USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 668 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 46 SER OG : rot 150:sc= -0.757 USER MOD Set 1.2: A 48 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 GLN : amide:sc= 0.614 K(o=1.8,f=-11!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -161:sc= 1.15 (180deg=-0.295) USER MOD Set 3.1: A 4 ASN : amide:sc= -0.271 K(o=-1.5,f=-3.6) USER MOD Set 3.2: A 6 TYR OH : rot 46:sc= -0.497 USER MOD Set 3.3: A 78 SER OG : rot 73:sc= -0.725! USER MOD Set 4.1: A 3 GLN : amide:sc= -10.8! C(o=-9.2!,f=-14!) USER MOD Set 4.2: A 41 LYS NZ :NH3+ -128:sc= 0.826 (180deg=-0.826!) USER MOD Set 4.3: A 64 TYR OH : rot 58:sc= 0.79 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00315 USER MOD Single : A 12 THR OG1 : rot -14:sc= 0.373 USER MOD Single : A 15 HIS :FLIP no HE2:sc= -9.71! C(o=-11!,f=-9.7!) USER MOD Single : A 20 THR OG1 : rot 101:sc= 0.359 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0491 USER MOD Single : A 31 SER OG : rot 67:sc= -2.59 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.2! C(o=-2.1!,f=-1.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 38 ASN : amide:sc= -10.1! C(o=-10!,f=-9.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.344 F(o=-1.9,f=-0.34) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -1.23 (180deg=-2.46!) USER MOD Single : A 51 MET CE :methyl 148:sc= -0.794 (180deg=-3.03!) USER MOD Single : A 52 SER OG : rot -43:sc= 0.157 USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= -0.532 (180deg=-2.16!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.76 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 60:sc= -1.54! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.701 F(o=-3.6!,f=-0.7) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -7.002 -0.890 11.636 1.00 0.00 N ATOM 19 CA GLU A 2 -5.934 -1.873 11.564 1.00 0.00 C ATOM 20 C GLU A 2 -5.042 -1.602 10.352 1.00 0.00 C ATOM 21 O GLU A 2 -5.538 -1.376 9.249 1.00 0.00 O ATOM 22 CB GLU A 2 -6.501 -3.294 11.521 1.00 0.00 C ATOM 23 CG GLU A 2 -6.162 -3.979 10.195 1.00 0.00 C ATOM 24 CD GLU A 2 -6.390 -5.490 10.284 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.044 -6.224 9.348 1.00 0.00 O ATOM 26 OE2 GLU A 2 -6.948 -5.893 11.375 1.00 0.00 O ATOM 0 HA GLU A 2 -5.325 -1.786 12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.097 -3.876 12.349 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.583 -3.262 11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.777 -3.561 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.123 -3.779 9.934 1.00 0.00 H new ATOM 34 N GLN A 3 -3.740 -1.632 10.597 1.00 0.00 N ATOM 35 CA GLN A 3 -2.774 -1.391 9.540 1.00 0.00 C ATOM 36 C GLN A 3 -1.905 -2.633 9.322 1.00 0.00 C ATOM 37 O GLN A 3 -2.109 -3.658 9.969 1.00 0.00 O ATOM 38 CB GLN A 3 -1.912 -0.167 9.852 1.00 0.00 C ATOM 39 CG GLN A 3 -0.936 -0.461 10.993 1.00 0.00 C ATOM 40 CD GLN A 3 0.381 0.295 10.797 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.475 1.241 10.032 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.388 -0.174 11.529 1.00 0.00 N ATOM 0 H GLN A 3 -3.332 -1.820 11.513 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.318 -1.185 8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.358 0.128 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.551 0.673 10.123 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.386 -0.175 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.741 -1.532 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.240 -0.970 12.150 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.308 0.262 11.470 1.00 0.00 H new ATOM 51 N ASN A 4 -0.955 -2.498 8.408 1.00 0.00 N ATOM 52 CA ASN A 4 -0.055 -3.595 8.097 1.00 0.00 C ATOM 53 C ASN A 4 1.240 -3.036 7.506 1.00 0.00 C ATOM 54 O ASN A 4 1.206 -2.251 6.560 1.00 0.00 O ATOM 55 CB ASN A 4 -0.675 -4.541 7.066 1.00 0.00 C ATOM 56 CG ASN A 4 -1.017 -5.892 7.698 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.834 -6.945 7.110 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.523 -5.803 8.924 1.00 0.00 N ATOM 0 H ASN A 4 -0.789 -1.645 7.873 1.00 0.00 H new ATOM 0 HA ASN A 4 0.139 -4.143 9.019 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.577 -4.091 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.019 -4.688 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.784 -6.649 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.650 -4.889 9.358 1.00 0.00 H new ATOM 65 N SER A 5 2.352 -3.460 8.089 1.00 0.00 N ATOM 66 CA SER A 5 3.655 -3.011 7.631 1.00 0.00 C ATOM 67 C SER A 5 4.287 -4.070 6.726 1.00 0.00 C ATOM 68 O SER A 5 3.948 -5.249 6.816 1.00 0.00 O ATOM 69 CB SER A 5 4.578 -2.705 8.813 1.00 0.00 C ATOM 70 OG SER A 5 3.903 -2.826 10.062 1.00 0.00 O ATOM 0 H SER A 5 2.377 -4.110 8.875 1.00 0.00 H new ATOM 0 HA SER A 5 3.518 -2.091 7.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.430 -3.385 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.975 -1.695 8.711 1.00 0.00 H new ATOM 0 HG SER A 5 4.526 -2.625 10.791 1.00 0.00 H new ATOM 76 N TYR A 6 5.193 -3.612 5.875 1.00 0.00 N ATOM 77 CA TYR A 6 5.874 -4.506 4.955 1.00 0.00 C ATOM 78 C TYR A 6 7.227 -3.932 4.533 1.00 0.00 C ATOM 79 O TYR A 6 7.597 -2.834 4.948 1.00 0.00 O ATOM 80 CB TYR A 6 4.972 -4.611 3.722 1.00 0.00 C ATOM 81 CG TYR A 6 3.563 -5.127 4.025 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.395 -6.353 4.635 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.463 -4.368 3.686 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.070 -6.841 4.920 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.138 -4.854 3.970 1.00 0.00 C ATOM 86 CZ TYR A 6 1.007 -6.066 4.573 1.00 0.00 C ATOM 87 OH TYR A 6 -0.245 -6.526 4.841 1.00 0.00 O ATOM 0 H TYR A 6 5.471 -2.633 5.803 1.00 0.00 H new ATOM 0 HA TYR A 6 6.055 -5.473 5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.896 -3.629 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.442 -5.274 2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.257 -6.947 4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.595 -3.409 3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.924 -7.799 5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.268 -4.269 3.710 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.275 -6.878 5.755 1.00 0.00 H new ATOM 97 N VAL A 7 7.932 -4.699 3.714 1.00 0.00 N ATOM 98 CA VAL A 7 9.237 -4.280 3.232 1.00 0.00 C ATOM 99 C VAL A 7 9.245 -4.310 1.702 1.00 0.00 C ATOM 100 O VAL A 7 8.658 -5.204 1.092 1.00 0.00 O ATOM 101 CB VAL A 7 10.329 -5.154 3.853 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.721 -6.329 4.621 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.311 -5.643 2.787 1.00 0.00 C ATOM 0 H VAL A 7 7.624 -5.609 3.372 1.00 0.00 H new ATOM 0 HA VAL A 7 9.446 -3.255 3.538 1.00 0.00 H new ATOM 0 HB VAL A 7 10.884 -4.542 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.519 -6.934 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.081 -5.951 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.129 -6.941 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.077 -6.262 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.775 -6.230 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.781 -4.786 2.305 1.00 0.00 H new ATOM 113 N ILE A 8 9.915 -3.324 1.126 1.00 0.00 N ATOM 114 CA ILE A 8 10.008 -3.227 -0.320 1.00 0.00 C ATOM 115 C ILE A 8 11.253 -3.974 -0.799 1.00 0.00 C ATOM 116 O ILE A 8 12.363 -3.689 -0.351 1.00 0.00 O ATOM 117 CB ILE A 8 9.960 -1.763 -0.763 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.646 -1.104 -0.340 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.207 -1.637 -2.268 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.444 -1.922 -0.817 1.00 0.00 C ATOM 0 H ILE A 8 10.399 -2.584 1.635 1.00 0.00 H new ATOM 0 HA ILE A 8 9.149 -3.706 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 8 10.765 -1.227 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.617 -1.007 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.591 -0.096 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.168 -0.587 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.189 -2.043 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.441 -2.191 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.523 -1.432 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.463 -1.997 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.489 -2.921 -0.384 1.00 0.00 H new ATOM 132 N ILE A 9 11.029 -4.917 -1.704 1.00 0.00 N ATOM 133 CA ILE A 9 12.119 -5.707 -2.248 1.00 0.00 C ATOM 134 C ILE A 9 12.150 -5.546 -3.769 1.00 0.00 C ATOM 135 O ILE A 9 13.010 -6.116 -4.439 1.00 0.00 O ATOM 136 CB ILE A 9 12.010 -7.161 -1.785 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.683 -7.779 -2.228 1.00 0.00 C ATOM 138 CG2 ILE A 9 12.219 -7.272 -0.274 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.712 -9.302 -2.087 1.00 0.00 C ATOM 0 H ILE A 9 10.107 -5.151 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 9 13.076 -5.348 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 9 12.806 -7.733 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.870 -7.370 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.481 -7.510 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.136 -8.316 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.209 -6.896 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.461 -6.683 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.756 -9.715 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.511 -9.710 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.890 -9.568 -1.045 1.00 0.00 H new ATOM 151 N ASP A 10 11.202 -4.767 -4.270 1.00 0.00 N ATOM 152 CA ASP A 10 11.110 -4.525 -5.699 1.00 0.00 C ATOM 153 C ASP A 10 12.056 -3.384 -6.081 1.00 0.00 C ATOM 154 O ASP A 10 11.872 -2.249 -5.644 1.00 0.00 O ATOM 155 CB ASP A 10 9.691 -4.116 -6.098 1.00 0.00 C ATOM 156 CG ASP A 10 9.563 -3.505 -7.495 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.785 -2.562 -7.710 1.00 0.00 O ATOM 158 OD2 ASP A 10 10.313 -4.042 -8.396 1.00 0.00 O ATOM 0 H ASP A 10 10.491 -4.295 