 CB TYR A 47 -2.694 3.389 4.804 1.00 0.00 C ATOM 59 CG TYR A 47 -2.828 4.338 3.634 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.761 4.108 2.630 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.022 5.464 3.534 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.886 4.974 1.561 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.141 6.335 2.468 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.074 6.086 1.484 1.00 0.00 C ATOM 65 OH TYR A 47 -3.196 6.951 0.421 1.00 0.00 O ATOM 0 HA TYR A 47 -4.798 3.120 5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.814 3.664 5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.524 2.381 4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.399 3.238 2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.290 5.662 4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.616 4.781 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.506 7.207 2.406 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.541 6.466 -0.358 1.00 0.00 H new ATOM 75 N SER A 48 -4.837 1.980 7.468 1.00 0.00 N ATOM 76 CA SER A 48 -4.818 0.984 8.532 1.00 0.00 C ATOM 77 C SER A 48 -4.665 -0.413 7.950 1.00 0.00 C ATOM 78 O SER A 48 -3.754 -1.156 8.314 1.00 0.00 O ATOM 79 CB SER A 48 -6.101 1.066 9.361 1.00 0.00 C ATOM 80 OG SER A 48 -7.249 0.989 8.534 1.00 0.00 O ATOM 0 H SER A 48 -5.758 2.377 7.280 1.00 0.00 H new ATOM 0 HA SER A 48 -3.966 1.190 9.180 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.119 0.256 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.116 2.000 9.923 1.00 0.00 H new ATOM 0 HG SER A 48 -8.054 0.982 9.092 1.00 0.00 H new ATOM 86 N GLU A 49 -5.572 -0.752 7.040 1.00 0.00 N ATOM 87 CA GLU A 49 -5.581 -2.047 6.380 1.00 0.00 C ATOM 88 C GLU A 49 -6.867 -2.219 5.581 1.00 0.00 C ATOM 89 O GLU A 49 -6.853 -2.738 4.467 1.00 0.00 O ATOM 90 CB GLU A 49 -5.460 -3.180 7.399 1.00 0.00 C ATOM 91 CG GLU A 49 -6.676 -3.328 8.300 1.00 0.00 C ATOM 92 CD GLU A 49 -6.360 -4.056 9.592 1.00 0.00 C ATOM 93 OE1 GLU A 49 -5.565 -5.019 9.552 1.00 0.00 O ATOM 94 OE2 GLU A 49 -6.908 -3.664 10.644 1.00 0.00 O ATOM 0 H GLU A 49 -6.324 -0.131 6.740 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.725 -2.089 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.297 -4.118 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.580 -3.007 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.074 -2.340 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.457 -3.868 7.765 1.00 0.00 H new ATOM 101 N GLU A 50 -7.979 -1.777 6.161 1.00 0.00 N ATOM 102 CA GLU A 50 -9.277 -1.878 5.504 1.00 0.00 C ATOM 103 C GLU A 50 -9.250 -1.206 4.139 1.00 0.00 C ATOM 104 O GLU A 50 -9.562 -1.832 3.126 1.00 0.00 O ATOM 105 CB GLU A 50 -10.367 -1.252 6.377 1.00 0.00 C ATOM 106 CG GLU A 50 -10.009 0.130 6.905 1.00 0.00 C ATOM 107 CD GLU A 50 -10.462 0.341 8.336 1.00 0.00 C ATOM 108 OE1 GLU A 50 -11.687 0.322 8.580 1.00 0.00 O ATOM 109 OE2 GLU A 50 -9.593 0.524 9.214 1.00 0.00 O ATOM 0 H GLU A 50 -8.007 -1.345 7.085 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.502 -2.935 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.288 -1.183 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.569 -1.912 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.930 0.270 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.465 0.888 6.268 1.00 0.00 H new ATOM 116 N GLU A 51 -8.862 0.064 4.110 1.00 0.00 N ATOM 117 CA GLU A 51 -8.783 0.794 2.856 1.00 0.00 C ATOM 118 C GLU A 51 -7.799 0.096 1.933 1.00 0.00 C ATOM 119 O GLU A 51 -8.050 -0.064 0.739 1.00 0.00 O ATOM 120 CB GLU A 51 -8.349 2.243 3.102 1.00 0.00 C ATOM 121 CG GLU A 51 -9.249 3.270 2.434 1.00 0.00 C ATOM 122 CD GLU A 51 -8.695 4.679 2.528 1.00 0.00 C ATOM 123 OE1 GLU A 51 -7.508 4.873 2.189 1.00 0.00 O ATOM 124 OE2 GLU A 51 -9.446 5.587 2.940 1.00 0.00 O ATOM 0 H GLU A 51 -8.600 0.604 4.935 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.768 0.812 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.332 2.431 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.330 2.375 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.381 3.005 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.235 3.240 2.897 1.00 0.00 H new ATOM 131 N LEU A 52 -6.686 -0.344 2.510 1.00 0.00 N ATOM 132 CA LEU A 52 -5.665 -1.056 1.760 1.00 0.00 C ATOM 133 C LEU A 52 -6.256 -2.307 1.124 1.00 0.00 C ATOM 134 O LEU A 52 -6.151 -2.509 -0.085 1.00 0.00 O ATOM 135 CB LEU A 52 -4.502 -1.431 2.676 1.00 0.00 C ATOM 136 CG LEU A 52 -3.881 -0.258 3.433 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.972 -0.758 4.546 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.112 0.639 2.473 1.00 0.00 C ATOM 0 H LEU A 52 -6.470 -0.218 3.499 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.293 -0.403 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.850 -2.169 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.727 -1.911 2.079 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.682 0.325 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.540 0.093 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.551 -1.362 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.173 -1.364 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.674 1.471 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.319 0.064 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.791 1.025 1.713 1.00 0.00 H new ATOM 150 N LYS A 53 -6.896 -3.140 1.947 1.00 0.00 N ATOM 151 CA LYS A 53 -7.521 -4.361 1.455 1.00 0.00 C ATOM 152 C LYS A 53 -8.460 -4.034 0.303 1.00 0.00 C ATOM 153 O LYS A 53 -8.417 -4.668 -0.751 1.00 0.00 O ATOM 154 CB LYS A 53 -8.285 -5.063 2.580 1.00 0.00 C ATOM 155 CG LYS A 53 -7.552 -6.266 3.149 1.00 0.00 C ATOM 156 CD LYS A 53 -7.867 -7.531 2.371 1.00 0.00 C ATOM 157 CE LYS A 53 -7.689 -8.775 3.227 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.684 -9.830 2.886 1.00 0.00 N ATOM 0 H LYS A 53 -6.993 -2.989 2.951 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.742 -5.034 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.473 -4.349 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.257 -5.383 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.478 -6.082 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.831 -6.402 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.892 -7.486 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.217 -7.593 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.682 -9.168 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.788 -8.509 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.530 -10.662 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.645 -9.464 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.573 -10.102 1.888 1.00 0.00 H new ATOM 172 N THR A 54 -9.292 -3.017 0.509 1.00 0.00 N ATOM 173 CA THR A 54 -10.226 -2.578 -0.518 1.00 0.00 C ATOM 174 C THR A 54 -9.459 -2.178 -1.768 1.00 0.00 C ATOM 175 O THR A 54 -9.819 -2.554 -2.883 1.00 0.00 O ATOM 176 CB THR A 54 -11.065 -1.404 -0.013 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.557 -1.662 1.290 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.250 -1.091 -0.899 1.00 0.00 C ATOM 0 H THR A 54 -9.337 -2.483 1.377 1.00 0.00 H new ATOM 0 HA THR A 54 -10.899 -3.401 -0.759 1.00 0.00 H new ATOM 0 HB THR A 54 -10.393 -0.546 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.831 -1.559 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.802 -0.248 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.899 -0.837 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.904 -1.962 -0.954 1.00 0.00 H new ATOM 186 N HIS A 55 -8.381 -1.428 -1.562 1.00 0.00 N ATOM 187 CA HIS A 55 -7.534 -0.989 -2.659 1.00 0.00 C ATOM 188 C HIS A 55 -6.983 -2.200 -3.403 1.00 0.00 C ATOM 189 O HIS A 55 -7.088 -2.295 -4.625 1.00 0.00 O ATOM 190 CB HIS A 55 -6.386 -0.128 -2.130 1.00 0.00 C ATOM 191 CG HIS A 55 -6.841 1.073 -1.361 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.027 1.728 -1.620 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.262 1.739 -0.334 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.157 2.744 -0.786 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.101 2.773 0.004 1.00 0.00 N ATOM 0 H HIS A 55 -8.075 -1.112 -0.642 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.129 -0.389 -3.348 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.750 -0.739 -1.490 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.772 0.200 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.317 1.502 0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.987 3.434 -0.756 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.934 3.453 0.746 1.00 0.00 H new ATOM 204 N ILE A 56 -6.406 -3.132 -2.647 1.00 0.00 N ATOM 205 CA ILE A 56 -5.850 -4.351 -3.225 1.00 0.00 C ATOM 206 C ILE A 56 -6.912 -5.117 -4.012 1.00 0.00 C ATOM 207 O ILE A 56 -6.667 -5.565 -5.131 1.00 0.00 O ATOM 208 CB ILE A 56 -5.250 -5.274 -2.142 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.180 -4.529 -1.343 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.665 -6.533 -2.772 1.00 0.00 C ATOM 211 CD1 ILE A 56 -3.893 -5.147 0.008 1.00 0.00 C ATOM 0 H ILE A 56 -6.312 -3.065 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.052 -4.045 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.048 -5.572 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.258 -4.501 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.498 -3.496 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.247 -7.170 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.450 -7.074 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.879 -6.257 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.125 -4.566 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.803 -5.150 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.544 -6.171 -0.127 1.00 0.00 H new ATOM 223 N SER A 57 -8.091 -5.266 -3.412 1.00 0.00 N ATOM 224 CA SER A 57 -9.194 -5.984 -4.047 1.00 0.00 C ATOM 225 C SER A 57 -9.478 -5.448 -5.448 1.00 0.00 C ATOM 226 O SER A 57 -9.159 -6.094 -6.446 1.00 0.00 O ATOM 227 CB SER A 57 -10.455 -5.883 -3.187 1.00 0.00 C ATOM 228 OG SER A 57 -10.542 -6.969 -2.280 1.00 0.00 O ATOM 0 H SER A 57 -8.307 -4.898 -2.485 1.00 0.00 H new ATOM 0 HA SER A 57 -8.900 -7.030 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.448 -4.943 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.336 -5.869 -3.828 1.00 0.00 H new ATOM 0 HG SER A 57 -11.355 -6.880 -1.741 1.00 0.00 H new ATOM 234 N LYS A 58 -10.086 -4.269 -5.514 1.00 0.00 N ATOM 235 CA LYS A 58 -10.421 -3.652 -6.793 1.00 0.00 C ATOM 236 C LYS A 58 -9.164 -3.383 -7.615 1.00 0.00 C ATOM 237 O LYS A 58 -8.936 -4.020 -8.644 1.00 0.00 O ATOM 238 CB LYS A 58 -11.188 -2.347 -6.569 1.00 0.00 C ATOM 239 CG LYS A 58 -12.406 -2.504 -5.673 1.00 0.00 C ATOM 240 CD LYS A 58 -12.765 -1.196 -4.982 1.00 0.00 C ATOM 241 CE LYS A 58 -14.138 -0.698 -5.404 1.00 0.00 C ATOM 242 NZ LYS A 58 -15.177 -1.757 -5.275 1.00 0.00 N ATOM 0 H LYS A 58 -10.357 -3.721 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.053 -4.346 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.516 -1.611 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.505 -1.952 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.253 -2.847 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.211 -3.271 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.745 -1.337 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.015 -0.441 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.417 0.160 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.097 -0.353 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.082 -1.324 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.288 -2.247 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.887 -2.441 -4.547 1.00 0.00 H new ATOM 256 N GLY A 59 -8.354 -2.437 -7.156 1.00 0.00 N ATOM 257 CA GLY A 59 -7.130 -2.103 -7.862 1.00 0.00 C ATOM 258 C GLY A 59 -6.815 -0.620 -7.816 1.00 0.00 C ATOM 259 O GLY A 59 -6.320 -0.055 -8.791 1.00 0.00 O ATOM 0 H GLY A 59 -8.522 -1.895 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.301 -2.660 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.217 -2.420 -8.901 1.00 0.00 H new ATOM 263 N THR A 60 -7.098 0.010 -6.681 1.00 0.00 N ATOM 264 CA THR A 60 -6.837 1.435 -6.510 1.00 0.00 C ATOM 265 C THR A 60 -5.556 1.665 -5.713 1.00 0.00 C ATOM 266 O THR A 60 -5.031 2.778 -5.680 1.00 0.00 O ATOM 267 CB THR A 60 -8.016 2.112 -5.809 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.410 1.375 -4.665 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.232 2.267 -6.696 1.00 0.00 C ATOM 0 H THR A 60 -7.508 -0.444 -5.865 1.00 0.00 H new ATOM 0 HA THR A 60 -6.711 1.875 -7.499 1.00 0.00 H new ATOM 0 HB THR A 60 -7.657 3.104 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.072 1.817 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.031 2.754 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.974 2.874 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.568 1.285 -7.027 1.00 0.00 H new ATOM 277 N LEU A 61 -5.052 0.610 -5.075 1.00 0.00 N ATOM 278 CA LEU A 61 -3.831 0.714 -4.288 1.00 0.00 C ATOM 279 C LEU A 61 -2.676 1.182 -5.166 1.00 0.00 C ATOM 280 O LEU A 61 -1.774 1.883 -4.707 1.00 0.00 O ATOM 281 CB LEU A 61 -3.487 -0.631 -3.644 1.00 0.00 C ATOM 282 CG LEU A 61 -2.489 -0.556 -2.486 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.961 0.439 -1.436 1.00 0.00 C ATOM 284 CD2 LEU A 61 -2.285 -1.931 -1.870 1.00 0.00 C ATOM 0 H LEU A 61 -5.470 -0.320 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.995 1.446 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.407 -1.090 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.082 -1.291 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.532 -0.210 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.238 0.478 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.054 1.427 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.930 0.125 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.572 -1.859 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.237 -2.306 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.899 -2.615 -2.626 1.00 0.00 H new ATOM 296 N GLY A 62 -2.720 0.793 -6.438 1.00 0.00 N ATOM 297 CA GLY A 62 -1.681 1.182 -7.373 1.00 0.00 C ATOM 298 C GLY A 62 -1.864 2.594 -7.899 1.00 0.00 C ATOM 299 O GLY A 62 -1.128 3.033 -8.782 1.00 0.00 O ATOM 0 H GLY A 62 -3.459 0.214 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.710 1.104 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.673 0.485 -8.211 1.00 0.00 H new ATOM 303 N LYS A 63 -2.845 3.312 -7.354 1.00 0.00 N ATOM 304 CA LYS A 63 -3.111 4.679 -7.773 1.00 0.00 C ATOM 305 C LYS A 63 -2.290 5.659 -6.942 1.00 0.00 C ATOM 306 O LYS A 63 -1.606 6.528 -7.482 1.00 0.00 O ATOM 307 CB LYS A 63 -4.603 4.995 -7.635 1.00 0.00 C ATOM 308 CG LYS A 63 -5.166 5.791 -8.802 1.00 0.00 C ATOM 309 CD LYS A 63 -6.566 5.325 -9.173 1.00 0.00 C ATOM 310 CE LYS A 63 -6.756 5.278 -10.681 1.00 0.00 C ATOM 311 NZ LYS A 63 -7.014 6.629 -11.250 1.00 0.00 N ATOM 0 H LYS A 63 -3.466 2.966 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.824 4.782 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.157 4.061 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.764 5.554 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.191 6.850 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.507 5.689 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.745 4.336 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.303 5.997 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.867 4.852 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.589 4.618 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.138 6.554 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.877 7.026 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.208 7.253 -11.043 1.00 0.00 H new ATOM 325 N PHE A 64 -2.359 5.504 -5.622 1.00 0.00 N ATOM 326 CA PHE A 64 -1.619 6.366 -4.704 1.00 0.00 C ATOM 327 C PHE A 64 -0.153 6.486 -5.114 1.00 0.00 C ATOM 328 O PHE A 64 0.422 5.556 -5.680 1.00 0.00 O ATOM 329 CB PHE A 64 -1.712 5.827 -3.275 1.00 0.00 C ATOM 330 CG PHE A 64 -3.107 5.450 -2.864 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.018 6.423 -2.485 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.507 4.123 -2.855 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.302 6.079 -2.105 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.789 3.774 -2.476 1.00 0.00 C ATOM 335 CZ PHE A 64 -5.688 4.753 -2.101 1.00 0.00 C ATOM 0 H PHE A 64 -2.921 4.787 -5.163 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.070 7.358 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.066 4.954 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.330 6.580 -2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.722 7.462 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.809 3.353 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.003 6.847 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.088 2.736 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.691 4.482 -1.805 1.00 0.00 H new ATOM 345 N THR A 65 0.444 7.634 -4.817 1.00 0.00 N ATOM 346 CA THR A 65 1.844 7.880 -5.143 1.00 0.00 C ATOM 347 C THR A 65 2.761 7.096 -4.207 1.00 0.00 C ATOM 348 O THR A 65 2.328 6.155 -3.542 1.00 0.00 O ATOM 349 CB THR A 65 2.145 9.378 -5.053 1.00 0.00 C ATOM 350 OG1 THR A 65 2.103 9.819 -3.707 1.00 0.00 O ATOM 351 CG2 THR A 65 1.177 10.231 -5.844 1.00 0.00 C ATOM 0 H THR A 65 -0.021 8.412 -4.349 1.00 0.00 H new ATOM 0 HA THR A 65 2.029 7.542 -6.163 1.00 0.00 H new ATOM 0 HB THR A 65 3.142 9.498 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.175 9.824 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.447 11.282 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.221 9.950 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.165 10.076 -5.469 1.00 0.00 H new ATOM 359 N VAL A 66 4.028 7.491 -4.159 1.00 0.00 N ATOM 360 CA VAL A 66 5.007 6.831 -3.306 1.00 0.00 C ATOM 361 C VAL A 66 4.813 7.232 -1.841 1.00 0.00 C ATOM 362 O VAL A 66 4.571 6.376 -0.991 1.00 0.00 O ATOM 363 CB VAL A 66 6.445 7.166 -3.760 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.463 6.827 -2.679 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.774 6.435 -5.052 1.00 0.00 C ATOM 0 H VAL A 66 4.402 8.268 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 66 4.855 5.755 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 66 6.499 8.240 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.464 7.075 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.243 7.401 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.412 5.762 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.790 6.680 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.693 5.360 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.075 6.740 -5.831 1.00 0.00 H new ATOM 375 N PRO A 67 4.905 8.538 -1.517 1.00 0.00 N ATOM 376 CA PRO A 67 4.725 9.018 -0.145 1.00 0.00 C ATOM 377 C PRO A 67 3.482 8.422 0.507 1.00 0.00 C ATOM 378 O PRO A 67 3.434 8.233 1.722 1.00 0.00 O ATOM 379 CB PRO A 67 4.584 10.543 -0.295 1.00 0.00 C ATOM 380 CG PRO A 67 4.499 10.803 -1.765 1.00 0.00 C ATOM 381 CD PRO A 67 5.179 9.647 -2.439 1.00 0.00 C ATOM 0 HA PRO A 67 5.556 8.729 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.693 10.905 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.437 11.059 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.460 10.884 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.986 11.744 -2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.772 9.459 -3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.248 9.819 -2.560 1.00 0.00 H new ATOM 389 N MET A 68 2.483 8.112 -0.315 1.00 0.00 N ATOM 390 CA MET A 68 1.245 7.519 0.176 1.00 0.00 C ATOM 391 C MET A 68 1.443 6.026 0.412 1.00 0.00 C ATOM 392 O MET A 68 1.041 5.488 1.444 1.00 0.00 O ATOM 393 CB MET A 68 0.108 7.749 -0.822 1.00 0.00 C ATOM 394 CG MET A 68 -0.595 9.086 -0.646 1.00 0.00 C ATOM 395 SD MET A 68 -0.561 10.097 -2.140 1.00 0.00 S ATOM 396 CE MET A 68 -2.053 9.542 -2.960 1.00 0.00 C ATOM 0 H MET A 68 2.508 8.262 -1.324 1.00 0.00 H new ATOM 0 HA MET A 68 0.978 7.996 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.507 7.688 -1.835 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.623 6.947 -0.718 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.631 8.911 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.123 9.635 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.908 9.574 -4.040 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.277 8.520 -2.654 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.883 10.193 -2.685 1.00 0.00 H new ATOM 406 N LEU A 69 2.085 5.369 -0.549 1.00 0.00 N ATOM 407 CA LEU A 69 2.365 3.942 -0.452 1.00 0.00 C ATOM 408 C LEU A 69 3.251 3.663 0.753 1.00 0.00 C ATOM 409 O LEU A 69 2.959 2.783 1.563 1.00 0.00 O ATOM 410 CB LEU A 69 3.041 3.456 -1.732 1.00 0.00 C ATOM 411 CG LEU A 69 2.090 3.155 -2.892 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.836 3.178 -4.218 1.00 0.00 C ATOM 413 CD2 LEU A 69 1.404 1.813 -2.685 1.00 0.00 C ATOM 0 H LEU A 69 2.422 5.805 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 69 1.426 3.404 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.757 4.211 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.609 2.554 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 69 1.325 3.931 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.142 2.962 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.277 4.163 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.625 2.426 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.731 1.616 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.155 1.025 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.833 1.835 -1.757 1.00 0.00 H new ATOM 425 N LYS A 70 4.329 4.432 0.874 1.00 0.00 N ATOM 426 CA LYS A 70 5.252 4.285 1.993 1.00 0.00 C ATOM 427 C LYS A 70 4.494 4.342 3.315 1.00 0.00 C ATOM 428 O LYS A 70 4.853 3.670 4.281 1.00 0.00 O ATOM 429 CB LYS A 70 6.315 5.384 1.951 1.00 0.00 C ATOM 430 CG LYS A 70 7.081 5.443 0.640 1.00 0.00 C ATOM 431 CD LYS A 70 8.159 4.375 0.578 1.00 0.00 C ATOM 432 CE LYS A 70 9.420 4.820 1.298 1.00 0.00 C ATOM 433 NZ LYS A 70 10.341 3.680 1.564 1.00 0.00 N ATOM 0 H LYS A 70 4.584 5.163 0.210 1.00 0.00 H new ATOM 0 HA LYS A 70 5.744 3.316 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.836 6.347 2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.020 5.226 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.390 5.313 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.535 6.427 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.787 3.454 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.392 4.151 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.935 5.570 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.151 5.296 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.189 4.026 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.859 2.976 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.619 3.241 0.663 1.00 0.00 H new ATOM 447 N GLU A 71 3.438 5.151 3.340 1.00 0.00 N ATOM 448 CA GLU A 71 2.614 5.306 4.532 1.00 0.00 C ATOM 449 C GLU A 71 2.076 3.958 4.999 1.00 0.00 C ATOM 450 O GLU A 71 2.292 3.557 6.142 1.00 0.00 O ATOM 451 CB GLU A 71 1.454 6.263 4.253 1.00 0.00 C ATOM 452 CG GLU A 71 0.959 6.995 5.489 1.00 0.00 C ATOM 453 CD GLU A 71 0.591 6.052 6.617 1.00 0.00 C ATOM 454 OE1 GLU A 71 -0.189 5.108 6.372 1.00 0.00 O ATOM 455 OE2 GLU A 71 1.084 6.258 7.747 1.00 0.00 O ATOM 0 H GLU A 71 3.133 5.711 2.544 1.00 0.00 H new ATOM 0 HA GLU A 71 3.237 5.722 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.769 6.995 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.627 5.701 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.731 7.683 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.090 7.598 5.226 1.00 0.00 H new ATOM 462 N ALA A 72 1.384 3.255 4.104 1.00 0.00 N ATOM 463 CA ALA A 72 0.832 1.947 4.433 1.00 0.00 