USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 840 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 37 CYS SG : rot 125:sc= -1.16! USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -0.982 F(o=-2.8!,f=-2.1) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 16 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.5!) USER MOD Single : A 26 MET CE :methyl 168:sc= 0 (180deg=-0.0342) USER MOD Single : A 30 TYR OH : rot -130:sc= 0.0147 USER MOD Single : A 34 CYS SG : rot 55:sc= 0.426 USER MOD Single : A 38 GLN : amide:sc= -0.0094 K(o=-0.0094,f=-1.1) USER MOD Single : A 39 ASN : amide:sc= -0.245 K(o=-0.24,f=-1.6) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0282 K(o=-0.028,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= -0.853 (180deg=-0.976) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.2) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 150:sc= 0.753 USER MOD Single : A 82 TYR OH : rot 180:sc=-0.00396 USER MOD Single : A 83 HIS :FLIP no HE2:sc= -0.243 F(o=-1.1,f=-0.24) USER MOD Single : A 84 CYS SG : rot 101:sc= -0.78 USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 0.983 (180deg=0.981) USER MOD Single : A 92 TYR OH : rot 107:sc= -0.331 USER MOD Single : A 93 GLN : amide:sc=-0.00123 X(o=-0.0012,f=0) USER MOD Single : A 97 THR OG1 : rot 135:sc= -1.12 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= -0.0124 (180deg=-0.185) USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 0 (180deg=-8.41e-06) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.620 -5.821 -1.115 1.00 0.00 N ATOM 67 CA ASN A 8 -8.633 -6.443 -0.240 1.00 0.00 C ATOM 68 C ASN A 8 -7.928 -5.395 0.616 1.00 0.00 C ATOM 69 O ASN A 8 -7.591 -5.647 1.773 1.00 0.00 O ATOM 70 CB ASN A 8 -7.605 -7.219 -1.066 1.00 0.00 C ATOM 71 CG ASN A 8 -8.089 -8.607 -1.436 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.394 -9.423 -0.565 1.00 0.00 O ATOM 73 ND2 ASN A 8 -8.162 -8.883 -2.733 1.00 0.00 N ATOM 0 HA ASN A 8 -9.155 -7.135 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.378 -6.662 -1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.676 -7.300 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.481 -9.801 -3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.899 -8.177 -3.420 1.00 0.00 H new ATOM 80 N VAL A 9 -7.709 -4.218 0.039 1.00 0.00 N ATOM 81 CA VAL A 9 -7.046 -3.130 0.749 1.00 0.00 C ATOM 82 C VAL A 9 -7.903 -2.625 1.904 1.00 0.00 C ATOM 83 O VAL A 9 -9.116 -2.462 1.766 1.00 0.00 O ATOM 84 CB VAL A 9 -6.730 -1.955 -0.194 1.00 0.00 C ATOM 85 CG1 VAL A 9 -5.911 -0.896 0.528 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.002 -2.449 -1.435 1.00 0.00 C ATOM 0 H VAL A 9 -7.981 -3.993 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.112 -3.531 1.142 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.670 -1.501 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.697 -0.073 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.474 -0.521 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.974 -1.333 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.787 -1.605 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.068 -2.929 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.629 -3.168 -1.963 1.00 0.00 H new ATOM 96 N ARG A 10 -7.265 -2.376 3.043 1.00 0.00 N ATOM 97 CA ARG A 10 -7.970 -1.889 4.223 1.00 0.00 C ATOM 98 C ARG A 10 -7.832 -0.375 4.352 1.00 0.00 C ATOM 99 O ARG A 10 -6.838 0.208 3.918 1.00 0.00 O ATOM 100 CB ARG A 10 -7.430 -2.570 5.482 1.00 0.00 C ATOM 101 CG ARG A 10 -7.989 -3.965 5.707 1.00 0.00 C ATOM 102 CD ARG A 10 -8.269 -4.223 7.180 1.00 0.00 C ATOM 103 NE ARG A 10 -8.484 -5.641 7.456 1.00 0.00 N ATOM 104 CZ ARG A 10 -7.518 -6.552 7.421 1.00 0.00 C ATOM 105 NH1 ARG A 10 -6.276 -6.195 7.123 1.00 0.00 N ATOM 106 NH2 ARG A 10 -7.793 -7.823 7.684 1.00 0.00 N ATOM 0 H ARG A 10 -6.261 -2.503 3.174 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.027 -2.132 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.344 -2.630 5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.663 -1.950 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.908 -4.086 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.281 -4.706 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.432 -3.860 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.148 -3.657 7.486 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.428 -5.949 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.061 -5.219 6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.536 -6.897 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.747 -8.101 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.050 -8.522 7.657 1.00 0.00 H new ATOM 120 N VAL A 11 -8.837 0.257 4.950 1.00 0.00 N ATOM 121 CA VAL A 11 -8.829 1.703 5.136 1.00 0.00 C ATOM 122 C VAL A 11 -8.520 2.068 6.584 1.00 0.00 C ATOM 123 O VAL A 11 -9.408 2.067 7.438 1.00 0.00 O ATOM 124 CB VAL A 11 -10.179 2.328 4.737 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.190 3.817 5.046 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.466 2.079 3.264 1.00 0.00 C ATOM 0 H VAL A 11 -9.667 -0.210 5.314 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.048 2.102 4.489 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.967 1.854 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.152 4.241 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.032 3.968 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.394 4.310 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.424 2.527 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.677 2.525 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.504 1.006 3.077 1.00 0.00 H new ATOM 136 N ILE A 12 -7.257 2.381 6.853 1.00 0.00 N ATOM 137 CA ILE A 12 -6.832 2.751 8.197 1.00 0.00 C ATOM 138 C ILE A 12 -7.276 4.168 8.544 1.00 0.00 C ATOM 139 O ILE A 12 -6.962 5.122 7.831 1.00 0.00 O ATOM 140 CB ILE A 12 -5.303 2.652 8.351 1.00 0.00 C ATOM 141 CG1 ILE A 12 -4.819 1.253 7.962 1.00 0.00 C ATOM 142 CG2 ILE A 12 -4.891 2.984 9.778 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.383 0.155 8.836 1.00 0.00 C ATOM 0 H ILE A 12 -6.510 2.386 6.158 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.304 2.047 8.882 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.838 3.376 7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.093 1.058 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.731 1.226 8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.807 2.910 9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.207 3.998 10.021 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.363 2.282 10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.998 -0.809 8.503 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.088 0.326 9.871 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.471 0.155 8.764 1.00 0.00 H new ATOM 155 N THR A 13 -8.007 4.300 9.647 1.00 0.00 N ATOM 156 CA THR A 13 -8.494 5.600 10.090 1.00 0.00 C ATOM 157 C THR A 13 -7.597 6.182 11.176 1.00 0.00 C ATOM 158 O THR A 13 -6.555 5.614 11.505 1.00 0.00 O ATOM 159 CB THR A 13 -9.935 5.508 10.625 1.00 0.00 C ATOM 160 OG1 THR A 13 -9.982 4.633 11.758 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.881 5.001 9.547 1.00 0.00 C ATOM 0 H THR A 13 -8.275 3.522 10.250 1.00 0.00 H new ATOM 0 HA THR A 13 -8.479 6.256 9.220 1.00 0.00 H new ATOM 0 HB THR A 13 -10.252 6.507 10.924 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.901 4.581 12.093 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.893 4.944 9.948 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.865 5.684 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.564 4.010 9.221 1.00 0.00 H new ATOM 169 N ASP A 14 -8.007 7.318 11.730 1.00 0.00 N ATOM 170 CA ASP A 14 -7.240 7.976 12.781 1.00 0.00 C ATOM 171 C ASP A 14 -7.241 7.142 14.058 1.00 0.00 C ATOM 172 O ASP A 14 -6.593 7.496 15.042 1.00 0.00 O ATOM 173 CB ASP A 14 -7.813 9.366 13.065 1.00 0.00 C ATOM 174 CG ASP A 14 -7.188 10.011 14.286 1.00 0.00 C ATOM 175 OD1 ASP A 14 -5.990 9.764 14.541 1.00 0.00 O ATOM 176 OD2 ASP A 14 -7.896 10.764 14.987 1.00 0.00 O ATOM 0 H ASP A 14 -8.866 7.802 11.469 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.211 8.078 12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.653 10.006 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.891 9.289 13.210 1.00 0.00 H new ATOM 181 N GLU A 15 -7.975 6.033 14.034 1.00 0.00 N ATOM 182 CA GLU A 15 -8.061 5.150 15.191 1.00 0.00 C ATOM 