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 10 11.378 -5.447 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.047 -4.993 -6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.317 -3.398 -5.368 1.00 0.00 H new ATOM 164 N GLU A 11 13.047 -3.726 -6.890 1.00 0.00 N ATOM 165 CA GLU A 11 14.022 -2.744 -7.335 1.00 0.00 C ATOM 166 C GLU A 11 13.337 -1.650 -8.156 1.00 0.00 C ATOM 167 O GLU A 11 13.943 -0.624 -8.459 1.00 0.00 O ATOM 168 CB GLU A 11 15.144 -3.408 -8.135 1.00 0.00 C ATOM 169 CG GLU A 11 14.770 -3.523 -9.614 1.00 0.00 C ATOM 170 CD GLU A 11 15.013 -2.200 -10.344 1.00 0.00 C ATOM 171 OE1 GLU A 11 15.913 -1.438 -9.962 1.00 0.00 O ATOM 172 OE2 GLU A 11 14.229 -1.977 -11.343 1.00 0.00 O ATOM 0 H GLU A 11 13.196 -4.669 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 11 14.471 -2.283 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.061 -2.828 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.347 -4.399 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.357 -4.314 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.722 -3.807 -9.707 1.00 0.00 H new ATOM 180 N THR A 12 12.081 -1.907 -8.494 1.00 0.00 N ATOM 181 CA THR A 12 11.307 -0.957 -9.274 1.00 0.00 C ATOM 182 C THR A 12 10.544 -0.004 -8.351 1.00 0.00 C ATOM 183 O THR A 12 10.019 1.013 -8.800 1.00 0.00 O ATOM 184 CB THR A 12 10.397 -1.749 -10.215 1.00 0.00 C ATOM 185 OG1 THR A 12 11.301 -2.468 -11.049 1.00 0.00 O ATOM 186 CG2 THR A 12 9.632 -0.847 -11.186 1.00 0.00 C ATOM 0 H THR A 12 11.581 -2.759 -8.242 1.00 0.00 H new ATOM 0 HA THR A 12 11.954 -0.323 -9.880 1.00 0.00 H new ATOM 0 HB THR A 12 9.689 -2.334 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.202 -2.095 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.001 -1.459 -11.831 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.009 -0.152 -10.623 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.340 -0.287 -11.797 1.00 0.00 H new ATOM 194 N GLY A 13 10.510 -0.367 -7.078 1.00 0.00 N ATOM 195 CA GLY A 13 9.821 0.443 -6.087 1.00 0.00 C ATOM 196 C GLY A 13 8.353 0.646 -6.470 1.00 0.00 C ATOM 197 O GLY A 13 8.056 1.205 -7.525 1.00 0.00 O ATOM 0 H GLY A 13 10.948 -1.211 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.883 -0.039 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.314 1.411 -5.996 1.00 0.00 H new ATOM 201 N ILE A 14 7.475 0.184 -5.593 1.00 0.00 N ATOM 202 CA ILE A 14 6.047 0.309 -5.827 1.00 0.00 C ATOM 203 C ILE A 14 5.795 1.434 -6.833 1.00 0.00 C ATOM 204 O ILE A 14 5.961 2.609 -6.509 1.00 0.00 O ATOM 205 CB ILE A 14 5.301 0.490 -4.503 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.432 -0.730 -4.191 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.489 1.787 -4.504 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.003 -0.530 -4.698 1.00 0.00 C ATOM 0 H ILE A 14 7.725 -0.278 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 14 5.652 -0.607 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 14 6.038 0.572 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.865 -1.617 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.419 -0.906 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.969 1.891 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.158 2.635 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.761 1.760 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.407 -1.412 -4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.565 0.343 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.018 -0.379 -5.777 1.00 0.00 H new ATOM 220 N HIS A 15 5.400 1.034 -8.032 1.00 0.00 N ATOM 221 CA HIS A 15 5.124 1.994 -9.088 1.00 0.00 C ATOM 222 C HIS A 15 3.615 2.075 -9.327 1.00 0.00 C ATOM 223 O HIS A 15 2.828 1.570 -8.527 1.00 0.00 O ATOM 224 CB HIS A 15 5.907 1.647 -10.356 1.00 0.00 C ATOM 225 CG HIS A 15 6.211 0.176 -10.506 1.00 0.00 C ATOM 226 ND1 HIS A 15 6.929 -0.671 -9.716 1.00 0.00 N flip ATOM 227 CD2 HIS A 15 5.756 -0.577 -11.575 1.00 0.00 C flip ATOM 228 CE1 HIS A 15 6.912 -1.878 -10.268 1.00 0.00 C flip ATOM 229 NE2 HIS A 15 6.186 -1.822 -11.422 1.00 0.00 N flip ATOM 0 H HIS A 15 5.264 0.058 -8.296 1.00 0.00 H new ATOM 0 HA HIS A 15 5.462 2.984 -8.781 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.339 1.981 -11.224 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.844 2.203 -10.356 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.400 -0.420 -8.847 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.154 -0.213 -12.394 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.393 -2.759 -9.870 1.00 0.00 H new ATOM 237 N ALA A 16 3.256 2.713 -10.431 1.00 0.00 N ATOM 238 CA ALA A 16 1.855 2.866 -10.785 1.00 0.00 C ATOM 239 C ALA A 16 1.262 1.494 -11.108 1.00 0.00 C ATOM 240 O ALA A 16 0.058 1.286 -10.971 1.00 0.00 O ATOM 241 CB ALA A 16 1.728 3.847 -11.953 1.00 0.00 C ATOM 0 H ALA A 16 3.911 3.130 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 16 1.291 3.280 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.677 3.962 -12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.137 4.815 -11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.280 3.464 -12.812 1.00 0.00 H new ATOM 247 N ARG A 17 2.136 0.592 -11.532 1.00 0.00 N ATOM 248 CA ARG A 17 1.714 -0.755 -11.875 1.00 0.00 C ATOM 249 C ARG A 17 1.051 -1.427 -10.671 1.00 0.00 C ATOM 250 O ARG A 17 -0.141 -1.729 -10.703 1.00 0.00 O ATOM 251 CB ARG A 17 2.901 -1.604 -12.334 1.00 0.00 C ATOM 252 CG ARG A 17 2.797 -1.932 -13.825 1.00 0.00 C ATOM 253 CD ARG A 17 3.632 -3.166 -14.175 1.00 0.00 C ATOM 254 NE ARG A 17 4.727 -2.792 -15.098 1.00 0.00 N ATOM 255 CZ ARG A 17 5.511 -3.675 -15.730 1.00 0.00 C ATOM 256 NH1 ARG A 17 5.326 -4.989 -15.544 1.00 0.00 N ATOM 257 NH2 ARG A 17 6.480 -3.245 -16.549 1.00 0.00 N ATOM 0 H ARG A 17 3.134 0.768 -11.646 1.00 0.00 H new ATOM 0 HA ARG A 17 0.998 -0.679 -12.693 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.831 -1.070 -12.140 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.937 -2.528 -11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.754 -2.107 -14.091 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.137 -1.080 -14.413 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.045 -3.605 -13.267 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.999 -3.924 -14.637 1.00 0.00 H new ATOM 0 HE ARG A 17 4.895 -1.800 -15.263 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.588 -5.317 -14.921 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.923 -5.661 -16.025 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.621 -2.245 -16.691 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.077 -3.918 -17.030 1.00 0.00 H new ATOM 271 N PRO A 18 1.873 -1.647 -9.610 1.00 0.00 N ATOM 272 CA PRO A 18 1.379 -2.278 -8.399 1.00 0.00 C ATOM 273 C PRO A 18 0.528 -1.303 -7.581 1.00 0.00 C ATOM 274 O PRO A 18 -0.577 -1.642 -7.159 1.00 0.00 O ATOM 275 CB PRO A 18 2.624 -2.741 -7.661 1.00 0.00 C ATOM 276 CG PRO A 18 3.778 -1.949 -8.251 1.00 0.00 C ATOM 277 CD PRO A 18 3.290 -1.302 -9.537 1.00 0.00 C ATOM 0 HA PRO A 18 0.717 -3.119 -8.603 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.533 -2.559 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.779 -3.812 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.119 -1.190 -7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.627 -2.603 -8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.434 -0.222 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.835 -1.680 -10.402 1.00 0.00 H new ATOM 285 N ALA A 19 1.075 -0.112 -7.383 1.00 0.00 N ATOM 286 CA ALA A 19 0.380 0.913 -6.624 1.00 0.00 C ATOM 287 C ALA A 19 -1.094 0.931 -7.030 1.00 0.00 C ATOM 288 O ALA A 19 -1.964 1.234 -6.214 1.00 0.00 O ATOM 289 CB ALA A 19 1.063 2.265 -6.847 1.00 0.00 C ATOM 0 H ALA A 19 1.991 0.165 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 19 0.425 0.697 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.542 3.034 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.100 2.208 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.035 2.517 -7.907 1.00 0.00 H new ATOM 295 N THR A 20 -1.332 0.603 -8.292 1.00 0.00 N ATOM 296 CA THR A 20 -2.687 0.577 -8.816 1.00 0.00 C ATOM 297 C THR A 20 -3.481 -0.569 -8.188 1.00 0.00 C ATOM 298 O THR A 20 -4.534 -0.347 -7.592 1.00 0.00 O ATOM 299 CB THR A 20 -2.602 0.493 -10.341 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.702 1.849 -10.770 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.826 -0.185 -10.961 1.00 0.00 C ATOM 0 H THR A 20 -0.609 0.353 -8.967 1.00 0.00 H new ATOM 0 HA THR A 20 -3.229 1.486 -8.555 1.00 0.00 H new ATOM 0 HB THR A 20 -1.703 -0.054 -10.624 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.809 2.190 -10.987 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.714 -0.218 -12.045 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.915 -1.200 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.723 0.380 -10.706 1.00 0.00 H new ATOM 309 N MET A 21 -2.945 -1.771 -8.342 1.00 0.00 N ATOM 310 CA MET A 21 -3.591 -2.954 -7.798 1.00 0.00 C ATOM 311 C MET A 21 -3.806 -2.816 -6.290 1.00 0.00 C ATOM 312 O MET A 21 -4.876 -3.143 -5.779 1.00 0.00 O ATOM 313 CB MET A 21 -2.725 -4.184 -8.080 1.00 0.00 C ATOM 314 CG MET A 21 -2.573 -4.414 -9.584 1.00 0.00 C ATOM 315 SD MET A 21 -2.054 -6.093 -9.895 1.00 0.00 S ATOM 316 CE MET A 21 -3.645 -6.892 -10.020 1.00 0.00 C ATOM 0 H MET A 21 -2.071 -1.951 -8.836 1.00 0.00 H new ATOM 0 HA MET A 21 -4.564 -3.066 -8.276 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.742 -4.053 -7.627 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.174 -5.063 -7.618 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.520 -4.218 -10.088 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.843 -3.717 -9.995 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.504 -7.955 -10.215 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.191 -6.763 -9.085 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.213 -6.446 -10.836 1.00 0.00 H new ATOM 326 N LEU A 22 -2.772 -2.329 -5.619 1.00 0.00 N ATOM 327 CA LEU A 22 -2.834 -2.143 -4.180 1.00 0.00 C ATOM 328 C LEU A 22 -3.919 -1.117 -3.849 1.00 0.00 C ATOM 329 O LEU