C ATOM 464 C ALA A 72 1.939 1.004 4.882 1.00 0.00 C ATOM 465 O ALA A 72 1.808 0.306 5.887 1.00 0.00 O ATOM 466 CB ALA A 72 0.091 1.370 3.238 1.00 0.00 C ATOM 0 H ALA A 72 1.194 3.569 3.152 1.00 0.00 H new ATOM 0 HA ALA A 72 0.124 2.063 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.316 0.393 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.723 2.038 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.779 1.264 2.399 1.00 0.00 H new ATOM 472 N CYS A 73 3.038 1.003 4.135 1.00 0.00 N ATOM 473 CA CYS A 73 4.181 0.163 4.460 1.00 0.00 C ATOM 474 C CYS A 73 4.728 0.526 5.836 1.00 0.00 C ATOM 475 O CYS A 73 5.049 -0.349 6.640 1.00 0.00 O ATOM 476 CB CYS A 73 5.273 0.320 3.401 1.00 0.00 C ATOM 477 SG CYS A 73 4.796 -0.268 1.760 1.00 0.00 S ATOM 0 H CYS A 73 3.160 1.576 3.300 1.00 0.00 H new ATOM 0 HA CYS A 73 3.855 -0.877 4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.550 1.372 3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.161 -0.222 3.726 1.00 0.00 H new ATOM 0 HG CYS A 73 4.450 0.744 1.020 1.00 0.00 H new ATOM 483 N ARG A 74 4.822 1.826 6.101 1.00 0.00 N ATOM 484 CA ARG A 74 5.319 2.314 7.383 1.00 0.00 C ATOM 485 C ARG A 74 4.405 1.865 8.517 1.00 0.00 C ATOM 486 O ARG A 74 4.864 1.575 9.622 1.00 0.00 O ATOM 487 CB ARG A 74 5.419 3.841 7.369 1.00 0.00 C ATOM 488 CG ARG A 74 6.570 4.383 8.204 1.00 0.00 C ATOM 489 CD ARG A 74 6.105 5.457 9.177 1.00 0.00 C ATOM 490 NE ARG A 74 6.869 6.694 9.034 1.00 0.00 N ATOM 491 CZ ARG A 74 6.647 7.596 8.081 1.00 0.00 C ATOM 492 NH1 ARG A 74 5.690 7.401 7.183 1.00 0.00 N ATOM 493 NH2 ARG A 74 7.385 8.697 8.026 1.00 0.00 N ATOM 0 H ARG A 74 4.560 2.561 5.444 1.00 0.00 H new ATOM 0 HA ARG A 74 6.312 1.895 7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.537 4.180 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.484 4.262 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.033 3.567 8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.334 4.795 7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.048 5.663 9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.201 5.087 10.198 1.00 0.00 H new ATOM 0 HE ARG A 74 7.616 6.877 9.704 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.120 6.556 7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.525 8.096 6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.122 8.852 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.215 9.389 7.296 1.00 0.00 H new ATOM 507 N ALA A 75 3.107 1.808 8.233 1.00 0.00 N ATOM 508 CA ALA A 75 2.124 1.391 9.226 1.00 0.00 C ATOM 509 C ALA A 75 2.239 -0.102 9.505 1.00 0.00 C ATOM 510 O ALA A 75 2.091 -0.546 10.643 1.00 0.00 O ATOM 511 CB ALA A 75 0.719 1.740 8.757 1.00 0.00 C ATOM 0 H ALA A 75 2.712 2.046 7.323 1.00 0.00 H new ATOM 0 HA ALA A 75 2.324 1.926 10.154 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.005 1.423 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.641 2.817 8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.512 1.230 7.816 1.00 0.00 H new ATOM 517 N TYR A 76 2.506 -0.870 8.455 1.00 0.00 N ATOM 518 CA TYR A 76 2.646 -2.317 8.580 1.00 0.00 C ATOM 519 C TYR A 76 4.060 -2.698 9.016 1.00 0.00 C ATOM 520 O TYR A 76 4.277 -3.774 9.573 1.00 0.00 O ATOM 521 CB TYR A 76 2.318 -2.998 7.251 1.00 0.00 C ATOM 522 CG TYR A 76 0.861 -3.371 7.100 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.173 -3.991 8.135 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.177 -3.110 5.920 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.157 -4.339 7.998 1.00 0.00 C ATOM 526 CE2 TYR A 76 -1.152 -3.455 5.775 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.814 -4.070 6.817 1.00 0.00 C ATOM 528 OH TYR A 76 -3.137 -4.417 6.675 1.00 0.00 O ATOM 0 H TYR A 76 2.630 -0.515 7.507 1.00 0.00 H new ATOM 0 HA TYR A 76 1.945 -2.655 9.343 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.600 -2.334 6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.926 -3.898 7.155 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.686 -4.204 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.693 -2.629 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.679 -4.819 8.812 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.670 -3.245 4.851 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.318 -4.641 5.738 1.00 0.00 H new ATOM 538 N GLY A 77 5.018 -1.814 8.754 1.00 0.00 N ATOM 539 CA GLY A 77 6.396 -2.083 9.121 1.00 0.00 C ATOM 540 C GLY A 77 7.160 -2.786 8.016 1.00 0.00 C ATOM 541 O GLY A 77 8.148 -3.473 8.275 1.00 0.00 O ATOM 0 H GLY A 77 4.864 -0.917 8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.895 -1.145 9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.416 -2.697 10.021 1.00 0.00 H new ATOM 545 N LEU A 78 6.699 -2.615 6.781 1.00 0.00 N ATOM 546 CA LEU A 78 7.341 -3.237 5.629 1.00 0.00 C ATOM 547 C LEU A 78 8.555 -2.430 5.178 1.00 0.00 C ATOM 548 O LEU A 78 8.941 -1.457 5.826 1.00 0.00 O ATOM 549 CB LEU A 78 6.341 -3.366 4.476 1.00 0.00 C ATOM 550 CG LEU A 78 5.240 -4.406 4.687 1.00 0.00 C ATOM 551 CD1 LEU A 78 3.965 -3.985 3.974 1.00 0.00 C ATOM 552 CD2 LEU A 78 5.699 -5.772 4.201 1.00 0.00 C ATOM 0 H LEU A 78 5.881 -2.050 6.552 1.00 0.00 H new ATOM 0 HA LEU A 78 7.680 -4.230 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.875 -2.395 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.888 -3.618 3.567 1.00 0.00 H new ATOM 0 HG LEU A 78 5.029 -4.474 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.193 -4.737 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.627 -3.027 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.160 -3.889 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.904 -6.500 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.937 -5.719 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.586 -6.077 4.757 1.00 0.00 H new ATOM 564 N LYS A 79 9.150 -2.839 4.062 1.00 0.00 N ATOM 565 CA LYS A 79 10.317 -2.154 3.522 1.00 0.00 C ATOM 566 C LYS A 79 10.209 -2.029 2.005 1.00 0.00 C ATOM 567 O LYS A 79 10.925 -2.698 1.260 1.00 0.00 O ATOM 568 