183 C GLU A 15 -7.603 3.739 14.834 1.00 0.00 C ATOM 184 O GLU A 15 -7.143 2.988 15.693 1.00 0.00 O ATOM 185 CB GLU A 15 -9.494 5.113 15.727 1.00 0.00 C ATOM 186 CG GLU A 15 -9.601 4.570 17.142 1.00 0.00 C ATOM 187 CD GLU A 15 -10.965 4.813 17.758 1.00 0.00 C ATOM 188 OE1 GLU A 15 -11.968 4.770 17.015 1.00 0.00 O ATOM 189 OE2 GLU A 15 -11.029 5.045 18.983 1.00 0.00 O ATOM 0 H GLU A 15 -8.518 5.726 13.227 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.401 5.542 15.965 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.909 6.121 15.701 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.105 4.500 15.064 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.396 3.499 17.133 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.837 5.036 17.765 1.00 0.00 H new ATOM 196 N ASN A 16 -7.734 3.386 13.559 1.00 0.00 N ATOM 197 CA ASN A 16 -7.335 2.065 13.088 1.00 0.00 C ATOM 198 C ASN A 16 -5.815 1.937 13.048 1.00 0.00 C ATOM 199 O ASN A 16 -5.270 0.843 13.190 1.00 0.00 O ATOM 200 CB ASN A 16 -7.917 1.799 11.698 1.00 0.00 C ATOM 201 CG ASN A 16 -8.222 0.332 11.469 1.00 0.00 C ATOM 202 OD1 ASN A 16 -7.936 -0.513 12.318 1.00 0.00 O ATOM 203 ND2 ASN A 16 -8.807 0.022 10.318 1.00 0.00 N ATOM 0 H ASN A 16 -8.113 3.996 12.835 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.726 1.325 13.786 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.830 2.381 11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.213 2.143 10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.038 -0.949 10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.026 0.755 9.643 1.00 0.00 H new ATOM 210 N TRP A 17 -5.138 3.063 12.855 1.00 0.00 N ATOM 211 CA TRP A 17 -3.680 3.078 12.797 1.00 0.00 C ATOM 212 C TRP A 17 -3.084 2.157 13.856 1.00 0.00 C ATOM 213 O TRP A 17 -2.165 1.387 13.577 1.00 0.00 O ATOM 214 CB TRP A 17 -3.156 4.502 12.988 1.00 0.00 C ATOM 215 CG TRP A 17 -3.093 4.924 14.425 1.00 0.00 C ATOM 216 CD1 TRP A 17 -3.980 5.726 15.083 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.087 4.566 15.379 1.00 0.00 C ATOM 218 NE1 TRP A 17 -3.587 5.889 16.389 1.00 0.00 N ATOM 219 CE2 TRP A 17 -2.429 5.187 16.597 1.00 0.00 C ATOM 220 CE3 TRP A 17 -0.933 3.780 15.325 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -1.657 5.046 17.746 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.167 3.642 16.467 1.00 0.00 C ATOM 223 CH2 TRP A 17 -0.532 4.271 17.664 1.00 0.00 C ATOM 0 H TRP A 17 -5.574 3.977 12.736 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.376 2.716 11.815 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.160 4.577 12.551 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.797 5.194 12.441 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.861 6.168 14.642 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.078 6.443 17.091 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.645 3.289 14.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.936 5.531 18.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.728 3.039 16.436 1.00 0.00 H new ATOM 0 HH2 TRP A 17 0.087 4.142 18.540 1.00 0.00 H new ATOM 234 N ARG A 18 -3.614 2.241 15.073 1.00 0.00 N ATOM 235 CA ARG A 18 -3.132 1.415 16.174 1.00 0.00 C ATOM 236 C ARG A 18 -2.890 -0.019 15.712 1.00 0.00 C ATOM 237 O ARG A 18 -1.797 -0.559 15.883 1.00 0.00 O ATOM 238 CB ARG A 18 -4.138 1.428 17.326 1.00 0.00 C ATOM 239 CG ARG A 18 -4.153 2.732 18.107 1.00 0.00 C ATOM 240 CD ARG A 18 -3.115 2.728 19.218 1.00 0.00 C ATOM 241 NE ARG A 18 -3.662 2.227 20.476 1.00 0.00 N ATOM 242 CZ ARG A 18 -3.139 2.501 21.666 1.00 0.00 C ATOM 243 NH1 ARG A 18 -2.061 3.267 21.759 1.00 0.00 N ATOM 244 NH2 ARG A 18 -3.694 2.008 22.766 1.00 0.00 N ATOM 0 H ARG A 18 -4.376 2.872 15.321 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.186 1.831 16.521 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.135 1.241 16.928 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.908 0.609 18.007 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.960 3.565 17.431 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.143 2.891 18.534 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.267 2.111 18.920 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.737 3.740 19.364 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.491 1.634 20.439 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.631 3.647 20.916 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.661 3.476 22.674 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.523 1.418 22.698 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.291 2.219 23.679 1.00 0.00 H new ATOM 258 N GLU A 19 -3.916 -0.629 15.128 1.00 0.00 N ATOM 259 CA GLU A 19 -3.814 -2.000 14.644 1.00 0.00 C ATOM 260 C GLU A 19 -2.479 -2.231 13.940 1.00 0.00 C ATOM 261 O GLU A 19 -1.912 -3.322 14.002 1.00 0.00 O ATOM 262 CB GLU A 19 -4.967 -2.315 13.689 1.00 0.00 C ATOM 263 CG GLU A 19 -6.276 -2.626 14.397 1.00 0.00 C ATOM 264 CD GLU A 19 -6.437 -4.102 14.704 1.00 0.00 C ATOM 265 OE1 GLU A 19 -5.408 -4.793 14.856 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.593 -4.566 14.793 1.00 0.00 O ATOM 0 H GLU A 19 -4.827 -0.195 14.979 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.872 -2.667 15.504 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.117 -1.466 13.022 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.690 -3.165 13.066 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.326 -2.058 15.326 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.108 -2.295 13.776 1.00 0.00 H new ATOM 273 N LEU A 20 -1.985 -1.196 13.269 1.00 0.00 N ATOM 274 CA LEU A 20 -0.717 -1.284 12.552 1.00 0.00 C ATOM 275 C LEU A 20 0.396 -1.773 13.473 1.00 0.00 C ATOM 276 O LEU A 20 1.218 -2.604 13.084 1.00 0.00 O ATOM 277 CB LEU A 20 -0.347 0.078 11.963 1.00 0.00 C ATOM 278 CG LEU A 20 -1.407 0.739 11.082 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.149 2.234 10.967 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.434 0.094 9.704 1.00 0.00 C ATOM 0 H LEU A 20 -2.443 -0.287 13.206 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.834 -2.003 11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.113 0.755 12.784 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.564 -0.038 11.376 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.381 0.593 11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.913 2.688 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.181 2.686 11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.167 2.401 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.195 0.577 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.459 0.208 9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.668 -0.966 9.803 1.00 0.00 H new ATOM 292 N LEU A 21 0.417 -1.253 14.695 1.00 0.00 N ATOM 293 CA LEU A 21 1.429 -1.638 15.673 1.00 0.00 C ATOM 294 C LEU A 21 1.444 -3.150 15.875 1.00 0.00 C ATOM 295 O LEU A 21 2.417 -3.708 16.379 1.00 0.00 O ATOM 296 CB LEU A 21 1.169 -0.937 17.008 1.00 0.00 C ATOM 297 CG LEU A 21 1.001 0.582 16.946 1.00 0.00 C ATOM 298 CD1 LEU A 21 0.474 1.115 18.270 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.319 1.251 16.587 1.00 0.00 C ATOM 0 H LEU A 21 -0.255 -0.564 15.033 1.00 0.00 H new ATOM 0 HA LEU A 21 2.403 -1.331 15.291 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.269 -1.364 17.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.995 -1.164 17.682 1.00 0.00 H new ATOM 0 HG LEU A 21 0.274 0.816 16.168 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.361 2.197 18.207 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.493 0.661 18.486 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.176 0.869 19.