A 22 -4.740 -1.340 -2.960 1.00 0.00 O ATOM 330 CB LEU A 22 -1.454 -1.780 -3.626 1.00 0.00 C ATOM 331 CG LEU A 22 -1.024 -2.518 -2.358 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.682 -3.978 -2.663 1.00 0.00 C ATOM 333 CD2 LEU A 22 0.130 -1.793 -1.664 1.00 0.00 C ATOM 0 H LEU A 22 -1.886 -2.058 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.114 -3.074 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.712 -1.969 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.436 -0.709 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.865 -2.521 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.379 -4.480 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.557 -4.478 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.134 -4.017 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.415 -2.340 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.983 -1.736 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.185 -0.786 -1.391 1.00 0.00 H new ATOM 345 N VAL A 23 -3.889 -0.013 -4.581 1.00 0.00 N ATOM 346 CA VAL A 23 -4.860 1.048 -4.377 1.00 0.00 C ATOM 347 C VAL A 23 -6.247 0.550 -4.787 1.00 0.00 C ATOM 348 O VAL A 23 -7.237 0.841 -4.117 1.00 0.00 O ATOM 349 CB VAL A 23 -4.427 2.305 -5.133 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.642 3.142 -5.543 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.444 3.135 -4.304 1.00 0.00 C ATOM 0 H VAL A 23 -3.207 0.170 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.912 1.321 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.914 1.989 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.308 4.030 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.290 2.550 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.194 3.442 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.153 4.023 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.919 3.436 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.559 2.538 -4.084 1.00 0.00 H new ATOM 361 N GLN A 24 -6.274 -0.191 -5.884 1.00 0.00 N ATOM 362 CA GLN A 24 -7.522 -0.732 -6.392 1.00 0.00 C ATOM 363 C GLN A 24 -8.144 -1.683 -5.367 1.00 0.00 C ATOM 364 O GLN A 24 -9.243 -1.437 -4.873 1.00 0.00 O ATOM 365 CB GLN A 24 -7.312 -1.434 -7.735 1.00 0.00 C ATOM 366 CG GLN A 24 -8.578 -1.375 -8.590 1.00 0.00 C ATOM 367 CD GLN A 24 -8.620 -2.532 -9.590 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.423 -3.445 -9.487 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.713 -2.444 -10.558 1.00 0.00 N ATOM 0 H GLN A 24 -5.450 -0.430 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.212 0.095 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.486 -0.964 -8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.032 -2.474 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.457 -1.414 -7.947 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.616 -0.426 -9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.071 -1.652 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.659 -3.168 -11.274 1.00 0.00 H new ATOM 378 N THR A 25 -7.413 -2.750 -5.078 1.00 0.00 N ATOM 379 CA THR A 25 -7.880 -3.739 -4.121 1.00 0.00 C ATOM 380 C THR A 25 -8.186 -3.078 -2.777 1.00 0.00 C ATOM 381 O THR A 25 -9.011 -3.573 -2.011 1.00 0.00 O ATOM 382 CB THR A 25 -6.822 -4.842 -4.029 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.395 -5.933 -4.746 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.657 -5.377 -2.606 1.00 0.00 C ATOM 0 H THR A 25 -6.502 -2.951 -5.489 1.00 0.00 H new ATOM 0 HA THR A 25 -8.817 -4.192 -4.445 1.00 0.00 H new ATOM 0 HB THR A 25 -5.866 -4.459 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.774 -6.691 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.895 -6.157 -2.596 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.354 -4.565 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.604 -5.791 -2.261 1.00 0.00 H new ATOM 392 N ALA A 26 -7.504 -1.969 -2.529 1.00 0.00 N ATOM 393 CA ALA A 26 -7.693 -1.235 -1.290 1.00 0.00 C ATOM 394 C ALA A 26 -9.094 -0.619 -1.276 1.00 0.00 C ATOM 395 O ALA A 26 -9.840 -0.786 -0.312 1.00 0.00 O ATOM 396 CB ALA A 26 -6.593 -0.181 -1.148 1.00 0.00 C ATOM 0 H ALA A 26 -6.819 -1.561 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.617 -1.904 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.735 0.370 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.619 -0.671 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.640 0.510 -1.990 1.00 0.00 H new ATOM 402 N SER A 27 -9.410 0.079 -2.357 1.00 0.00 N ATOM 403 CA SER A 27 -10.708 0.720 -2.481 1.00 0.00 C ATOM 404 C SER A 27 -11.774 -0.320 -2.834 1.00 0.00 C ATOM 405 O SER A 27 -12.879 -0.289 -2.295 1.00 0.00 O ATOM 406 CB SER A 27 -10.678 1.828 -3.535 1.00 0.00 C ATOM 407 OG SER A 27 -10.718 1.305 -4.861 1.00 0.00 O ATOM 0 H SER A 27 -8.789 0.215 -3.155 1.00 0.00 H new ATOM 0 HA SER A 27 -10.957 1.175 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.526 2.496 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.775 2.425 -3.408 1.00 0.00 H new ATOM 0 HG SER A 27 -10.699 2.044 -5.505 1.00 0.00 H new ATOM 413 N LYS A 28 -11.404 -1.216 -3.736 1.00 0.00 N ATOM 414 CA LYS A 28 -12.313 -2.264 -4.168 1.00 0.00 C ATOM 415 C LYS A 28 -13.202 -2.677 -2.994 1.00 0.00 C ATOM 416 O LYS A 28 -14.377 -2.992 -3.180 1.00 0.00 O ATOM 417 CB LYS A 28 -11.536 -3.425 -4.790 1.00 0.00 C ATOM 418 CG LYS A 28 -10.875 -3.002 -6.104 1.00 0.00 C ATOM 419 CD LYS A 28 -11.696 -3.470 -7.306 1.00 0.00 C ATOM 420 CE LYS A 28 -11.628 -4.991 -7.459 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.263 -5.413 -7.847 1.00 0.00 N ATOM 0 H LYS A 28 -10.486 -1.238 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.973 -1.896 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.775 -3.773 -4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.210 -4.263 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.771 -1.917 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.870 -3.420 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.734 -3.159 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.324 -2.993 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.910 -5.470 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.344 -5.319 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.298 -6.369 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.882 -4.750 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.649 -5.416 -7.008 1.00 0.00 H new ATOM 435 N PHE A 29 -12.608 -2.662 -1.810 1.00 0.00 N ATOM 436 CA PHE A 29 -13.331 -3.032 -0.604 1.00 0.00 C ATOM 437 C PHE A 29 -14.266 -1.905 -0.160 1.00 0.00 C ATOM 438 O PHE A 29 -15.384 -1.787 -0.660 1.00 0.00 O ATOM 439 CB PHE A 29 -12.287 -3.274 0.487 1.00 0.00 C ATOM 440 CG PHE A 29 -11.479 -4.560 0.301 1.00 0.00 C ATOM 441 CD1 PHE A 29 -12.100 -5.769 0.362 1.00 0.00 C ATOM 442 CD2 PHE A 29 -10.140 -4.495 0.074 1.00 0.00 C ATOM 443 CE1 PHE A 29 -11.350 -6.962 0.190 1.00 0.00 C ATOM 444 CE2 PHE A 29 -9.389 -5.688 -0.098 1.00 0.00 C ATOM 445 CZ PHE A 29 -10.011 -6.896 -0.037 1.00 0.00 C ATOM 0 H PHE A 29 -11.634 -2.399 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.937 -3.919 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.601 -2.427 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.789 -3.309 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.164 -5.821 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.647 -3.535 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.843 -7.922 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.325 -5.636 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.441 -7.804 -0.169 1.00 0.00 H new ATOM 455 N ASP A 30 -13.774 -1.107 0.776 1.00 0.00 N ATOM 456 CA ASP A 30 -14.552 0.005 1.295 1.00 0.00 C ATOM 457 C ASP A 30 -13.798 0.650 2.460 1.00 0.00 C ATOM 458 O ASP A 30 -13.724 1.874 2.555 1.00 0.00 O ATOM 459 CB ASP A 30 -15.911 -0.467 1.816 1.00 0.00 C ATOM 460 CG ASP A 30 -16.747 0.610 2.511 1.00 0.00 C ATOM 461 OD1 ASP A 30 -17.029 1.670 1.935 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.117 0.320 3.712 1.00 0.00 O ATOM 0 H ASP A 30 -12.847 -1.208 1.188 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.705 0.716 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.484 -0.868 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.750 -1.288 2.515 1.00 0.00 H new ATOM 468 N SER A 31 -13.256 -0.204 3.317 1.00 0.00 N ATOM 469 CA SER A 31 -12.510 0.268 4.472 1.00 0.00 C ATOM 470 C SER A 31 -11.630 1.455 4.077 1.00 0.00 C ATOM 471 O SER A 31 -11.213 1.568 2.926 1.00 0.00 O ATOM 472 CB SER A 31 -11.654 -0.851 5.068 1.00 0.00 C ATOM 473 OG SER A 31 -11.853 -2.092 4.395 1.00 0.00 O ATOM 0 H SER A 31 -13.319 -1.219 3.235 1.00 0.00 H new ATOM 0 HA SER A 31 -13.222 0.589 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.602 -0.572 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.895 -0.969 6.124 1.00 0.00 H new ATOM 0 HG SER A 31 -11.510 -2.026 3.479 1.00 0.00 H new ATOM 479 N ASP A 32 -11.374 2.311 5.055 1.00 0.00 N ATOM 480 CA ASP A 32 -10.551 3.487 4.825 1.00 0.00 C ATOM 481 C ASP A 32 -9.078 3.116 5.007 1.00 0.00 C ATOM 482 O ASP A 32 -8.475 3.440 6.029 1.00 0.00 O ATOM 483 CB ASP A 32 -10.887 4.597 5.822 1.00 0.00 C ATOM 484 CG ASP A 32 -10.223 5.947 5.534 1.00 0.00 C ATOM 485 OD1 ASP A 32 -10.615 6.665 4.603 1.00 0.00 O ATOM 486 OD2 ASP A 32 -9.252 6.256 6.324 1.00 0.00 O ATOM 0 H ASP A 32 -11.722 2.214 6.009 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.744 3.842 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.968 4.736 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.594 4.270 6.820 1.00 0.00 H new ATOM 492 N ILE A 33 -8.542 2.443 4.001 1.00 0.00 N ATOM 493 CA ILE A 33 -7.151 2.024 4.037 1.00 0.00 C ATOM 494 C ILE A 33 -6.256 3.212 3.677 1.00 0.00 C ATOM 495 O ILE A 33 -6.640 4.063 2.877 1.00 0.00 O ATOM 496 CB ILE A 33 -6.936 0.800 3.145 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.950 -0.299 3.470 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.494 0.297 3.242 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.711 -0.731 2.215 1.00 0.00 C ATOM 0 H ILE A 33 -9.046 2.177 3.155 