CB LYS A 79 11.599 -2.901 3.901 1.00 0.00 C ATOM 569 CG LYS A 79 12.743 -1.982 4.296 1.00 0.00 C ATOM 570 CD LYS A 79 13.577 -1.575 3.090 1.00 0.00 C ATOM 571 CE LYS A 79 14.971 -2.180 3.144 1.00 0.00 C ATOM 572 NZ LYS A 79 16.012 -1.216 2.695 1.00 0.00 N ATOM 0 H LYS A 79 8.842 -3.642 3.514 1.00 0.00 H new ATOM 0 HA LYS A 79 10.357 -1.153 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.385 -3.577 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.913 -3.517 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.344 -1.091 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.378 -2.484 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.076 -1.894 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.653 -0.488 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.188 -2.501 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.005 -3.070 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.948 -1.667 2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.820 -0.929 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.997 -0.378 3.310 1.00 0.00 H new ATOM 586 N SER A 80 9.301 -1.167 1.558 1.00 0.00 N ATOM 587 CA SER A 80 9.085 -0.949 0.133 1.00 0.00 C ATOM 588 C SER A 80 10.191 -0.083 -0.462 1.00 0.00 C ATOM 589 O SER A 80 11.195 0.193 0.195 1.00 0.00 O ATOM 590 CB SER A 80 7.721 -0.295 -0.095 1.00 0.00 C ATOM 591 OG SER A 80 6.700 -1.271 -0.194 1.00 0.00 O ATOM 0 H SER A 80 8.702 -0.607 2.164 1.00 0.00 H new ATOM 0 HA SER A 80 9.106 -1.916 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.499 0.387 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.748 0.302 -1.007 1.00 0.00 H new ATOM 0 HG SER A 80 6.177 -1.282 0.634 1.00 0.00 H new ATOM 597 N GLY A 81 10.006 0.340 -1.710 1.00 0.00 N ATOM 598 CA GLY A 81 11.004 1.165 -2.367 1.00 0.00 C ATOM 599 C GLY A 81 10.484 2.545 -2.716 1.00 0.00 C ATOM 600 O GLY A 81 9.927 3.238 -1.865 1.00 0.00 O ATOM 0 H GLY A 81 9.185 0.127 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.874 1.263 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.340 0.667 -3.277 1.00 0.00 H new ATOM 604 N LEU A 82 10.667 2.943 -3.972 1.00 0.00 N ATOM 605 CA LEU A 82 10.216 4.252 -4.441 1.00 0.00 C ATOM 606 C LEU A 82 9.784 4.194 -5.908 1.00 0.00 C ATOM 607 O LEU A 82 9.536 5.229 -6.528 1.00 0.00 O ATOM 608 CB LEU A 82 11.332 5.297 -4.295 1.00 0.00 C ATOM 609 CG LEU A 82 11.839 5.559 -2.870 1.00 0.00 C ATOM 610 CD1 LEU A 82 10.682 5.815 -1.913 1.00 0.00 C ATOM 611 CD2 LEU A 82 12.701 4.401 -2.385 1.00 0.00 C ATOM 0 H LEU A 82 11.126 2.377 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 82 9.363 4.539 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.178 4.981 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.974 6.240 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 82 12.456 6.457 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.072 5.997 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.119 6.686 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.026 4.945 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.050 4.606 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.112 3.484 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.558 4.283 -3.048 1.00 0.00 H new ATOM 623 N LYS A 83 9.685 2.985 -6.458 1.00 0.00 N ATOM 624 CA LYS A 83 9.272 2.809 -7.846 1.00 0.00 C ATOM 625 C LYS A 83 7.748 2.812 -7.975 1.00 0.00 C ATOM 626 O LYS A 83 7.210 2.557 -9.052 1.00 0.00 O ATOM 627 CB LYS A 83 9.836 1.501 -8.401 1.00 0.00 C ATOM 628 CG LYS A 83 10.043 1.517 -9.907 1.00 0.00 C ATOM 629 CD LYS A 83 11.480 1.856 -10.268 1.00 0.00 C ATOM 630 CE LYS A 83 11.849 1.324 -11.643 1.00 0.00 C ATOM 631 NZ LYS A 83 12.047 -0.152 -11.633 1.00 0.00 N ATOM 0 H LYS A 83 9.885 2.116 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 83 9.666 3.647 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.788 1.290 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.160 0.686 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.783 0.543 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.371 2.246 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.616 2.937 -10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.153 1.435 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.064 1.580 -12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.762 1.810 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.521 -0.445 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.635 -0.418 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.124 -0.626 -11.564 1.00 0.00 H new ATOM 645 N LYS A 84 7.057 3.091 -6.870 1.00 0.00 N ATOM 646 CA LYS A 84 5.598 3.116 -6.859 1.00 0.00 C ATOM 647 C LYS A 84 5.038 1.700 -6.960 1.00 0.00 C ATOM 648 O LYS A 84 4.623 1.116 -5.959 1.00 0.00 O ATOM 649 CB LYS A 84 5.058 3.987 -8.000 1.00 0.00 C ATOM 650 CG LYS A 84 5.745 5.339 -8.108 1.00 0.00 C ATOM 651 CD LYS A 84 4.747 6.482 -8.018 1.00 0.00 C ATOM 652 CE LYS A 84 3.913 6.594 -9.284 1.00 0.00 C ATOM 653 NZ LYS A 84 4.760 6.584 -10.509 1.00 0.00 N ATOM 0 H LYS A 84 7.487 3.303 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 84 5.274 3.552 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.176 3.452 -8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.989 4.142 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.484 5.437 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.284 5.399 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.091 6.327 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.279 7.418 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.204 5.767 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.329 7.514 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.221 6.976 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.610 7.162 -10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.042 5.607 -10.728 1.00 0.00 H new ATOM 667 N GLN A 85 5.037 1.148 -8.170 1.00 0.00 N ATOM 668 CA GLN A 85 4.538 -0.204 -8.395 1.00 0.00 C ATOM 669 C GLN A 85 5.178 -1.192 -7.424 1.00 0.00 C ATOM 