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.180 2.331 16.548 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.067 1.009 17.342 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.656 0.893 15.614 1.00 0.00 H new ATOM 311 N GLU A 22 0.358 -3.806 15.476 1.00 0.00 N ATOM 312 CA GLU A 22 0.248 -5.253 15.612 1.00 0.00 C ATOM 313 C GLU A 22 0.342 -5.937 14.250 1.00 0.00 C ATOM 314 O GLU A 22 -0.170 -5.431 13.253 1.00 0.00 O ATOM 315 CB GLU A 22 -1.071 -5.625 16.291 1.00 0.00 C ATOM 316 CG GLU A 22 -1.293 -4.918 17.618 1.00 0.00 C ATOM 317 CD GLU A 22 -0.739 -5.698 18.794 1.00 0.00 C ATOM 318 OE1 GLU A 22 0.226 -6.466 18.595 1.00 0.00 O ATOM 319 OE2 GLU A 22 -1.268 -5.540 19.914 1.00 0.00 O ATOM 0 H GLU A 22 -0.457 -3.358 15.057 1.00 0.00 H new ATOM 0 HA GLU A 22 1.077 -5.598 16.230 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.896 -5.386 15.619 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.095 -6.702 16.454 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.823 -3.935 17.585 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.361 -4.756 17.765 1.00 0.00 H new ATOM 326 N GLY A 23 1.003 -7.090 14.218 1.00 0.00 N ATOM 327 CA GLY A 23 1.153 -7.824 12.975 1.00 0.00 C ATOM 328 C GLY A 23 1.676 -6.955 11.848 1.00 0.00 C ATOM 329 O GLY A 23 1.864 -5.751 12.020 1.00 0.00 O ATOM 0 H GLY A 23 1.437 -7.529 15.030 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.834 -8.661 13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.190 -8.246 12.687 1.00 0.00 H new ATOM 333 N ASP A 24 1.914 -7.567 10.693 1.00 0.00 N ATOM 334 CA ASP A 24 2.420 -6.841 9.534 1.00 0.00 C ATOM 335 C ASP A 24 1.323 -5.988 8.906 1.00 0.00 C ATOM 336 O ASP A 24 0.164 -6.399 8.839 1.00 0.00 O ATOM 337 CB ASP A 24 2.979 -7.818 8.498 1.00 0.00 C ATOM 338 CG ASP A 24 3.675 -9.004 9.137 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.896 -8.913 9.381 1.00 0.00 O ATOM 340 OD2 ASP A 24 2.999 -10.022 9.392 1.00 0.00 O ATOM 0 H ASP A 24 1.765 -8.563 10.535 1.00 0.00 H new ATOM 0 HA ASP A 24 3.221 -6.182 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.167 -8.175 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.682 -7.294 7.850 1.00 0.00 H new ATOM 345 N TRP A 25 1.695 -4.798 8.448 1.00 0.00 N ATOM 346 CA TRP A 25 0.742 -3.886 7.826 1.00 0.00 C ATOM 347 C TRP A 25 1.428 -3.005 6.788 1.00 0.00 C ATOM 348 O TRP A 25 2.381 -2.291 7.099 1.00 0.00 O ATOM 349 CB TRP A 25 0.071 -3.014 8.889 1.00 0.00 C ATOM 350 CG TRP A 25 -1.029 -3.717 9.626 1.00 0.00 C ATOM 351 CD1 TRP A 25 -0.890 -4.597 10.661 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.435 -3.600 9.383 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.125 -5.034 11.076 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.089 -4.436 10.308 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.205 -2.868 8.475 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.475 -4.560 10.349 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.581 -2.992 8.516 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.204 -3.832 9.448 1.00 0.00 C ATOM 0 H TRP A 25 2.650 -4.442 8.496 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.018 -4.483 7.322 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.823 -2.682 9.604 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.333 -2.120 8.414 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.052 -4.904 11.090 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.296 -5.696 11.833 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.733 -2.217 7.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.958 -5.207 11.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.186 -2.432 7.818 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.281 -3.907 9.456 1.00 0.00 H new ATOM 369 N MET A 26 0.938 -3.061 5.554 1.00 0.00 N ATOM 370 CA MET A 26 1.505 -2.266 4.470 1.00 0.00 C ATOM 371 C MET A 26 0.641 -1.043 4.184 1.00 0.00 C ATOM 372 O MET A 26 -0.468 -1.163 3.662 1.00 0.00 O ATOM 373 CB MET A 26 1.643 -3.115 3.205 1.00 0.00 C ATOM 374 CG MET A 26 2.924 -3.932 3.158 1.00 0.00 C ATOM 375 SD MET A 26 4.403 -2.902 3.088 1.00 0.00 S ATOM 376 CE MET A 26 4.641 -2.772 1.318 1.00 0.00 C ATOM 0 H MET A 26 0.150 -3.648 5.279 1.00 0.00 H new ATOM 0 HA MET A 26 2.493 -1.926 4.780 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.789 -3.789 3.135 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.606 -2.462 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.974 -4.573 4.038 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.901 -4.587 2.287 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.381 -2.000 1.106 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.991 -3.727 0.927 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.696 -2.510 0.842 1.00 0.00 H new ATOM 386 N ILE A 27 1.154 0.133 4.529 1.00 0.00 N ATOM 387 CA ILE A 27 0.429 1.378 4.308 1.00 0.00 C ATOM 388 C ILE A 27 0.998 2.142 3.117 1.00 0.00 C ATOM 389 O ILE A 27 2.170 1.992 2.774 1.00 0.00 O ATOM 390 CB ILE A 27 0.472 2.284 5.552 1.00 0.00 C ATOM 391 CG1 ILE A 27 0.109 1.484 6.805 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.470 3.466 5.380 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.449 2.195 8.096 1.00 0.00 C ATOM 0 H ILE A 27 2.070 0.250 4.963 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.606 1.107 4.102 1.00 0.00 H new ATOM 0 HB ILE A 27 1.486 2.667 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.959 1.266 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.630 0.527 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.428 4.097 6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.170 4.047 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.488 3.103 5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.164 1.569 8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.521 2.389 8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.093 3.140 8.145 1.00 0.00 H new ATOM 405 N GLU A 28 0.159 2.961 2.491 1.00 0.00 N ATOM 406 CA GLU A 28 0.580 3.750 1.338 1.00 0.00 C ATOM 407 C GLU A 28 -0.127 5.102 1.317 1.00 0.00 C ATOM 408 O GLU A 28 -1.312 5.190 0.993 1.00 0.00 O ATOM 409 CB GLU A 28 0.293 2.991 0.041 1.00 0.00 C ATOM 410 CG GLU A 28 -1.125 2.452 -0.048 1.00 0.00 C ATOM 411 CD GLU A 28 -1.625 2.360 -1.477 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.783 2.274 -2.395 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.858 2.374 -1.676 1.00 0.00 O ATOM 0 H GLU A 28 -0.815 3.096 2.762 1.00 0.00 H new ATOM 0 HA GLU A 28 1.653 3.922 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.475 3.653 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.994 2.161 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.164 1.464 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.791 3.096 0.526 1.00 0.00 H new ATOM 420 N PHE A 29 0.608 6.153 1.664 1.00 0.00 N ATOM 421 CA PHE A 29 0.052 7.501 1.686 1.00 0.00 C ATOM 422 C PHE A 29 -0.034 8.077 0.275 1.00 0.00 C ATOM 423 O PHE A 29 0.982 8.413 -0.333 1.00 0.00 O ATOM 424 CB PHE A 29 0.906 8.413 2.570 1.00 0.00 C ATOM 425 CG PHE A 29 0.830 8.073 4.031 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.572 7.026 4.551 1.00 0.00 C ATOM 427 CD2 PHE A 29 0.016 8.802 4.883 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.505 6.711 5.896 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.054 8.492 6.228 1.00 0.00 C ATOM 430 CZ PHE A 29 0.690 7.444 6.735 1.00 0.00 C ATOM 0 H PHE A 29 1.590 6.097 1.934 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.955 7.445 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.945 8.353 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.587 9.446 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.210 6.449 3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.570 9.621 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.090 5.893 6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.690 9.069 6.883 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.634 7.199 7.785 1.00 0.00 H new ATOM 440 N TYR A 30 -1.254 8.187 -0.238 1.00 0.00 N ATOM 441 CA TYR A 30 -1.475 8.719 -1.578 1.00 0.00 C ATOM 442 C TYR A 30 -2.294 10.004 -1.525 1.00 0.00 C ATOM 443 O TYR A 30 -2.791 10.394 -0.469 1.00 0.00 O ATOM 444 CB TYR A 30 -2.186 7.683 -2.450 1.00 0.00 C ATOM 445 CG TYR A 30 -3.679 7.622 -2.223 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.527 8.566 -2.791 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.243 6.621 -1.442 1.00 0.00 C ATOM 448 CE1 TYR A 30 -5.892 8.515 -2.585 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.607 6.562 -1.232 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.427 7.511 -1.805 1.00 0.00 C ATOM 451 OH TYR A 30 -7.787 7.456 -1.599 1.00 0.00 O ATOM 0 H TYR A 30 -2.105 7.915 0.253 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.503 8.947 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.996 7.911 -3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.757 6.700 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.112 9.352 -3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.604 5.876 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.537 9.257 -3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.029 5.777 -0.622 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.969 