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.874 1.708 5.043 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.104 1.097 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.435 -1.158 3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.654 0.061 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.368 -0.574 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.812 1.085 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.274 0.021 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.425 -1.513 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.244 0.125 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.007 -1.113 1.476 1.00 0.00 H new ATOM 511 N GLN A 34 -5.079 3.230 4.285 1.00 0.00 N ATOM 512 CA GLN A 34 -4.126 4.300 4.039 1.00 0.00 C ATOM 513 C GLN A 34 -2.725 3.723 3.823 1.00 0.00 C ATOM 514 O GLN A 34 -2.369 2.709 4.419 1.00 0.00 O ATOM 515 CB GLN A 34 -4.131 5.313 5.184 1.00 0.00 C ATOM 516 CG GLN A 34 -2.738 5.451 5.801 1.00 0.00 C ATOM 517 CD GLN A 34 -2.712 6.557 6.858 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.993 7.767 6.381 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 -2.455 6.328 8.027 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.763 2.521 4.947 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.425 4.826 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.467 6.282 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.842 4.999 5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.441 4.504 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.011 5.673 5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.248 5.375 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.447 7.089 8.706 1.00 0.00 H new ATOM 528 N LEU A 35 -1.969 4.395 2.967 1.00 0.00 N ATOM 529 CA LEU A 35 -0.615 3.963 2.666 1.00 0.00 C ATOM 530 C LEU A 35 0.371 4.734 3.545 1.00 0.00 C ATOM 531 O LEU A 35 0.232 5.942 3.727 1.00 0.00 O ATOM 532 CB LEU A 35 -0.333 4.091 1.168 1.00 0.00 C ATOM 533 CG LEU A 35 0.616 3.049 0.571 1.00 0.00 C ATOM 534 CD1 LEU A 35 1.369 3.619 -0.634 1.00 0.00 C ATOM 535 CD2 LEU A 35 1.569 2.504 1.637 1.00 0.00 C ATOM 0 H LEU A 35 -2.269 5.235 2.473 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.492 2.906 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.282 4.037 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.082 5.081 0.980 1.00 0.00 H new ATOM 0 HG LEU A 35 0.021 2.210 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.036 2.858 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.655 3.920 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.953 4.485 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.233 1.765 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.161 3.322 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.993 2.036 2.435 1.00 0.00 H new ATOM 547 N GLU A 36 1.345 4.004 4.068 1.00 0.00 N ATOM 548 CA GLU A 36 2.354 4.605 4.925 1.00 0.00 C ATOM 549 C GLU A 36 3.749 4.128 4.517 1.00 0.00 C ATOM 550 O GLU A 36 3.907 3.013 4.022 1.00 0.00 O ATOM 551 CB GLU A 36 2.077 4.296 6.397 1.00 0.00 C ATOM 552 CG GLU A 36 3.277 4.666 7.270 1.00 0.00 C ATOM 553 CD GLU A 36 3.084 4.173 8.706 1.00 0.00 C ATOM 554 OE1 GLU A 36 3.303 2.985 8.987 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.694 5.073 9.543 1.00 0.00 O ATOM 0 H GLU A 36 1.457 3.002 3.915 1.00 0.00 H new ATOM 0 HA GLU A 36 2.311 5.687 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.197 4.848 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.851 3.236 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.184 4.230 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.413 5.748 7.268 1.00 0.00 H new ATOM 563 N TYR A 37 4.725 4.995 4.739 1.00 0.00 N ATOM 564 CA TYR A 37 6.102 4.676 4.402 1.00 0.00 C ATOM 565 C TYR A 37 7.078 5.501 5.244 1.00 0.00 C ATOM 566 O TYR A 37 7.216 6.705 5.038 1.00 0.00 O ATOM 567 CB TYR A 37 6.272 5.054 2.929 1.00 0.00 C ATOM 568 CG TYR A 37 7.699 4.880 2.404 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.527 3.927 2.960 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.156 5.675 1.372 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.869 3.763 2.466 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.498 5.511 0.878 1.00 0.00 C ATOM 573 CZ TYR A 37 10.289 4.563 1.448 1.00 0.00 C ATOM 574 OH TYR A 37 11.557 4.407 0.981 1.00 0.00 O ATOM 0 H TYR A 37 4.590 5.919 5.149 1.00 0.00 H new ATOM 0 HA TYR A 37 6.310 3.623 4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.597 4.445 2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.970 6.092 2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.168 3.304 3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.507 6.420 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.528 3.022 2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.869 6.127 0.072 1.00 0.00 H new ATOM 0 HH TYR A 37 11.719 5.044 0.254 1.00 0.00 H new ATOM 584 N ASN A 38 7.730 4.818 6.173 1.00 0.00 N ATOM 585 CA ASN A 38 8.688 5.472 7.047 1.00 0.00 C ATOM 586 C ASN A 38 8.039 6.705 7.679 1.00 0.00 C ATOM 587 O ASN A 38 8.621 7.789 7.674 1.00 0.00 O ATOM 588 CB ASN A 38 9.920 5.935 6.265 1.00 0.00 C ATOM 589 CG ASN A 38 9.535 6.950 5.188 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.081 8.047 5.466 1.00 0.00 O ATOM 591 ND2 ASN A 38 9.742 6.524 3.946 1.00 0.00 N ATOM 0 H ASN A 38 7.614 3.818 6.339 1.00 0.00 H new ATOM 0 HA ASN A 38 8.992 4.755 7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.643 6.381 6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.406 5.076 5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.517 7.128 3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.125 5.593 3.783 1.00 0.00 H new ATOM 598 N GLY A 39 6.842 6.497 8.208 1.00 0.00 N ATOM 599 CA GLY A 39 6.108 7.578 8.843 1.00 0.00 C ATOM 600 C GLY A 39 5.420 8.460 7.799 1.00 0.00 C ATOM 601 O GLY A 39 4.786 9.458 8.144 1.00 0.00 O ATOM 0 H GLY A 39 6.363 5.597 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.363 7.166 9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.789 8.182 9.443 1.00 0.00 H new ATOM 605 N LYS A 40 5.567 8.062 6.545 1.00 0.00 N ATOM 606 CA LYS A 40 4.967 8.803 5.449 1.00 0.00 C ATOM 607 C LYS A 40 3.642 8.146 5.058 1.00 0.00 C ATOM 608 O LYS A 40 3.612 7.261 4.205 1.00 0.00 O ATOM 609 CB LYS A 40 5.954 8.934 4.287 1.00 0.00 C ATOM 610 CG LYS A 40 6.155 10.402 3.901 1.00 0.00 C ATOM 611 CD LYS A 40 7.234 11.054 4.768 1.00 0.00 C ATOM 612 CE LYS A 40 7.473 12.504 4.345 1.00 0.00 C ATOM 613 NZ LYS A 40 6.825 13.435 5.296 1.00 0.00 N ATOM 0 H LYS A 40 6.093 7.235 6.263 1.00 0.00 H new ATOM 0 HA LYS A 40 4.738 9.822 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.911 8.493 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.585 8.375 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.437 10.470 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.216 10.943 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.933 11.022 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.163 10.489 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.543 12.705 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.078 12.666 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.997 14.415 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.801 13.254 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.221 13.291 6.247 1.00 0.00 H new ATOM 627 N LYS A 41 2.579 8.604 5.701 1.00 0.00 N ATOM 628 CA LYS A 41 1.254 8.072 5.432 1.00 0.00 C ATOM 629 C LYS A 41 0.610 8.867 4.295 1.00 0.00 C ATOM 630 O LYS A 41 0.861 10.063 4.149 1.00 0.00 O ATOM 631 CB LYS A 41 0.417 8.043 6.713 1.00 0.00 C ATOM 632 CG LYS A 41 1.179 7.362 7.851 1.00 0.00 C ATOM 633 CD LYS A 41 2.117 8.350 8.550 1.00 0.00 C ATOM 634 CE LYS A 41 1.815 8.425 10.049 1.00 0.00 C ATOM 635 NZ LYS A 41 2.207 7.166 10.720 1.00 0.00 N ATOM 0 H LYS A 41 2.608 9.338 6.408 1.00 0.00 H new ATOM 0 HA LYS A 41 1.321 7.036 5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.155 9.060 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.518 7.514 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.472 6.953 8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.755 6.524 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.152 8.044 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.008 9.338 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.352 9.263 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.752 8.610 10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.407 6.806 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.475 6.460 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.015 7.345 11.349 1.00 0.00 H new ATOM 649 N VAL A 42 -0.208 8.172 3.518 1.00 0.00 N ATOM 650 CA VAL A 42 -0.889 8.799 2.398 1.00 0.00 C ATOM 651 C VAL A 42 -2.216 8.081 2.147 1.00 0.00 C ATOM 652 O VAL A 42 -2.670 7.299 2.981 1.00 0.00 O ATOM 653 CB VAL A 42 0.025 8.812 1.170 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.498 8.752 1.582 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.325 7.669 0.215 1.00 0.00 C ATOM 0 H VAL A 42 -0.414 7.181 3.642 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.120 9.840 2.626 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.136 9.751 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.126 8.763 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.737 9.614 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.682 7.836 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.339 7.701 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.206 6.716 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.358 7.775 -0.117 1.00 0.00 H new ATOM 665 N ASN A 43 -2.802 8.372 0.995 1.00 0.00 N ATOM 666 CA ASN A 43 -4.069 7.764 0.624 1.00 0.00 C ATOM 667 C ASN A 43 -3.803 6.518 -0.222 1.00 0.00 C ATOM 668 O ASN A 43 -3.284 6.617 -1.333 1.00 0.00 O ATOM 669 CB ASN A 43 -4.920 8.727 -0.206 1.00 0.00 C ATOM 670 CG ASN A 43 -6.346 8.810 0.342 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.083 7.730 0.095 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.751 9.787 0.947 