670 O GLN A 85 4.557 -2.175 -7.022 1.00 0.00 O ATOM 671 CB GLN A 85 4.812 -0.634 -9.836 1.00 0.00 C ATOM 672 CG GLN A 85 3.795 -1.624 -10.381 1.00 0.00 C ATOM 673 CD GLN A 85 4.171 -2.147 -11.754 1.00 0.00 C ATOM 674 OE1 GLN A 85 5.348 -2.203 -12.109 1.00 0.00 O ATOM 675 NE2 GLN A 85 3.169 -2.533 -12.535 1.00 0.00 N ATOM 0 H GLN A 85 5.376 1.617 -9.010 1.00 0.00 H new ATOM 0 HA GLN A 85 3.462 -0.202 -8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.824 0.250 -10.474 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.805 -1.080 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.702 -2.462 -9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.818 -1.144 -10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.208 -2.469 -12.200 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.361 -2.893 -13.470 1.00 0.00 H new ATOM 684 N GLU A 86 6.427 -0.922 -7.053 1.00 0.00 N ATOM 685 CA GLU A 86 7.153 -1.787 -6.130 1.00 0.00 C ATOM 686 C GLU A 86 6.489 -1.799 -4.760 1.00 0.00 C ATOM 687 O GLU A 86 6.386 -2.846 -4.121 1.00 0.00 O ATOM 688 CB GLU A 86 8.609 -1.333 -6.004 1.00 0.00 C ATOM 689 CG GLU A 86 9.548 -2.430 -5.529 1.00 0.00 C ATOM 690 CD GLU A 86 9.911 -3.404 -6.632 1.00 0.00 C ATOM 691 OE1 GLU A 86 8.989 -4.013 -7.214 1.00 0.00 O ATOM 692 OE2 GLU A 86 11.118 -3.558 -6.915 1.00 0.00 O ATOM 0 H GLU A 86 6.956 -0.112 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 86 7.133 -2.800 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.952 -0.966 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.661 -0.495 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.458 -1.978 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.080 -2.974 -4.708 1.00 0.00 H new ATOM 699 N LEU A 87 6.026 -0.635 -4.315 1.00 0.00 N ATOM 700 CA LEU A 87 5.359 -0.531 -3.024 1.00 0.00 C ATOM 701 C LEU A 87 4.112 -1.401 -3.022 1.00 0.00 C ATOM 702 O LEU A 87 3.836 -2.113 -2.056 1.00 0.00 O ATOM 703 CB LEU A 87 4.985 0.926 -2.726 1.00 0.00 C ATOM 704 CG LEU A 87 6.151 1.831 -2.313 1.00 0.00 C ATOM 705 CD1 LEU A 87 6.132 3.127 -3.108 1.00 0.00 C ATOM 706 CD2 LEU A 87 6.099 2.121 -0.820 1.00 0.00 C ATOM 0 H LEU A 87 6.100 0.244 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 87 6.041 -0.876 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.513 1.351 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.239 0.937 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 87 7.083 1.309 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.968 3.755 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.219 2.903 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.195 3.653 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.934 2.765 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.161 2.621 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.164 1.185 -0.265 1.00 0.00 H new ATOM 718 N LEU A 88 3.370 -1.351 -4.124 1.00 0.00 N ATOM 719 CA LEU A 88 2.160 -2.148 -4.269 1.00 0.00 C ATOM 720 C LEU A 88 2.439 -3.606 -3.935 1.00 0.00 C ATOM 721 O LEU A 88 1.763 -4.202 -3.098 1.00 0.00 O ATOM 722 CB LEU A 88 1.614 -2.035 -5.692 1.00 0.00 C ATOM 723 CG LEU A 88 0.748 -0.804 -5.951 1.00 0.00 C ATOM 724 CD1 LEU A 88 -0.464 -0.805 -5.032 1.00 0.00 C ATOM 725 CD2 LEU A 88 1.566 0.466 -5.760 1.00 0.00 C ATOM 0 H LEU A 88 3.587 -0.765 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 88 1.413 -1.765 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.453 -2.024 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.028 -2.927 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 88 0.396 -0.835 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.071 0.079 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.058 -1.701 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.133 -0.794 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.937 1.336 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.944 0.505 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.404 0.467 -6.457 1.00 0.00 H new ATOM 737 N GLU A 89 3.444 -4.175 -4.594 1.00 0.00 N ATOM 738 CA GLU A 89 3.817 -5.565 -4.364 1.00 0.00 C ATOM 739 C GLU A 89 4.000 -5.839 -2.876 1.00 0.00 C ATOM 740 O GLU A 89 3.392 -6.758 -2.329 1.00 0.00 O ATOM 741 CB GLU A 89 5.098 -5.910 -5.126 1.00 0.00 C ATOM 742 CG GLU A 89 5.073 -7.289 -5.765 1.00 0.00 C ATOM 743 CD GLU A 89 6.388 -7.647 -6.428 1.00 0.00 C ATOM 744 OE1 GLU A 89 7.407 -7.741 -5.713 1.00 0.00 O ATOM 745 OE2 GLU A 89 6.399 -7.831 -7.664 1.00 0.00 O ATOM 0 H GLU A 89 4.014 -3.695 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 89 3.009 -6.197 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.262 -5.162 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.945 -5.851 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.839 -8.034 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.274 -7.328 -6.506 1.00 0.00 H new ATOM 752 N ALA A 90 4.831 -5.031 -2.220 1.00 0.00 N ATOM 753 CA ALA A 90 5.069 -5.197 -0.793 1.00 0.00 C ATOM 754 C ALA A 90 3.749 -5.212 -0.037 1.00 0.00 C ATOM 755 O ALA A 90 3.534 -6.036 0.852 1.00 0.00 O ATOM 756 CB ALA A 90 5.974 -4.092 -0.269 1.00 0.00 C ATOM 0 H ALA A 90 5.345 -4.263 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 90 5.571 -6.152 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.140 -4.233 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.930 -4.125 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.502 -3.124 -0.438 1.00 0.00 H new ATOM 762 N LEU A 91 2.861 -4.300 -0.414 1.00 0.00 N ATOM 763 CA LEU A 91 1.549 -4.209 0.208 1.00 0.00 C ATOM 764 C LEU A 91 0.732 -5.447 -0.106 1.00 0.00 C ATOM 765 O LEU A 91 0.290 -6.163 0.793 1.00 0.00 O ATOM 766 CB LEU A 91 0.808 -2.976 -0.301 1.00 0.00 C ATOM 767 CG LEU A 91 1.103 -1.680 0.460 1.00 0.00 C ATOM 768 CD1 LEU A 91 1.314 -0.526 -0.510 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.026 -1.363 1.432 1.00 0.00 C ATOM 0 H LEU A 91 3.028 -3.613 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 91 1.686 -4.130 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.060 -2.828 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.264 -3.170 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 91 2.020 -1.818 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.522 0.386 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.156 -0.750 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.415 -0.386 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.201 -0.439 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.959 -1.245 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.129 -2.178 2.148 1.00 0.00 H new ATOM 781 N THR A 92 0.541 -5.696 -1.395 1.00 0.00 N ATOM 782 CA THR A 92 -0.215 -6.848 -1.846 1.00 0.00 C ATOM 783 C THR A 92 0.305 -8.112 -1.168 1.00 0.00 C ATOM 784 O THR A 92 -0.433 -8.800 -0.466 1.00 0.00 O ATOM 785 CB THR A 92 -0.117 -6.959 -3.370 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.028 -6.071 -3.992 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.396 -8.345 -3.904 1.00 0.00 C ATOM 0 H THR A 92 0.903 -5.110 -2.147 1.00 0.00 H new ATOM 0 HA THR A 92 -1.264 -6.728 -1.574 1.00 0.00 H new ATOM 0 HB THR A 92 0.917 -6.707 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.952 -6.153 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.307 -8.341 -4.990 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.323 -9.048 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.405 -8.646 -3.624 1.00 0.00 H new ATOM 795 N LYS A 93 1.587 -8.400 -1.373 1.00 0.00 N ATOM 796 CA LYS A 93 2.215 -9.570 -0.771 1.00 0.00 C ATOM 797 C LYS A 93 1.885 -9.671 0.716 1.00 0.00 C ATOM 798 O LYS A 93 1.800 -10.768 1.268 1.00 0.00 O ATOM 799 CB LYS A 93 3.731 -9.516 -0.966 1.00 0.00 C ATOM 800 CG LYS A 93 4.370 -10.883 -1.153 1.00 0.00 C ATOM 801 CD LYS A 93 4.250 -11.364 -2.591 1.00 0.00 C ATOM 802 CE LYS A 93 5.575 -11.894 -3.116 1.00 0.00 C ATOM 803 NZ LYS A 93 6.589 -10.813 -3.258 1.00 0.00 N ATOM 0 H LYS A 93 2.211 -7.838 -1.952 1.00 0.00 H new ATOM 0 HA LYS A 93 1.820 -10.456 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.955 -8.897 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.183 -9.028 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.422 -10.835 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.894 -11.602 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.494 -12.147 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.910 -10.543 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.953 -12.660 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.417 -12.373 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.336 -11.121 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.133 -9.956 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.008 -10.606 -2.329 1.00 0.00 H new ATOM 817 N HIS A 94 1.706 -8.521 1.363 1.00 0.00 N ATOM 818 CA HIS A 94 1.394 -8.493 2.787 1.00 0.00 C ATOM 819 C HIS A 94 -0.058 -8.886 3.046 1.00 0.00 C ATOM 820 O HIS A 94 -0.345 -9.659 3.959 1.00 0.00 O ATOM 821 CB HIS A 94 1.671 -7.104 3.363 1.00 0.00 C ATOM 822 CG HIS A 94 2.070 -7.126 4.806 1.00 0.00 C ATOM 823 ND1 HIS A 94 1.719 -6.319 5.835 1.00 0.00 N flip ATOM 824 CD2 HIS A 94 2.935 -8.062 5.333 1.00 0.00 C flip ATOM 825 CE1 HIS A 94 2.371 -6.778 6.953 1.00 0.00 C flip ATOM 826 NE2 HIS A 94 3.097 -7.830 6.623 1.00 0.00 N flip ATOM 0 H HIS A 94 1.772 -7.602 0.925 1.00 0.00 H new ATOM 0 HA HIS A 94 2.035 -9.222 3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.462 -6.629 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.779 -6.488 3.250 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.088 -5.519 5.788 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.406 -8.860 4.778 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.301 -6.348 7.941 1.00 0.00 H new ATOM 835 N PHE A 95 -0.970 -8.347 2.243 1.00 0.00 N ATOM 836 CA PHE A 95 -2.391 -8.643 2.400 1.00 0.00 C ATOM 837 C PHE A 95 -2.823 -9.816 1.519 1.00 0.00 C ATOM 838 O PHE A 95 -4.003 -10.163 1.475 1.00 0.00 O ATOM 839 CB PHE A 95 -3.230 -7.402 2.082 1.00 0.00 C ATOM 840 CG PHE A 95 -4.064 -6.944 3.244 1.00 0.00 C ATOM 841 CD1 PHE A 95 -4.809 -7.853 3.978 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.096 -5.608 3.607 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.572 -7.437 5.052 1.00 0.00 C ATOM 844 CE2 PHE A 95 -4.856 -5.185 4.680 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.596 -6.101 5.404 1.00 0.00 C ATOM 0 H PHE A 95 -0.753 -7.706 1.480 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.558 -8.930 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.569 -6.592 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.883 -7.618 1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.793 -8.898 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.520 -4.888 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.149 -8.155 5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.872 -4.140 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.192 -5.773 6.243 1.00 0.00 H new ATOM 855 N GLN A 96 -1.868 -10.428 0.821 1.00 0.00 N ATOM 856 CA GLN A 96 -2.170 -11.561 -0.046 1.00 0.00 C ATOM 857 C GLN A 96 -2.470 -12.808 0.780 1.00 0.00 C ATOM 858 O GLN A 96 -1.855 -13.037 1.821 1.00 0.00 O ATOM 859 CB GLN A 96 -1.004 -11.832 -0.998 1.00 0.00 C ATOM 860 CG GLN A 96 -1.435 -12.411 -2.335 1.00 0.00 C ATOM 861 CD GLN A 96 -2.216 -11.420 -3.176 1.00 0.00 C ATOM 862 OE1 GLN A 96 -3.335 -11.042 -2.830 1.00 0.00 O ATOM 863 NE2 GLN A 96 -1.627 -10.993 -4.287 1.00 0.00 N ATOM 0 H GLN A 96 -0.884 -10.159 0.840 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.054 -11.312 -0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.463 -10.902 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.308 -12.521 -0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.553 -12.735 -2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.046 -13.297 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.698 -11.333 -4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.104 -10.325 -4.892 1.00 0.00 H new