7.370 -0.640 1.00 0.00 H new ATOM 461 N ALA A 31 -2.431 10.658 -2.674 1.00 0.00 N ATOM 462 CA ALA A 31 -3.192 11.898 -2.762 1.00 0.00 C ATOM 463 C ALA A 31 -3.936 11.993 -4.089 1.00 0.00 C ATOM 464 O ALA A 31 -3.420 11.628 -5.146 1.00 0.00 O ATOM 465 CB ALA A 31 -2.271 13.096 -2.583 1.00 0.00 C ATOM 0 H ALA A 31 -2.025 10.349 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.931 11.899 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.853 14.015 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.790 13.042 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.510 13.090 -3.363 1.00 0.00 H new ATOM 471 N PRO A 32 -5.179 12.495 -4.037 1.00 0.00 N ATOM 472 CA PRO A 32 -6.021 12.649 -5.227 1.00 0.00 C ATOM 473 C PRO A 32 -5.513 13.745 -6.158 1.00 0.00 C ATOM 474 O PRO A 32 -5.855 13.775 -7.341 1.00 0.00 O ATOM 475 CB PRO A 32 -7.386 13.029 -4.649 1.00 0.00 C ATOM 476 CG PRO A 32 -7.079 13.657 -3.333 1.00 0.00 C ATOM 477 CD PRO A 32 -5.859 12.950 -2.812 1.00 0.00 C ATOM 0 HA PRO A 32 -6.037 11.744 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.914 13.721 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.023 12.153 -4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.893 14.725 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.917 13.549 -2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.227 13.618 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.125 12.114 -2.166 1.00 0.00 H new ATOM 485 N TRP A 33 -4.695 14.641 -5.619 1.00 0.00 N ATOM 486 CA TRP A 33 -4.140 15.738 -6.402 1.00 0.00 C ATOM 487 C TRP A 33 -2.673 15.484 -6.732 1.00 0.00 C ATOM 488 O TRP A 33 -1.959 16.389 -7.165 1.00 0.00 O ATOM 489 CB TRP A 33 -4.283 17.058 -5.643 1.00 0.00 C ATOM 490 CG TRP A 33 -4.301 16.888 -4.154 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.385 16.993 -3.330 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.183 16.584 -3.313 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.008 16.773 -2.027 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.662 16.519 -1.990 1.00 0.00 C ATOM 495 CE3 TRP A 33 -1.824 16.359 -3.548 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -2.830 16.239 -0.909 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -0.999 16.082 -2.475 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.504 16.023 -1.169 1.00 0.00 C ATOM 0 H TRP A 33 -4.401 14.629 -4.642 1.00 0.00 H new ATOM 0 HA TRP A 33 -4.698 15.802 -7.336 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.459 17.717 -5.916 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.203 17.551 -5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.391 17.216 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.629 16.795 -1.218 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.426 16.401 -4.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.217 16.194 0.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.053 15.908 -2.646 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.833 15.803 -0.352 1.00 0.00 H new ATOM 509 N CYS A 34 -2.231 14.248 -6.526 1.00 0.00 N ATOM 510 CA CYS A 34 -0.848 13.876 -6.802 1.00 0.00 C ATOM 511 C CYS A 34 -0.756 13.016 -8.058 1.00 0.00 C ATOM 512 O CYS A 34 -1.447 12.007 -8.201 1.00 0.00 O ATOM 513 CB CYS A 34 -0.254 13.123 -5.610 1.00 0.00 C ATOM 514 SG CYS A 34 0.676 14.169 -4.465 1.00 0.00 S ATOM 0 H CYS A 34 -2.810 13.488 -6.169 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.278 14.790 -6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.061 12.634 -5.064 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.403 12.336 -5.982 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.079 15.147 -4.061 1.00 0.00 H new ATOM 520 N PRO A 35 0.115 13.425 -8.993 1.00 0.00 N ATOM 521 CA PRO A 35 0.316 12.707 -10.255 1.00 0.00 C ATOM 522 C PRO A 35 1.011 11.365 -10.054 1.00 0.00 C ATOM 523 O PRO A 35 0.816 10.432 -10.832 1.00 0.00 O ATOM 524 CB PRO A 35 1.206 13.654 -11.064 1.00 0.00 C ATOM 525 CG PRO A 35 1.925 14.465 -10.041 1.00 0.00 C ATOM 526 CD PRO A 35 0.970 14.619 -8.889 1.00 0.00 C ATOM 0 HA PRO A 35 -0.629 12.467 -10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.904 13.101 -11.693 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.613 14.286 -11.725 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.842 13.969 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.211 15.437 -10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.495 14.656 -7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.389 15.538 -8.969 1.00 0.00 H new ATOM 534 N ALA A 36 1.822 11.275 -9.005 1.00 0.00 N ATOM 535 CA ALA A 36 2.544 10.046 -8.701 1.00 0.00 C ATOM 536 C ALA A 36 1.616 9.000 -8.094 1.00 0.00 C ATOM 537 O ALA A 36 1.888 7.800 -8.162 1.00 0.00 O ATOM 538 CB ALA A 36 3.704 10.334 -7.759 1.00 0.00 C ATOM 0 H ALA A 36 1.995 12.039 -8.351 1.00 0.00 H new ATOM 0 HA ALA A 36 2.939 9.646 -9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.234 9.407 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.388 11.041 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.322 10.761 -6.831 1.00 0.00 H new ATOM 544 N CYS A 37 0.520 9.460 -7.501 1.00 0.00 N ATOM 545 CA CYS A 37 -0.448 8.563 -6.881 1.00 0.00 C ATOM 546 C CYS A 37 -1.283 7.849 -7.939 1.00 0.00 C ATOM 547 O CYS A 37 -1.362 6.621 -7.955 1.00 0.00 O ATOM 548 CB CYS A 37 -1.362 9.342 -5.934 1.00 0.00 C ATOM 549 SG CYS A 37 -3.020 8.641 -5.765 1.00 0.00 S ATOM 0 H CYS A 37 0.280 10.449 -7.437 1.00 0.00 H new ATOM 0 HA CYS A 37 0.101 7.814 -6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.895 9.385 -4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.448 10.368 -6.291 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.274 8.425 -4.508 1.00 0.00 H new ATOM 555 N GLN A 38 -1.905 8.626 -8.819 1.00 0.00 N ATOM 556 CA GLN A 38 -2.736 8.067 -9.879 1.00 0.00 C ATOM 557 C GLN A 38 -2.015 6.926 -10.591 1.00 0.00 C ATOM 558 O GLN A 38 -2.645 6.083 -11.227 1.00 0.00 O ATOM 559 CB GLN A 38 -3.115 9.154 -10.886 1.00 0.00 C ATOM 560 CG GLN A 38 -3.461 10.486 -10.242 1.00 0.00 C ATOM 561 CD GLN A 38 -4.282 11.379 -11.152 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.464 11.081 -12.333 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.783 12.480 -10.606 1.00 0.00 N ATOM 0 H GLN A 38 -1.850 9.644 -8.819 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.644 7.671 -9.424 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.287 9.300 -11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.967 8.812 -11.474 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.014 10.307 -9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.541 11.002 -9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.607 12.687 -9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.344 13.119 -11.169 1.00 0.00 H new ATOM 572 N ASN A 39 -0.691 6.908 -10.479 1.00 0.00 N ATOM 573 CA ASN A 39 0.115 5.871 -11.112 1.00 0.00 C ATOM 574 C ASN A 39 0.226 4.643 -10.214 1.00 0.00 C ATOM 575 O ASN A 39 0.186 3.507 -10.689 1.00 0.00 O ATOM 576 CB ASN A 39 1.511 6.408 -11.436 1.00 0.00 C ATOM 577 CG ASN A 39 2.449 5.322 -11.927 1.00 0.00 C ATOM 578 OD1 ASN A 39 2.013 4.317 -12.488 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.745 5.520 -11.717 1.00 0.00 N ATOM 0 H ASN A 39 -0.154 7.600 -9.956 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.379 5.577 -12.038 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.431 7.186 -12.196 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.934 6.874 -10.546 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.424 4.824 -12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.062 6.368 -11.248 1.00 0.00 H new ATOM 586 N LEU A 40 0.366 4.879 -8.914 1.00 0.00 N ATOM 587 CA LEU A 40 0.481 3.792 -7.948 1.00 0.00 C ATOM 588 C LEU A 40 -0.880 3.160 -7.673 1.00 0.00 C ATOM 589 O LEU A 40 -0.970 1.978 -7.344 1.00 0.00 O ATOM 590 CB LEU A 40 1.091 4.306 -6.643 1.00 0.00 C ATOM 591 CG LEU A 40 1.387 3.250 -5.578 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.497 2.320 -6.043 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.761 3.911 -4.259 1.00 0.00 C ATOM 0 H LEU A 40 0.403 5.813 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 40 1.135 3.030 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.020 4.825 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.413 5.045 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 40 0.485 2.658 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.694 