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.423 9.021 0.306 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.602 7.510 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.466 9.718 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.944 8.395 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.133 10.583 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.708 9.809 1.298 1.00 0.00 H new ATOM 679 N LEU A 44 -4.171 5.374 0.334 1.00 0.00 N ATOM 680 CA LEU A 44 -3.979 4.109 -0.355 1.00 0.00 C ATOM 681 C LEU A 44 -5.029 3.971 -1.459 1.00 0.00 C ATOM 682 O LEU A 44 -5.294 2.868 -1.934 1.00 0.00 O ATOM 683 CB LEU A 44 -3.978 2.949 0.642 1.00 0.00 C ATOM 684 CG LEU A 44 -3.919 1.545 0.037 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.146 1.548 -1.283 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.342 0.541 1.037 1.00 0.00 C ATOM 0 H LEU A 44 -4.602 5.296 1.255 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.002 4.083 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.126 3.071 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.877 3.022 1.255 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.937 1.227 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.119 0.538 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.639 2.213 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.128 1.895 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.311 -0.449 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.333 0.844 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.971 0.512 1.927 1.00 0.00 H new ATOM 698 N LYS A 45 -5.599 5.106 -1.835 1.00 0.00 N ATOM 699 CA LYS A 45 -6.615 5.125 -2.874 1.00 0.00 C ATOM 700 C LYS A 45 -6.160 6.044 -4.010 1.00 0.00 C ATOM 701 O LYS A 45 -6.924 6.321 -4.933 1.00 0.00 O ATOM 702 CB LYS A 45 -7.976 5.503 -2.286 1.00 0.00 C ATOM 703 CG LYS A 45 -8.097 5.031 -0.835 1.00 0.00 C ATOM 704 CD LYS A 45 -9.000 3.802 -0.731 1.00 0.00 C ATOM 705 CE LYS A 45 -10.303 4.139 -0.003 1.00 0.00 C ATOM 706 NZ LYS A 45 -11.452 3.481 -0.665 1.00 0.00 N ATOM 0 H LYS A 45 -5.377 6.019 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.742 4.130 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.109 6.584 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.771 5.058 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.108 4.794 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.500 5.836 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.224 3.425 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.478 3.006 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.240 3.815 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.452 5.219 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.324 4.006 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.300 3.470 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.541 2.505 -0.317 1.00 0.00 H new ATOM 720 N SER A 46 -4.917 6.491 -3.904 1.00 0.00 N ATOM 721 CA SER A 46 -4.350 7.373 -4.910 1.00 0.00 C ATOM 722 C SER A 46 -2.957 6.884 -5.311 1.00 0.00 C ATOM 723 O SER A 46 -2.207 6.384 -4.474 1.00 0.00 O ATOM 724 CB SER A 46 -4.281 8.815 -4.402 1.00 0.00 C ATOM 725 OG SER A 46 -4.213 9.755 -5.472 1.00 0.00 O ATOM 0 H SER A 46 -4.287 6.259 -3.137 1.00 0.00 H new ATOM 0 HA SER A 46 -4.999 7.355 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.157 9.026 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.408 8.932 -3.760 1.00 0.00 H new ATOM 0 HG SER A 46 -4.636 10.595 -5.197 1.00 0.00 H new ATOM 731 N ILE A 47 -2.654 7.047 -6.590 1.00 0.00 N ATOM 732 CA ILE A 47 -1.363 6.628 -7.111 1.00 0.00 C ATOM 733 C ILE A 47 -0.346 7.753 -6.907 1.00 0.00 C ATOM 734 O ILE A 47 0.716 7.537 -6.326 1.00 0.00 O ATOM 735 CB ILE A 47 -1.495 6.174 -8.567 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.922 4.769 -8.757 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.855 7.189 -9.517 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.589 3.772 -7.807 1.00 0.00 C ATOM 0 H ILE A 47 -3.279 7.463 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.994 5.761 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.555 6.125 -8.816 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.069 4.449 -9.788 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.153 4.784 -8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.962 6.843 -10.545 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.350 8.154 -9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.203 7.294 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.163 2.781 -7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.419 4.082 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.660 3.742 -8.005 1.00 0.00 H new ATOM 750 N MET A 48 -0.707 8.930 -7.397 1.00 0.00 N ATOM 751 CA MET A 48 0.161 10.089 -7.276 1.00 0.00 C ATOM 752 C MET A 48 0.909 10.077 -5.942 1.00 0.00 C ATOM 753 O MET A 48 2.036 10.561 -5.854 1.00 0.00 O ATOM 754 CB MET A 48 -0.675 11.367 -7.381 1.00 0.00 C ATOM 755 CG MET A 48 -2.020 11.202 -6.669 1.00 0.00 C ATOM 756 SD MET A 48 -2.408 12.680 -5.747 1.00 0.00 S ATOM 757 CE MET A 48 -2.179 12.078 -4.083 1.00 0.00 C ATOM 0 H MET A 48 -1.589 9.106 -7.879 1.00 0.00 H new ATOM 0 HA MET A 48 0.894 10.056 -8.082 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.127 12.201 -6.943 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.842 11.611 -8.430 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.805 11.002 -7.398 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.983 10.344 -5.998 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.330 12.894 -3.377 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.899 11.285 -3.881 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.168 11.687 -3.974 1.00 0.00 H new ATOM 767 N GLY A 49 0.252 9.518 -4.937 1.00 0.00 N ATOM 768 CA GLY A 49 0.841 9.436 -3.611 1.00 0.00 C ATOM 769 C GLY A 49 1.750 8.211 -3.489 1.00 0.00 C ATOM 770 O GLY A 49 2.931 8.338 -3.172 1.00 0.00 O ATOM 0 H GLY A 49 -0.683 9.117 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.414 10.340 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.052 9.384 -2.861 1.00 0.00 H new ATOM 774 N VAL A 50 1.163 7.051 -3.748 1.00 0.00 N ATOM 775 CA VAL A 50 1.905 5.804 -3.672 1.00 0.00 C ATOM 776 C VAL A 50 3.104 5.870 -4.620 1.00 0.00 C ATOM 777 O VAL A 50 4.122 5.222 -4.384 1.00 0.00 O ATOM 778 CB VAL A 50 0.975 4.624 -3.965 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.737 3.298 -3.899 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.220 4.618 -3.010 1.00 0.00 C ATOM 0 H VAL A 50 0.183 6.949 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 50 2.295 5.652 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 50 0.592 4.741 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.054 2.475 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.540 3.303 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.160 3.171 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.865 3.770 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.135 4.536 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.783 5.544 -3.126 1.00 0.00 H new ATOM 790 N MET A 51 2.942 6.658 -5.673 1.00 0.00 N ATOM 791 CA MET A 51 3.999 6.818 -6.658 1.00 0.00 C ATOM 792 C MET A 51 5.056 7.810 -6.172 1.00 0.00 C ATOM 793 O MET A 51 6.251 7.521 -6.215 1.00 0.00 O ATOM 794 CB MET A 51 3.398 7.314 -7.975 1.00 0.00 C ATOM 795 CG MET A 51 2.449 6.273 -8.572 1.00 0.00 C ATOM 796 SD MET A 51 2.346 6.483 -10.341 1.00 0.00 S ATOM 797 CE MET A 51 4.080 6.429 -10.761 1.00 0.00 C ATOM 0 H MET A 51 2.095 7.193 -5.866 1.00 0.00 H new ATOM 0 HA MET A 51 4.479 5.851 -6.809 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.860 8.246 -7.805 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.197 7.532 -8.684 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.803 5.269 -8.337 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.459 6.374 -8.127 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.201 5.987 -11.750 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.485 7.441 -10.764 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.614 5.826 -10.026 1.00 0.00 H new ATOM 807 N SER A 52 4.578 8.961 -5.721 1.00 0.00 N ATOM 808 CA SER A 52 5.468 9.999 -5.228 1.00 0.00 C ATOM 809 C SER A 52 5.957 9.645 -3.823 1.00 0.00 C ATOM 810 O SER A 52 6.627 10.446 -3.174 1.00 0.00 O ATOM 811 CB SER A 52 4.772 11.362 -5.220 1.00 0.00 C ATOM 812 OG SER A 52 5.704 12.435 -5.107 1.00 0.00 O ATOM 0 H SER A 52 3.586 9.197 -5.687 1.00 0.00 H new ATOM 0 HA SER A 52 6.325 10.062 -5.899 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.193 11.479 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.067 11.405 -4.390 1.00 0.00 H new ATOM 0 HG SER A 52 6.377 12.214 -4.429 1.00 0.00 H new ATOM 818 N LEU A 53 5.602 8.442 -3.393 1.00 0.00 N ATOM 819 CA LEU A 53 5.997 7.972 -2.077 1.00 0.00 C ATOM 820 C LEU A 53 7.391 7.346 -2.160 1.00 0.00 C ATOM 821 O LEU A 53 7.852 6.719 -1.208 1.00 0.00 O ATOM 822 CB LEU A 53 4.934 7.032 -1.503 1.00 0.00 C ATOM 823 CG LEU A 53 3.890 7.678 -0.591 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.213 7.419 0.882 1.00 0.00 C ATOM 825 CD2 LEU A 53 3.747 9.171 -0.892 1.00 0.00 C ATOM 0 H LEU A 53 5.045 7.780 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 53 6.063 8.806 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.415 6.552 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.438 6.244 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 53 2.925 7.215 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.455 7.889 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.223 6.345 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.191 7.838 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.998 9.606 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.704 9.667 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.436 9.305 -1.928 1.00 0.00 H new ATOM 837 N GLY A 54 8.024 7.540 -3.307 1.00 0.00 N ATOM 838 CA GLY A 54 9.355 7.002 -3.527 1.00 0.00 C ATOM 839 C GLY A 54 9.537 5.671 -2.797 1.00 0.00 C ATOM 840 O GLY A 54 10.537 5.466 -2.109 1.00 0.00 O ATOM 0 H GLY A 54 7.640 8.063 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.522 6.861 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.102 7.716 -3.180 1.00 0.00 H new ATOM 844 N VAL A 55 8.555 4.798 -2.970 1.00 0.00 N ATOM 845 CA VAL A 55 8.593 3.491 -2.336 1.00 0.00 C ATOM 846 C VAL A 55 9.832 2.733 -2.817 1.00 0.00 C ATOM 847 O VAL A 55 9.716 1.688 -3.457 1.00 0.00 O ATOM 848 CB VAL A 55 7.289 2.739 -2.608 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.255 1.410 -1.851 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.075 3.602 -2.256 1.00 0.00 C ATOM 0 H VAL A 55 7.727 4.971 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 55 8.673 3.593 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 55 7.245 2.518 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.318 0.895 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.091 0.788 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.333 1.599 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.161 3.044 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.111 3.868 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.087 4.510 -2.859 1.00 0.00 H new ATOM 860 N GLY A 56 10.990 3.287 -2.490 1.00 0.00 N ATOM 861 CA GLY A 56 12.249 2.676 -2.881 1.00 0.00 C ATOM 862 C GLY A 56 12.372 1.261 -2.311 1.00 0.00 C ATOM 863 O GLY A 56 11.661 0.902 -1.373 1.00 0.00 O ATOM 0 H GLY A 56 11.083 4.153 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.318 2.641 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.079 3.288 -2.528 1.00 0.00 H new ATOM 867 N LYS A 57 13.279 0.496 -2.900 1.00 0.00 N ATOM 868 CA LYS A 57 13.503 -0.871 -2.463 1.00 0.00 C ATOM 869 C LYS A 57 14.204 -0.858 -1.103 1.00 0.00 C ATOM 870 O LYS A 57 14.795 0.149 -0.715 1.00 0.00 O ATOM 871 CB LYS A 57 14.258 -1.659 -3.535 1.00 0.00 C ATOM 872 CG LYS A 57 13.874 -3.141 -3.499 1.00 0.00 C ATOM 873 CD LYS A 57 14.837 -3.977 -4.342 1.00 0.00 C ATOM 874 CE LYS A 57 15.565 -5.011 -3.480 1.00 0.00 C ATOM 875 NZ LYS A 57 15.967 -4.415 -2.186 1.00 0.00 N ATOM 0 H LYS A 57 13.868 0.797 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 57 12.553 -1.389 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.036 -1.246 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.332 -1.554 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.883 -3.498 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.857 -3.266 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.286 -4.483 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.564 -3.324 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.917 -5.870 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.445 -5.378 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.794 -4.922 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.209 -3.413 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.180 -4.490 -1.510 1.00 0.00 H new ATOM 889 N ASP A 58 14.113 -1.988 -0.416 1.00 0.00 N ATOM 890 CA ASP A 58 14.732 -2.119 0.893 1.00 0.00 C ATOM 891 C ASP A 58 14.042 -1.169 1.875 1.00 0.00 C ATOM 892 O ASP A 58 14.463 -1.047 3.025 1.00 0.00 O ATOM 893 CB ASP A 58 16.216 -1.750 0.841 1.00 0.00 C ATOM 894 CG ASP A 58 16.824 -1.330 2.180 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.076 -0.140 2.423 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.045 -2.297 3.006 1.00 0.00 O ATOM 0 H ASP A 58 13.621 -2.820 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 58 14.630 -3.156 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.774 -2.604 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.348 -0.936 0.128 1.00 0.00 H new ATOM 902 N ALA A 59 12.996 -0.521 1.386 1.00 0.00 N ATOM 903 CA ALA A 59 12.244 0.413 2.206 1.00 0.00 C ATOM 904 C ALA A 59 11.015 -0.294 2.782 1.00 0.00 C ATOM 905 O ALA A 59 10.354 -1.063 2.086 1.00 0.00 O ATOM 906 CB ALA A 59 11.873 1.641 1.371 1.00 0.00 C ATOM 0 H ALA A 59 12.651 -0.624 0.432 1.00 0.00 H new ATOM 0 HA ALA A 59 12.848 0.759 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.309 2.342 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.781 2.124 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.264 1.333 0.521 1.00 0.00 H new ATOM 912 N GLU A 60 10.745 -0.007 4.047 1.00 0.00 N ATOM 913 CA GLU A 60 9.607 -0.605 4.724 1.00 0.00 C ATOM 914 C GLU A 60 8.393 0.323 4.641 1.00 0.00 C ATOM 915 O GLU A 60 8.441 1.457 5.112 1.00 0.00 O ATOM 916 CB GLU A 60 9.947 -0.936 6.178 1.00 0.00 C ATOM 917 CG GLU A 60 11.110 -1.927 6.258 1.00 0.00 C ATOM 918 CD GLU A 60 11.607 -2.074 7.698 1.00 0.00 C ATOM 919 OE1 GLU A 60 11.724 -1.072 8.419 1.00 0.00 O ATOM 920 OE2 GLU A 60 11.875 -3.283 8.062 1.00 0.00 O ATOM 0 H GLU A 60 11.295 0.632 4.621 1.00 0.00 H new ATOM 0 HA GLU A 60 9.359 -1.540 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.207 -0.022 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.072 -1.356 6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.792 -2.898 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.926 -1.587 5.621 1.00 0.00 H new ATOM 928 N ILE A 61 7.332 -0.196 4.039 1.00 0.00 N ATOM 929 CA ILE A 61 6.108 0.570 3.889 1.00 0.00 C ATOM 930 C ILE A 61 5.037 0.001 4.822 1.00 0.00 C ATOM 931 O ILE A 61 5.247 -1.030 5.459 1.00 0.00 O ATOM 932 CB ILE A 61 5.682 0.618 2.420 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.677 -0.783 1.806 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.558 1.589 1.627 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.553 -0.928 0.779 1.00 0.00 C ATOM 0 H ILE A 61 7.296 -1.138 3.650 1.00 0.00 H new ATOM 0 HA ILE A 61 6.269 1.607 4.184 1.00 0.00 H new ATOM 0 HB ILE A 61 4.660 0.994 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.637 -0.978 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.554 -1.528 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.234 1.604 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.467 2.589 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.598 1.266 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.572 -1.933 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.592 -0.756 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.692 -0.198 -0.018 1.00 0.00 H new ATOM 947 N THR A 62 3.911 0.698 4.874 1.00 0.00 N ATOM 948 CA THR A 62 2.807 0.275 5.719 1.00 0.00 C ATOM 949 C THR A 62 1.475 0.737 5.126 1.00 0.00 C ATOM 950 O THR A 62 1.433 1.692 4.352 1.00 0.00 O ATOM 951 CB THR A 62 3.061 0.809 7.130 1.00 0.00 C ATOM 952 OG1 THR A 62 4.248 0.138 7.546 1.00 0.00 O ATOM 953 CG2 THR A 62 2.001 0.344 8.131 1.00 0.00 C ATOM 0 H THR A 62 3.740 1.553 4.345 1.00 0.00 H new ATOM 0 HA THR A 62 2.744 -0.812 5.773 1.00 0.00 H new ATOM 0 HB THR A 62 3.086 1.898 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.487 0.427 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.228 0.751 9.116 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.020 0.695 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.999 -0.745 8.179 1.00 0.00 H new ATOM 961 N ILE A 63 0.419 0.036 5.510 1.00 0.00 N ATOM 962 CA ILE A 63 -0.912 0.362 5.027 1.00 0.00 C ATOM 963 C ILE A 63 -1.911 0.256 6.180 1.00 0.00 C ATOM 964 O ILE A 63 -1.880 -0.707 6.946 1.00 0.00 O ATOM 965 CB ILE A 63 -1.271 -0.509 3.821 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.494 -1.964 4.242 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.215 -0.387 2.721 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.905 -2.430 3.879 1.00 0.00 C ATOM 0 H ILE A 63 0.458 -0.757 6.150 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.946 1.392 4.671 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.211 -0.145 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.759 -2.604 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.340 -2.063 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.495 -1.016 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.148 0.651 2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.752 -0.708 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.037 -3.467 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.637 -1.803 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.048 -2.353 2.801 1.00 0.00 H new ATOM 980 N TYR A 64 -2.773 1.258 6.269 1.00 0.00 N ATOM 981 CA TYR A 64 -3.779 1.290 7.317 1.00 0.00 C ATOM 982 C TYR A 64 -5.170 0.997 6.751 1.00 0.00 C ATOM 983 O TYR A 64 -5.395 1.129 5.548 1.00 0.00 O ATOM 984 CB TYR A 64 -3.759 2.714 7.878 1.00 0.00 C ATOM 985 CG TYR A 64 -2.486 3.059 8.655 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.266 3.075 8.010 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.559 3.353 10.002 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.069 3.400 8.742 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.363 3.678 10.733 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.177 3.685 10.067 1.00 0.00 C ATOM 991 OH TYR A 64 0.954 3.991 10.759 1.00 0.00 O ATOM 0 H TYR A 64 -2.796 2.054 5.632 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.565 0.538 8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.872 3.419 7.055 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.620 2.848 8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.209 2.844 6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.514 3.339 10.507 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.892 3.417 8.250 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.406 3.911 11.787 1.00 0.00 H new ATOM 0 HH TYR A 64 1.393 4.763 10.344 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.066 0.605 7.645 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.429 0.291 7.249 1.00 0.00 C ATOM 1003 C ALA A 65 -8.358 0.472 8.451 1.00 0.00 C ATOM 1004 O ALA A 65 -8.148 -0.136 9.499 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.482 -1.127 6.678 1.00 0.00 C ATOM 0 H ALA A 65 -5.875 0.498 8.641 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.767 0.969 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.504 -1.362 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.827 -1.194 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.152 -1.837 7.436 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.366 