1.575 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.191 1.820 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.402 2.898 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.968 3.143 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.648 4.529 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.935 4.535 -3.918 1.00 0.00 H new ATOM 605 N GLN A 41 -1.935 3.956 -7.812 1.00 0.00 N ATOM 606 CA GLN A 41 -3.291 3.474 -7.580 1.00 0.00 C ATOM 607 C GLN A 41 -3.441 2.028 -8.041 1.00 0.00 C ATOM 608 O GLN A 41 -3.809 1.141 -7.271 1.00 0.00 O ATOM 609 CB GLN A 41 -4.302 4.362 -8.307 1.00 0.00 C ATOM 610 CG GLN A 41 -4.807 5.524 -7.467 1.00 0.00 C ATOM 611 CD GLN A 41 -5.144 5.114 -6.047 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.155 5.171 -5.163 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.281 4.749 -5.747 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.877 4.937 -8.084 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.486 3.516 -6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.842 4.754 -9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.151 3.753 -8.617 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.050 6.308 -7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.693 5.950 -7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.012 4.720 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.492 4.476 -4.787 1.00 0.00 H new ATOM 622 N PRO A 42 -3.150 1.784 -9.327 1.00 0.00 N ATOM 623 CA PRO A 42 -3.245 0.447 -9.920 1.00 0.00 C ATOM 624 C PRO A 42 -2.169 -0.498 -9.396 1.00 0.00 C ATOM 625 O PRO A 42 -2.449 -1.650 -9.065 1.00 0.00 O ATOM 626 CB PRO A 42 -3.046 0.707 -11.415 1.00 0.00 C ATOM 627 CG PRO A 42 -2.260 1.971 -11.479 1.00 0.00 C ATOM 628 CD PRO A 42 -2.705 2.794 -10.302 1.00 0.00 C ATOM 0 HA PRO A 42 -4.191 -0.039 -9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.513 -0.115 -11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.001 0.809 -11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.190 1.768 -11.431 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.443 2.498 -12.415 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.892 3.403 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.512 3.476 -10.571 1.00 0.00 H new ATOM 636 N GLU A 43 -0.938 -0.002 -9.322 1.00 0.00 N ATOM 637 CA GLU A 43 0.180 -0.804 -8.838 1.00 0.00 C ATOM 638 C GLU A 43 -0.133 -1.404 -7.470 1.00 0.00 C ATOM 639 O GLU A 43 0.279 -2.522 -7.162 1.00 0.00 O ATOM 640 CB GLU A 43 1.449 0.047 -8.755 1.00 0.00 C ATOM 641 CG GLU A 43 2.269 0.043 -10.034 1.00 0.00 C ATOM 642 CD GLU A 43 1.486 0.548 -11.231 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.613 -0.194 -11.726 1.00 0.00 O ATOM 644 OE2 GLU A 43 1.748 1.687 -11.671 1.00 0.00 O ATOM 0 H GLU A 43 -0.690 0.950 -9.591 1.00 0.00 H new ATOM 0 HA GLU A 43 0.342 -1.618 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.173 1.073 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.068 -0.318 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.154 0.664 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.618 -0.970 -10.234 1.00 0.00 H new ATOM 651 N TRP A 44 -0.864 -0.652 -6.654 1.00 0.00 N ATOM 652 CA TRP A 44 -1.232 -1.109 -5.319 1.00 0.00 C ATOM 653 C TRP A 44 -2.243 -2.247 -5.393 1.00 0.00 C ATOM 654 O TRP A 44 -2.009 -3.332 -4.861 1.00 0.00 O ATOM 655 CB TRP A 44 -1.808 0.049 -4.503 1.00 0.00 C ATOM 656 CG TRP A 44 -1.691 -0.152 -3.022 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.709 -0.148 -2.111 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.489 -0.384 -2.281 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.212 -0.364 -0.849 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.852 -0.513 -0.926 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.860 -0.498 -2.630 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.084 -0.748 0.077 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.788 -0.731 -1.634 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.398 -0.855 -0.294 1.00 0.00 C ATOM 0 H TRP A 44 -1.213 0.276 -6.894 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.332 -1.479 -4.827 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.294 0.970 -4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.858 0.180 -4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.752 0.003 -2.348 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.765 -0.407 0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.171 -0.406 -3.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.215 -0.843 1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.833 -0.819 -1.893 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.148 -1.039 0.461 1.00 0.00 H new ATOM 675 N GLU A 45 -3.367 -1.993 -6.055 1.00 0.00 N ATOM 676 CA GLU A 45 -4.414 -2.999 -6.196 1.00 0.00 C ATOM 677 C GLU A 45 -3.827 -4.337 -6.635 1.00 0.00 C ATOM 678 O GLU A 45 -4.184 -5.388 -6.103 1.00 0.00 O ATOM 679 CB GLU A 45 -5.464 -2.535 -7.208 1.00 0.00 C ATOM 680 CG GLU A 45 -6.476 -1.560 -6.630 1.00 0.00 C ATOM 681 CD GLU A 45 -7.654 -1.324 -7.556 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.428 -1.166 -8.774 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.801 -1.298 -7.063 1.00 0.00 O ATOM 0 H GLU A 45 -3.576 -1.100 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.889 -3.131 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.960 -2.065 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.992 -3.406 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.839 -1.942 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.983 -0.609 -6.426 1.00 0.00 H new ATOM 690 N SER A 46 -2.923 -4.290 -7.609 1.00 0.00 N ATOM 691 CA SER A 46 -2.289 -5.498 -8.122 1.00 0.00 C ATOM 692 C SER A 46 -1.411 -6.147 -7.056 1.00 0.00 C ATOM 693 O SER A 46 -1.143 -7.347 -7.102 1.00 0.00 O ATOM 694 CB SER A 46 -1.451 -5.173 -9.360 1.00 0.00 C ATOM 695 OG SER A 46 -2.277 -4.845 -10.464 1.00 0.00 O ATOM 0 H SER A 46 -2.614 -3.428 -8.058 1.00 0.00 H new ATOM 0 HA SER A 46 -3.075 -6.201 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.783 -4.340 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.823 -6.028 -9.613 1.00 0.00 H new ATOM 0 HG SER A 46 -1.717 -4.640 -11.242 1.00 0.00 H new ATOM 701 N PHE A 47 -0.967 -5.343 -6.095 1.00 0.00 N ATOM 702 CA PHE A 47 -0.119 -5.836 -5.017 1.00 0.00 C ATOM 703 C PHE A 47 -0.954 -6.512 -3.934 1.00 0.00 C ATOM 704 O PHE A 47 -0.744 -7.681 -3.611 1.00 0.00 O ATOM 705 CB PHE A 47 0.691 -4.688 -4.410 1.00 0.00 C ATOM 706 CG PHE A 47 1.063 -4.911 -2.972 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.344 -6.185 -2.505 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.130 -3.847 -2.088 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.687 -6.394 -1.183 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.473 -4.050 -0.764 1.00 0.00 C ATOM 711 CZ PHE A 47 1.751 -5.324 -0.311 1.00 0.00 C ATOM 0 H PHE A 47 -1.181 -4.347 -6.041 1.00 0.00 H new ATOM 0 HA PHE A 47 0.566 -6.573 -5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.600 -4.547 -4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.115 -3.766 -4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.294 -7.025 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.912 -2.848 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.905 -7.392 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.523 -3.212 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.018 -5.484 0.723 1.00 0.00 H new ATOM 721 N ALA A 48 -1.903 -5.767 -3.375 1.00 0.00 N ATOM 722 CA ALA A 48 -2.771 -6.294 -2.330 1.00 0.00 C ATOM 723 C ALA A 48 -3.356 -7.644 -2.730 1.00 0.00 C ATOM 724 O ALA A 48 -3.830 -8.400 -1.883 1.00 0.00 O ATOM 725 CB ALA A 48 -3.886 -5.305 -2.021 1.00 0.00 C ATOM 0 H ALA A 48 -2.090 -4.797 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.170 -6.440 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.527 -5.712 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.454 -4.363 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.477 -5.131 -2.920 1.00 0.00 H new ATOM 731 N GLU A 49 -3.318 -7.940 -4.025 1.00 0.00 N ATOM 732 CA GLU A 49 -3.846 -9.199 -4.536 1.00 0.00 C ATOM 733 C GLU A 49 -3.149 -10.388 -3.880 1.00 0.00 C ATOM 734 O GLU A 49 -3.791 -11.224 -3.245 1.00 0.00 O ATOM 735 CB GLU A 49 -3.677 -9.270 -6.055 1.00 0.00 C ATOM 736 CG GLU A 49 -4.764 -8.539 -6.824 1.00 0.00 C ATOM 737 CD GLU A 49 -5.946 -9.430 -7.154 1.00 0.00 C ATOM 738 OE1 GLU A 49 -5.850 -10.203 -8.131 1.00 0.00 O ATOM 739 OE2 GLU A 49 -6.965 -9.356 -6.437 1.00 0.00 O ATOM 0 H GLU A 49 -2.927 -7.325 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.908 -9.243 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.708 -8.849 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.667 -10.316 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.109 -7.687 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.345 -8.141 -7.748 1.00 0.00 H new ATOM 746 N TRP A 50 -1.832 -10.454 -4.038 1.00 0.00 N ATOM 747 CA TRP A 50 -1.047 -11.540 -3.461 1.00 0.00 C ATOM 748 C TRP A 50 -0.575 -11.184 -2.056 1.00 0.00 C ATOM 749 O TRP A 50 -0.122 -12.047 -1.306 1.00 0.00 O ATOM 750 CB TRP A 50 0.155 -11.856 -4.352 1.00 0.00 C ATOM 751 CG TRP A 50 0.975 -10.649 -4.695 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.062 -10.036 -5.912 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.823 -9.910 -3.809 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.914 -8.961 -5.837 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.393 -8.862 -4.557 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.155 -10.031 -2.457 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.277 -7.943 -3.997 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.032 -9.118 -1.903 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.584 -8.084 -2.671 1.00 0.00 C ATOM 0 H TRP A 50 -1.285 -9.769 -4.560 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.684 -12.422 -3.397 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.789 -12.586 -3.849 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.197 -12.321 -5.273 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.538 -10.350 -6.803 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.151 -8.338 -6.609 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.734 -10.823 -1.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.705 -7.147 -4.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.297 -9.203 -0.859 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.265 -7.385 -2.208 1.00 0.00 H new ATOM 770 N GLY A 51 -0.685 -9.906 -1.706 1.00 0.00 N ATOM 771 CA GLY A 51 -0.264 -9.459 -0.390 1.00 0.00 C ATOM 772 C GLY A 51 -0.682 -10.417 0.708 1.00 0.00 C ATOM 773 O GLY A 51 0.150 -11.133 1.264 1.00 0.00 O ATOM 0 H GLY A 51 -1.058 -9.173 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.820 -9.347 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.688 -8.475 -0.191 1.00 0.00 H new ATOM 777 N GLU A 52 -1.973 -10.427 1.023 1.00 0.00 N ATOM 778 CA GLU A 52 -2.498 -11.302 2.065 1.00 0.00 C ATOM 779 C GLU A 52 -2.004 -12.734 1.872 1.00 0.00 C ATOM 780 O GLU A 52 -1.843 -13.481 2.837 1.00 0.00 O ATOM 781 CB GLU A 52 -4.028 -11.275 2.063 1.00 0.00 C ATOM 782 CG GLU A 52 -4.645 -11.839 0.794 1.00 0.00 C ATOM 783 CD GLU A 52 -6.097 -12.234 0.978 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.450 -12.698 2.083 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.881 -12.082 0.018 1.00 0.00 O ATOM 0 H GLU A 52 -2.674 -9.840 0.572 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.137 -10.937 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.394 -11.843 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.365 -10.247 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.572 -11.098 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.073 -12.710 0.472 1.00 0.00 H new ATOM 792 N ASP A 53 -1.766 -13.108 0.620 1.00 0.00 N ATOM 793 CA ASP A 53 -1.291 -14.449 0.300 1.00 0.00 C ATOM 794 C ASP A 53 0.038 -14.734 0.993 1.00 0.00 C ATOM 795 O ASP A 53 0.273 -15.841 1.477 1.00 0.00 O ATOM 796 CB ASP A 53 -1.136 -14.610 -1.213 1.00 0.00 C ATOM 797 CG ASP A 53 -1.363 -16.038 -1.669 1.00 0.00 C ATOM 798 OD1 ASP A 53 -1.069 -16.965 -0.885 1.00 0.00 O ATOM 799 OD2 ASP A 53 -1.835 -16.228 -2.809 1.00 0.00 O ATOM 0 H ASP A 53 -1.894 -12.502 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.029 -15.165 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.843 -13.953 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.136 -14.292 -1.509 1.00 0.00 H new ATOM 804 N LEU A 54 0.905 -13.728 1.035 1.00 0.00 N ATOM 805 CA LEU A 54 2.212 -13.870 1.668 1.00 0.00 C ATOM 806 C LEU A 54 2.132 -13.556 3.159 1.00 0.00 C ATOM 807 O LEU A 54 3.139 -13.240 3.790 1.00 0.00 O ATOM 808 CB LEU A 54 3.229 -12.947 0.995 1.00 0.00 C ATOM 809 CG LEU A 54 3.294 -13.019 -0.531 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.127 -11.873 -1.085 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.861 -14.358 -0.979 1.00 0.00 C ATOM 0 H LEU A 54 0.727 -12.805 0.638 1.00 0.00 H new ATOM 0 HA LEU A 54 2.535 -14.904 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.002 -11.920 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.218 -13.178 1.392 1.00 0.00 H new ATOM 0 HG LEU A 54 2.281 -12.927 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.162 -11.941 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.678 -10.923 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.139 -11.933 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.900 -14.391 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.866 -14.480 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.224 -15.163 -0.614 1.00 0.00 H new ATOM 823 N GLU A 55 0.928 -13.649 3.714 1.00 0.00 N ATOM 824 CA GLU A 55 0.718 -13.376 5.131 1.00 0.00 C ATOM 825 C GLU A 55 1.051 -11.924 5.461 1.00 0.00 C ATOM 826 O GLU A 55 1.865 -11.646 6.342 1.00 0.00 O ATOM 827 CB GLU A 55 1.573 -14.313 5.986 1.00 0.00 C ATOM 828 CG GLU A 55 1.201 -14.303 7.459 1.00 0.00 C ATOM 829 CD GLU A 55 -0.287 -14.489 7.687 1.00 0.00 C ATOM 830 OE1 GLU A 55 -1.048 -13.529 7.443 1.00 0.00 O ATOM 831 OE2 GLU A 55 -0.690 -15.593 8.108 1.00 0.00 O ATOM 0 H GLU A 55 0.084 -13.911 3.205 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.334 -13.550 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.478 -15.329 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.621 -14.031 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.745 -15.096 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.518 -13.359 7.903 1.00 0.00 H new ATOM 838 N VAL A 56 0.416 -11.000 4.746 1.00 0.00 N ATOM 839 CA VAL A 56 0.644 -9.576 4.961 1.00 0.00 C ATOM 840 C VAL A 56 -0.601 -8.763 4.627 1.00 0.00 C ATOM 841 O VAL A 56 -1.263 -9.010 3.619 1.00 0.00 O ATOM 842 CB VAL A 56 1.823 -9.061 4.114 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.345 -8.646 2.731 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.518 -7.905 4.816 1.00 0.00 C ATOM 0 H VAL A 56 -0.260 -11.213 4.013 1.00 0.00 H new ATOM 0 HA VAL A 56 0.884 -9.451 6.017 1.00 0.00 H new ATOM 0 HB VAL A 56 2.544 -9.870 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.191 -8.285 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.897 -9.503 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.604 -7.852 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.348 -7.554 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.809 -7.091 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.896 -8.240 5.782 1.00 0.00 H new ATOM 854 N ASN A 57 -0.914 -7.792 5.478 1.00 0.00 N ATOM 855 CA ASN A 57 -2.081 -6.942 5.273 1.00 0.00 C ATOM 856 C ASN A 57 -1.703 -5.672 4.517 1.00 0.00 C ATOM 857 O ASN A 57 -0.598 -5.151 4.674 1.00 0.00 O ATOM 858 CB ASN A 57 -2.717 -6.579 6.617 1.00 0.00 C ATOM 859 CG ASN A 57 -3.294 -7.788 7.329 1.00 0.00 C ATOM 860 OD1 ASN A 57 -4.221 -8.429 6.835 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.745 -8.104 8.496 1.00 0.00 N ATOM 0 H ASN A 57 -0.376 -7.574 6.317 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.803 -7.498 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.969 -6.108 7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.506 -5.845 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.090 -8.907 9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.978 -7.544 8.867 1.00 0.00 H new ATOM 868 N ILE A 58 -2.627 -5.180 3.699 1.00 0.00 N ATOM 869 CA ILE A 58 -2.390 -3.970 2.920 1.00 0.00 C ATOM 870 C ILE A 58 -3.524 -2.967 3.105 1.00 0.00 C ATOM 871 O ILE A 58 -4.691 -3.287 2.881 1.00 0.00 O ATOM 872 CB ILE A 58 -2.239 -4.286 1.421 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.141 -5.330 1.205 1.00 0.00 C ATOM 874 CG2 ILE A 58 -1.932 -3.017 0.640 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.621 -6.755 1.371 1.00 0.00 C ATOM 0 H ILE A 58 -3.546 -5.600 3.558 