1.311 8.259 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.328 1.578 9.314 1.00 0.00 C ATOM 1013 C ASP A 66 -11.737 1.603 8.719 1.00 0.00 C ATOM 1014 O ASP A 66 -12.219 2.654 8.299 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.066 2.938 9.966 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.652 3.105 11.369 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.840 4.231 11.853 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -10.924 2.003 11.982 1.00 0.00 O ATOM 0 H ASP A 66 -9.537 1.814 7.388 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.233 0.793 10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.989 3.098 10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.474 3.717 9.323 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.359 0.433 8.703 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.703 0.307 8.167 1.00 0.00 C ATOM 1026 C GLY A 67 -14.337 -1.022 8.582 1.00 0.00 C ATOM 1027 O GLY A 67 -14.161 -1.471 9.715 1.00 0.00 O ATOM 0 H GLY A 67 -11.956 -0.436 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.319 1.134 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.672 0.375 7.080 1.00 0.00 H new ATOM 1031 N SER A 68 -15.063 -1.614 7.646 1.00 0.00 N ATOM 1032 CA SER A 68 -15.725 -2.882 7.901 1.00 0.00 C ATOM 1033 C SER A 68 -14.905 -4.029 7.306 1.00 0.00 C ATOM 1034 O SER A 68 -14.915 -5.141 7.831 1.00 0.00 O ATOM 1035 CB SER A 68 -17.143 -2.888 7.327 1.00 0.00 C ATOM 1036 OG SER A 68 -17.939 -3.932 7.884 1.00 0.00 O ATOM 0 H SER A 68 -15.208 -1.239 6.709 1.00 0.00 H new ATOM 0 HA SER A 68 -15.799 -3.019 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.618 -1.926 7.522 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.096 -3.006 6.244 1.00 0.00 H new ATOM 0 HG SER A 68 -18.837 -3.902 7.494 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.217 -3.719 6.217 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.394 -4.709 5.544 1.00 0.00 C ATOM 1044 C ASP A 69 -11.918 -4.397 5.798 1.00 0.00 C ATOM 1045 O ASP A 69 -11.038 -5.082 5.278 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.630 -4.686 4.032 1.00 0.00 C ATOM 1047 CG ASP A 69 -14.581 -3.592 3.543 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -14.566 -2.460 4.049 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.373 -3.945 2.588 1.00 0.00 O ATOM 0 H ASP A 69 -14.213 -2.796 5.784 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.660 -5.691 5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.670 -4.562 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.026 -5.654 3.726 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.693 -3.363 6.594 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.339 -2.952 6.923 1.00 0.00 C ATOM 1057 C GLU A 70 -9.406 -4.165 6.942 1.00 0.00 C ATOM 1058 O GLU A 70 -8.501 -4.268 6.116 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.300 -2.209 8.260 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.446 -2.657 9.169 1.00 0.00 C ATOM 1061 CD GLU A 70 -11.222 -2.184 10.607 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -11.231 -0.972 10.869 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -11.037 -3.125 11.468 1.00 0.00 O ATOM 0 H GLU A 70 -12.426 -2.797 7.021 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.992 -2.263 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.346 -2.392 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.368 -1.135 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.389 -2.259 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.528 -3.744 9.148 1.00 0.00 H new ATOM 1071 N SER A 71 -9.659 -5.051 7.893 1.00 0.00 N ATOM 1072 CA SER A 71 -8.854 -6.252 8.030 1.00 0.00 C ATOM 1073 C SER A 71 -8.805 -7.005 6.699 1.00 0.00 C ATOM 1074 O SER A 71 -7.739 -7.435 6.263 1.00 0.00 O ATOM 1075 CB SER A 71 -9.400 -7.159 9.134 1.00 0.00 C ATOM 1076 OG SER A 71 -8.575 -7.145 10.296 1.00 0.00 O ATOM 0 H SER A 71 -10.411 -4.961 8.577 1.00 0.00 H new ATOM 0 HA SER A 71 -7.843 -5.955 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.407 -6.838 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.479 -8.179 8.758 1.00 0.00 H new ATOM 0 HG SER A 71 -8.525 -6.233 10.651 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.974 -7.142 6.091 1.00 0.00 N ATOM 1083 CA ASP A 72 -10.079 -7.836 4.819 1.00 0.00 C ATOM 1084 C ASP A 72 -9.236 -7.103 3.773 1.00 0.00 C ATOM 1085 O ASP A 72 -8.643 -7.732 2.898 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.526 -7.864 4.325 1.00 0.00 C ATOM 1087 CG ASP A 72 -12.280 -9.167 4.603 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -13.394 -9.156 5.145 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -11.667 -10.241 4.234 1.00 0.00 O ATOM 0 H ASP A 72 -10.857 -6.784 6.456 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.727 -8.858 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.069 -7.041 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.531 -7.681 3.250 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.212 -5.785 3.897 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.452 -4.959 2.974 1.00 0.00 C ATOM 1097 C ALA A 73 -6.957 -5.166 3.224 1.00 0.00 C ATOM 1098 O ALA A 73 -6.159 -5.152 2.287 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.873 -3.496 3.132 1.00 0.00 C ATOM 0 H ALA A 73 -9.707 -5.268 4.623 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.657 -5.247 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.303 -2.877 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.937 -3.398 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.680 -3.170 4.154 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.621 -5.354 4.492 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.236 -5.563 4.877 1.00 0.00 C ATOM 1107 C ILE A 74 -4.782 -6.945 4.401 1.00 0.00 C ATOM 1108 O ILE A 74 -3.620 -7.133 4.048 1.00 0.00 O ATOM 1109 CB ILE A 74 -5.058 -5.341 6.380 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.044 -4.229 6.653 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.683 -6.646 7.086 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.664 -3.118 7.502 1.00 0.00 C ATOM 0 H ILE A 74 -7.285 -5.366 5.266 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.591 -4.830 4.392 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.012 -5.015 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.175 -4.642 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.690 -3.815 5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.562 -6.461 8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.472 -7.382 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.747 -7.026 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.922 -2.340 7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.517 -2.691 6.975 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.995 -3.530 8.455 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.724 -7.876 4.408 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.436 -9.235 3.981 1.00 0.00 C ATOM 1126 C GLN A 75 -5.244 -9.286 2.464 1.00 0.00 C ATOM 1127 O GLN A 75 -4.491 -10.117 1.958 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.542 -10.196 4.426 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.467 -10.458 5.931 1.00 0.00 C ATOM 1130 CD GLN A 75 -5.056 -10.885 6.344 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.265 -9.875 6.693 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.710 -12.056 6.345 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.687 -7.716 4.703 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.509 -9.555 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.516 -9.777 4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.451 -11.137 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.752 -9.558 6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.181 -11.235 6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.369 -12.783 6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.762 -12.307 6.626 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.938 -8.387 1.780 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.853 -8.320 0.332 1.00 0.00 C ATOM 1143 C ALA A 76 -4.557 -7.609 -0.065 1.00 0.00 C ATOM 1144 O ALA A 76 -3.881 -8.023 -1.007 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.095 -7.617 -0.220 1.00 0.00 C ATOM 0 H ALA A 76 -6.561 -7.699 2.203 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.826 -9.321 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.032 -7.566 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.986 -8.175 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.153 -6.608 0.187 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.249 -6.552 0.671 1.00 0.00 N ATOM 1152 CA ILE A 77 -3.047 -5.780 0.407 1.00 0.00 C ATOM 1153 C ILE A 77 -1.837 -6.717 0.401 1.00 0.00 C ATOM 1154 O ILE A 77 -1.264 -6.991 -0.652 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.924 -4.623 1.400 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.530 -3.341 0.825 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.470 -4.425 1.835 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.878 -3.031 1.478 1.00 0.00 C ATOM 0 H ILE A 77 -4.811 -6.212 1.451 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.099 -5.318 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.495 -4.877 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.845 -2.508 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.659 -3.447 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.411 -3.596 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.106 -5.335 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.856 -4.203 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.287 -2.115 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.568 -3.855 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.741 -2.902 2.552 1.00 0.00 H new ATOM 1170 N SER A 78 -1.482 -7.181 1.590 1.00 0.00 N ATOM 1171 CA SER A 78 -0.350 -8.081 1.735 1.00 0.00 C ATOM 1172 C SER A 78 -0.346 -9.103 0.598 1.00 0.00 C ATOM 1173 O SER A 78 0.717 -9.524 0.140 1.00 0.00 O ATOM 1174 CB SER A 78 -0.383 -8.793 3.089 