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.460 -3.536 3.287 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.180 -4.696 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.728 -5.209 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.330 -5.144 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.828 -3.257 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.745 -2.303 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.003 -2.580 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.790 -7.441 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.008 -6.893 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.411 -6.959 0.649 1.00 0.00 H new ATOM 887 N ALA A 59 -3.172 -1.753 3.514 1.00 0.00 N ATOM 888 CA ALA A 59 -4.159 -0.701 3.725 1.00 0.00 C ATOM 889 C ALA A 59 -3.774 0.571 2.978 1.00 0.00 C ATOM 890 O ALA A 59 -2.683 0.667 2.415 1.00 0.00 O ATOM 891 CB ALA A 59 -4.317 -0.417 5.211 1.00 0.00 C ATOM 0 H ALA A 59 -2.210 -1.473 3.706 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.114 -1.047 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.057 0.370 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.647 -1.322 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.361 -0.096 5.624 1.00 0.00 H new ATOM 897 N LYS A 60 -4.676 1.547 2.977 1.00 0.00 N ATOM 898 CA LYS A 60 -4.431 2.815 2.301 1.00 0.00 C ATOM 899 C LYS A 60 -4.894 3.988 3.159 1.00 0.00 C ATOM 900 O LYS A 60 -5.909 3.902 3.849 1.00 0.00 O ATOM 901 CB LYS A 60 -5.150 2.843 0.950 1.00 0.00 C ATOM 902 CG LYS A 60 -6.660 2.954 1.067 1.00 0.00 C ATOM 903 CD LYS A 60 -7.350 2.569 -0.231 1.00 0.00 C ATOM 904 CE LYS A 60 -8.783 2.120 0.011 1.00 0.00 C ATOM 905 NZ LYS A 60 -8.867 0.660 0.291 1.00 0.00 N ATOM 0 H LYS A 60 -5.584 1.484 3.437 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.357 2.909 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.776 3.684 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.902 1.937 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.012 2.309 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.931 3.975 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.344 3.419 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.793 1.767 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.201 2.675 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.390 2.358 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.847 0.409 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.572 0.127 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.242 0.423 1.087 1.00 0.00 H new ATOM 919 N VAL A 61 -4.143 5.084 3.110 1.00 0.00 N ATOM 920 CA VAL A 61 -4.478 6.275 3.881 1.00 0.00 C ATOM 921 C VAL A 61 -4.738 7.467 2.967 1.00 0.00 C ATOM 922 O VAL A 61 -3.993 7.707 2.016 1.00 0.00 O ATOM 923 CB VAL A 61 -3.355 6.637 4.871 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.621 7.992 5.509 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.213 5.558 5.934 1.00 0.00 C ATOM 0 H VAL A 61 -3.299 5.171 2.544 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.385 6.045 4.440 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.416 6.699 4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.817 8.230 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.668 8.756 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.569 7.961 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.415 5.830 6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.150 5.462 6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.972 4.608 5.458 1.00 0.00 H new ATOM 935 N ASP A 62 -5.798 8.211 3.260 1.00 0.00 N ATOM 936 CA ASP A 62 -6.156 9.380 2.465 1.00 0.00 C ATOM 937 C ASP A 62 -5.680 10.662 3.140 1.00 0.00 C ATOM 938 O ASP A 62 -6.110 10.991 4.246 1.00 0.00 O ATOM 939 CB ASP A 62 -7.670 9.433 2.251 1.00 0.00 C ATOM 940 CG ASP A 62 -8.281 8.055 2.089 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.560 7.134 1.651 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.479 7.897 2.402 1.00 0.00 O ATOM 0 H ASP A 62 -6.425 8.026 4.043 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.663 9.296 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.136 9.937 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.888 10.030 1.366 1.00 0.00 H new ATOM 947 N VAL A 63 -4.788 11.383 2.467 1.00 0.00 N ATOM 948 CA VAL A 63 -4.253 12.630 3.001 1.00 0.00 C ATOM 949 C VAL A 63 -5.189 13.798 2.711 1.00 0.00 C ATOM 950 O VAL A 63 -4.754 14.945 2.605 1.00 0.00 O ATOM 951 CB VAL A 63 -2.864 12.941 2.414 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.894 11.807 2.707 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.963 13.196 0.917 1.00 0.00 C ATOM 0 H VAL A 63 -4.421 11.125 1.551 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.163 12.500 4.079 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.482 13.845 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.918 12.045 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.801 11.677 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.267 10.885 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.972 13.414 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.366 12.312 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.622 14.045 0.735 1.00 0.00 H new ATOM 963 N THR A 64 -6.478 13.499 2.584 1.00 0.00 N ATOM 964 CA THR A 64 -7.476 14.524 2.305 1.00 0.00 C ATOM 965 C THR A 64 -8.685 14.378 3.223 1.00 0.00 C ATOM 966 O THR A 64 -9.302 15.369 3.612 1.00 0.00 O ATOM 967 CB THR A 64 -7.948 14.465 0.840 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.587 13.210 0.581 1.00 0.00 O ATOM 969 CG2 THR A 64 -6.778 14.651 -0.113 1.00 0.00 C ATOM 0 H THR A 64 -6.855 12.555 2.670 1.00 0.00 H new ATOM 0 HA THR A 64 -6.999 15.487 2.486 1.00 0.00 H new ATOM 0 HB THR A 64 -8.660 15.274 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.886 13.181 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.136 14.606 -1.142 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.313 15.620 0.067 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.045 13.861 0.052 1.00 0.00 H new ATOM 977 N GLU A 65 -9.016 13.137 3.566 1.00 0.00 N ATOM 978 CA GLU A 65 -10.151 12.864 4.438 1.00 0.00 C ATOM 979 C GLU A 65 -9.687 12.595 5.867 1.00 0.00 C ATOM 980 O GLU A 65 -10.456 12.739 6.817 1.00 0.00 O ATOM 981 CB GLU A 65 -10.948 11.666 3.915 1.00 0.00 C ATOM 982 CG GLU A 65 -11.657 11.935 2.599 1.00 0.00 C ATOM 983 CD GLU A 65 -12.885 11.066 2.410 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.726 9.890 2.022 1.00 0.00 O ATOM 985 OE2 GLU A 65 -14.005 11.563 2.650 1.00 0.00 O ATOM 0 H GLU A 65 -8.514 12.306 3.253 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.793 13.745 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.274 10.819 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.686 11.377 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.949 12.984 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.964 11.763 1.775 1.00 0.00 H new ATOM 992 N GLN A 66 -8.425 12.204 6.009 1.00 0.00 N ATOM 993 CA GLN A 66 -7.859 11.914 7.321 1.00 0.00 C ATOM 994 C GLN A 66 -6.832 12.970 7.716 1.00 0.00 C ATOM 995 O GLN A 66 -5.637 12.837 7.453 1.00 0.00 O ATOM 996 CB GLN A 66 -7.211 10.528 7.326 1.00 0.00 C ATOM 997 CG GLN A 66 -8.215 9.387 7.309 1.00 0.00 C ATOM 998 CD GLN A 66 -9.227 9.484 8.433 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.938 10.026 9.500 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.424 8.957 8.200 1.00 0.00 N ATOM 0 H GLN A 66 -7.775 12.081 5.232 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.669 11.931 8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.557 10.439 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.581 10.434 8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.739 9.383 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.683 8.439 7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.621 8.517 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.146 8.992 8.920 1.00 0.00 H new ATOM 1009 N PRO A 67 -7.307 14.045 8.363 1.00 0.00 N ATOM 1010 CA PRO A 67 -6.446 15.144 8.809 1.00 0.00 C ATOM 1011 C PRO A 67 -5.530 14.735 9.958 1.00 0.00 C ATOM 1012 O PRO A 67 -4.410 15.228 10.077 1.00 0.00 O ATOM 1013 CB PRO A 67 -7.443 16.209 9.273 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.667 15.446 9.644 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.720 14.269 8.710 1.00 0.00 C ATOM 0 HA PRO A 67 -5.776 15.483 