1.00 0.00 C ATOM 1175 OG SER A 78 0.879 -8.745 3.749 1.00 0.00 O ATOM 0 H SER A 78 -1.958 -6.951 2.462 1.00 0.00 H new ATOM 0 HA SER A 78 0.565 -7.491 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.141 -8.332 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.677 -9.833 2.945 1.00 0.00 H new ATOM 0 HG SER A 78 1.041 -7.837 4.079 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.544 -9.474 0.172 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.691 -10.440 -0.904 1.00 0.00 C ATOM 1183 C ASP A 79 -1.202 -9.817 -2.213 1.00 0.00 C ATOM 1184 O ASP A 79 -0.425 -10.429 -2.943 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.156 -10.840 -1.089 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.381 -12.117 -1.901 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.591 -13.069 -1.825 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.433 -12.110 -2.647 1.00 0.00 O ATOM 0 H ASP A 79 -2.423 -9.123 0.553 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.106 -11.323 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.609 -10.968 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.682 -10.020 -1.577 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.678 -8.607 -2.469 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.299 -7.895 -3.678 1.00 0.00 C ATOM 1196 C VAL A 80 0.200 -7.591 -3.636 1.00 0.00 C ATOM 1197 O VAL A 80 0.879 -7.661 -4.659 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.159 -6.639 -3.836 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.800 -5.887 -5.119 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.648 -6.986 -3.802 1.00 0.00 C ATOM 0 H VAL A 80 -2.322 -8.102 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.482 -8.511 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.950 -5.981 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.426 -4.999 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.752 -5.591 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.967 -6.535 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.236 -6.076 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.880 -7.673 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.890 -7.457 -2.849 1.00 0.00 H new ATOM 1210 N LEU A 81 0.672 -7.261 -2.444 1.00 0.00 N ATOM 1211 CA LEU A 81 2.079 -6.948 -2.255 1.00 0.00 C ATOM 1212 C LEU A 81 2.918 -8.191 -2.558 1.00 0.00 C ATOM 1213 O LEU A 81 3.864 -8.129 -3.342 1.00 0.00 O ATOM 1214 CB LEU A 81 2.317 -6.370 -0.859 1.00 0.00 C ATOM 1215 CG LEU A 81 1.693 -4.999 -0.586 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.568 -4.745 0.917 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.476 -3.890 -1.291 1.00 0.00 C ATOM 0 H LEU A 81 0.105 -7.203 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 81 2.394 -6.172 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.930 -7.076 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.392 -6.297 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 81 0.685 -4.994 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.122 -3.765 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.936 -5.512 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.557 -4.777 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.012 -2.927 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.504 -3.884 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.471 -4.068 -2.366 1.00 0.00 H new ATOM 1229 N SER A 82 2.543 -9.289 -1.920 1.00 0.00 N ATOM 1230 CA SER A 82 3.250 -10.545 -2.111 1.00 0.00 C ATOM 1231 C SER A 82 2.907 -11.135 -3.480 1.00 0.00 C ATOM 1232 O SER A 82 3.718 -11.843 -4.076 1.00 0.00 O ATOM 1233 CB SER A 82 2.911 -11.542 -1.003 1.00 0.00 C ATOM 1234 OG SER A 82 3.721 -11.353 0.154 1.00 0.00 O ATOM 0 H SER A 82 1.758 -9.336 -1.270 1.00 0.00 H new ATOM 0 HA SER A 82 4.321 -10.345 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.861 -11.438 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.044 -12.557 -1.376 1.00 0.00 H new ATOM 0 HG SER A 82 3.472 -12.008 0.839 1.00 0.00 H new ATOM 1240 N LYS A 83 1.704 -10.822 -3.940 1.00 0.00 N ATOM 1241 CA LYS A 83 1.244 -11.313 -5.228 1.00 0.00 C ATOM 1242 C LYS A 83 2.223 -10.869 -6.318 1.00 0.00 C ATOM 1243 O LYS A 83 2.548 -11.642 -7.218 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.199 -10.876 -5.483 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.189 -11.867 -4.866 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.084 -12.488 -5.941 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.178 -13.353 -5.311 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.831 -14.193 -6.339 1.00 0.00 N ATOM 0 H LYS A 83 1.034 -10.234 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 83 1.229 -12.403 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.362 -9.884 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.376 -10.800 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.644 -12.653 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.805 -11.358 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.539 -11.700 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.480 -13.094 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.747 -13.986 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.920 -12.717 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.571 -14.773 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.259 -13.583 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.123 -14.813 -6.781 1.00 0.00 H new ATOM 1262 N GLU A 84 2.666 -9.626 -6.200 1.00 0.00 N ATOM 1263 CA GLU A 84 3.600 -9.069 -7.163 1.00 0.00 C ATOM 1264 C GLU A 84 5.034 -9.451 -6.792 1.00 0.00 C ATOM 1265 O GLU A 84 5.817 -9.852 -7.653 1.00 0.00 O ATOM 1266 CB GLU A 84 3.445 -7.550 -7.264 1.00 0.00 C ATOM 1267 CG GLU A 84 1.983 -7.136 -7.087 1.00 0.00 C ATOM 1268 CD GLU A 84 1.507 -6.291 -8.271 1.00 0.00 C ATOM 1269 OE1 GLU A 84 2.093 -6.365 -9.362 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.488 -5.537 -8.028 1.00 0.00 O ATOM 0 H GLU A 84 2.395 -8.988 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 84 3.374 -9.489 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.058 -7.067 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.809 -7.207 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.358 -8.024 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.871 -6.570 -6.162 1.00 0.00 H new ATOM 1278 N GLY A 85 5.337 -9.314 -5.510 1.00 0.00 N ATOM 1279 CA GLY A 85 6.663 -9.639 -5.014 1.00 0.00 C ATOM 1280 C GLY A 85 7.463 -8.370 -4.715 1.00 0.00 C ATOM 1281 O GLY A 85 8.694 -8.386 -4.747 1.00 0.00 O ATOM 0 H GLY A 85 4.686 -8.982 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.579 -10.242 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.193 -10.242 -5.751 1.00 0.00 H new ATOM 1285 N LEU A 86 6.734 -7.302 -4.433 1.00 0.00 N ATOM 1286 CA LEU A 86 7.360 -6.027 -4.128 1.00 0.00 C ATOM 1287 C LEU A 86 7.861 -6.040 -2.683 1.00 0.00 C ATOM 1288 O LEU A 86 8.625 -5.166 -2.278 1.00 0.00 O ATOM 1289 CB LEU A 86 6.404 -4.873 -4.438 1.00 0.00 C ATOM 1290 CG LEU A 86 5.887 -4.797 -5.875 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.411 -4.394 -5.907 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.754 -3.863 -6.722 1.00 0.00 C ATOM 0 H LEU A 86 5.714 -7.293 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 86 8.231 -5.869 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.547 -4.948 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.910 -3.936 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 86 5.959 -5.791 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.069 -4.347 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.821 -5.131 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.291 -3.416 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.364 -3.827 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.738 -2.862 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.779 -4.234 -6.739 1.00 0.00 H new ATOM 1304 N THR A 87 7.409 -7.043 -1.944 1.00 0.00 N ATOM 1305 CA THR A 87 7.801 -7.183 -0.551 1.00 0.00 C ATOM 1306 C THR A 87 8.285 -8.607 -0.274 1.00 0.00 C ATOM 1307 O THR A 87 8.137 -9.492 -1.116 1.00 0.00 O ATOM 1308 CB THR A 87 6.613 -6.764 0.318 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.685 -7.836 0.177 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.871 -5.552 -0.248 1.00 0.00 C ATOM 0 H THR A 87 6.775 -7.766 -2.283 1.00 0.00 H new ATOM 0 HA THR A 87 8.643 -6.535 -0.309 1.00 0.00 H new ATOM 0 HB THR A 87 6.963 -6.537 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.884 -7.648 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.038 -5.297 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.554 -4.705 -0.313 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.492 -5.789 -1.242 1.00 0.00 H new ATOM 1318 N LYS A 88 8.854 -8.785 0.909 1.00 0.00 N ATOM 1319 CA LYS A 88 9.361 -10.086 1.308 1.00 0.00 C ATOM 1320 C LYS A 88 8.195 -11.072 1.417 1.00 0.00 C ATOM 1321 O LYS A 88 7.960 -11.864 0.507 1.00 0.00 O ATOM 1322 CB LYS A 88 10.189 -9.969 2.590 1.00 0.00 C ATOM 1323 CG LYS A 88 9.321 -10.207 3.827 1.00 0.00 C ATOM 1324 CD LYS A 88 10.095 -9.890 5.108 1.00 0.00 C ATOM 1325 CE LYS A 88 9.142 -9.555 6.256 1.00 0.00 C ATOM 1326 NZ LYS A 88 9.635 -10.137 7.525 1.00 0.00 N ATOM 0 H LYS A 88 8.975 -8.049 1.605 1.00 0.00 H new ATOM 0 HA LYS A 88 10.041 -10.478 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.004 -10.693 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.643 -8.980 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.428 -9.585 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.986 -11.244 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.715 -10.743 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.768 -9.050 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.050 -8.474 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.147 -9.940 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.977 -9.900 8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.700 -11.171 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.575 -9.749 7.743 1.00 0.00 H new