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.055 16.772 10.122 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.650 16.929 8.481 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.623 15.118 10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.558 16.065 9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.159 13.395 9.190 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.322 14.484 7.827 1.00 0.00 H new ATOM 1023 N GLY A 68 -6.016 13.830 10.802 1.00 0.00 N ATOM 1024 CA GLY A 68 -5.227 13.370 11.930 1.00 0.00 C ATOM 1025 C GLY A 68 -4.082 12.470 11.509 1.00 0.00 C ATOM 1026 O GLY A 68 -2.915 12.791 11.738 1.00 0.00 O ATOM 0 H GLY A 68 -6.941 13.407 10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.829 14.231 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.872 12.832 12.625 1.00 0.00 H new ATOM 1030 N LEU A 69 -4.414 11.341 10.893 1.00 0.00 N ATOM 1031 CA LEU A 69 -3.405 10.391 10.440 1.00 0.00 C ATOM 1032 C LEU A 69 -2.229 11.114 9.791 1.00 0.00 C ATOM 1033 O LEU A 69 -1.072 10.874 10.137 1.00 0.00 O ATOM 1034 CB LEU A 69 -4.017 9.399 9.450 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.891 8.300 10.055 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.446 7.398 8.963 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -4.101 7.488 11.070 1.00 0.00 C ATOM 0 H LEU A 69 -5.375 11.061 10.696 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.038 9.847 11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.616 9.957 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.208 8.927 8.893 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.729 8.771 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.066 6.622 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.049 7.990 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.622 6.935 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.739 6.711 11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.243 7.028 10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.754 8.143 11.869 1.00 0.00 H new ATOM 1049 N SER A 70 -2.533 12.002 8.851 1.00 0.00 N ATOM 1050 CA SER A 70 -1.501 12.760 8.152 1.00 0.00 C ATOM 1051 C SER A 70 -0.620 13.517 9.141 1.00 0.00 C ATOM 1052 O SER A 70 0.597 13.592 8.975 1.00 0.00 O ATOM 1053 CB SER A 70 -2.138 13.740 7.165 1.00 0.00 C ATOM 1054 OG SER A 70 -1.158 14.569 6.565 1.00 0.00 O ATOM 0 H SER A 70 -3.486 12.215 8.555 1.00 0.00 H new ATOM 0 HA SER A 70 -0.877 12.056 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.673 13.187 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.873 14.357 7.683 1.00 0.00 H new ATOM 0 HG SER A 70 -1.590 15.185 5.937 1.00 0.00 H new ATOM 1060 N GLY A 71 -1.245 14.079 10.171 1.00 0.00 N ATOM 1061 CA GLY A 71 -0.504 14.824 11.172 1.00 0.00 C ATOM 1062 C GLY A 71 0.329 13.926 12.064 1.00 0.00 C ATOM 1063 O GLY A 71 1.531 14.142 12.225 1.00 0.00 O ATOM 0 H GLY A 71 -2.251 14.032 10.330 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.147 15.544 10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.201 15.395 11.786 1.00 0.00 H new ATOM 1067 N ARG A 72 -0.309 12.916 12.647 1.00 0.00 N ATOM 1068 CA ARG A 72 0.381 11.984 13.530 1.00 0.00 C ATOM 1069 C ARG A 72 1.590 11.368 12.832 1.00 0.00 C ATOM 1070 O ARG A 72 2.712 11.437 13.335 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.574 10.879 13.987 1.00 0.00 C ATOM 1072 CG ARG A 72 -1.711 11.381 14.863 1.00 0.00 C ATOM 1073 CD ARG A 72 -2.840 10.366 14.945 1.00 0.00 C ATOM 1074 NE ARG A 72 -4.072 10.959 15.460 1.00 0.00 N ATOM 1075 CZ ARG A 72 -4.324 11.121 16.754 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.435 10.738 17.660 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -5.468 11.669 17.144 1.00 0.00 N ATOM 0 H ARG A 72 -1.303 12.723 12.523 1.00 0.00 H new ATOM 0 HA ARG A 72 0.729 12.538 14.402 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.993 10.386 13.109 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.009 10.126 14.536 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.335 11.591 15.864 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.093 12.320 14.463 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.025 9.948 13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.539 9.540 15.589 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.777 11.265 14.789 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.554 10.317 17.364 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.632 10.864 18.653 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.154 11.966 16.450 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.661 11.793 18.138 1.00 0.00 H new ATOM 1091 N PHE A 73 1.354 10.766 11.671 1.00 0.00 N ATOM 1092 CA PHE A 73 2.423 10.136 10.905 1.00 0.00 C ATOM 1093 C PHE A 73 3.466 11.166 10.480 1.00 0.00 C ATOM 1094 O PHE A 73 3.126 12.249 10.004 1.00 0.00 O ATOM 1095 CB PHE A 73 1.851 9.434 9.672 1.00 0.00 C ATOM 1096 CG PHE A 73 1.394 8.029 9.940 1.00 0.00 C ATOM 1097 CD1 PHE A 73 2.289 6.973 9.883 1.00 0.00 C ATOM 1098 CD2 PHE A 73 0.070 7.764 10.249 1.00 0.00 C ATOM 1099 CE1 PHE A 73 1.872 5.678 10.130 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -0.353 6.472 10.497 1.00 0.00 C ATOM 1101 CZ PHE A 73 0.549 5.427 10.436 1.00 0.00 C ATOM 0 H PHE A 73 0.432 10.701 11.240 1.00 0.00 H new ATOM 0 HA PHE A 73 2.906 9.396 11.543 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.011 10.014 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.609 9.418 8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.325 7.164 9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.640 8.576 10.297 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.580 4.864 10.084 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.388 6.279 10.738 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.220 4.416 10.627 1.00 0.00 H new ATOM 1111 N ILE A 74 4.737 10.819 10.656 1.00 0.00 N ATOM 1112 CA ILE A 74 5.829 11.712 10.291 1.00 0.00 C ATOM 1113 C ILE A 74 6.026 11.750 8.779 1.00 0.00 C ATOM 1114 O ILE A 74 7.143 11.594 8.284 1.00 0.00 O ATOM 1115 CB ILE A 74 7.151 11.288 10.959 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.469 9.828 10.629 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.072 11.492 12.464 1.00 0.00 C ATOM 1118 CD1 ILE A 74 8.386 9.664 9.438 1.00 0.00 C ATOM 0 H ILE A 74 5.035 9.926 11.049 1.00 0.00 H new ATOM 0 HA ILE A 74 5.555 12.706 10.645 1.00 0.00 H new ATOM 0 HB ILE A 74 7.955 11.912 10.569 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.929 9.359 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.537 9.296 10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.013 11.188 12.922 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.887 12.544 12.679 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.259 10.890 12.871 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.568 8.604 9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.919 10.103 8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.333 10.167 9.636 1.00 0.00 H new ATOM 1130 N ILE A 75 4.935 11.959 8.051 1.00 0.00 N ATOM 1131 CA ILE A 75 4.988 12.021 6.595 1.00 0.00 C ATOM 1132 C ILE A 75 5.688 13.291 6.124 1.00 0.00 C ATOM 1133 O ILE A 75 5.603 14.335 6.769 1.00 0.00 O ATOM 1134 CB ILE A 75 3.579 11.966 5.978 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.792 10.785 6.551 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.668 11.863 4.462 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.454 9.446 6.315 1.00 0.00 C ATOM 0 H ILE A 75 4.003 12.088 8.445 1.00 0.00 H new ATOM 0 HA ILE A 75 5.555 11.152 6.263 1.00 0.00 H new ATOM 0 HB ILE A 75 3.053 12.886 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.661 10.932 7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.797 10.772 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.664 11.825 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.194 12.733 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.210 10.957 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.841 8.656 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.561 9.277 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.438 9.439 6.783 1.00 0.00 H new ATOM 1149 N ASN A 76 6.380 13.194 4.993 1.00 0.00 N ATOM 1150 CA ASN A 76 7.094 14.336 4.434 1.00 0.00 C ATOM 1151 C ASN A 76 6.642 14.612 3.003 1.00 0.00 C ATOM 1152 O ASN A 76 6.382 15.757 2.633 1.00 0.00 O ATOM 1153 CB ASN A 76 8.603 14.085 4.464 1.00 0.00 C ATOM 1154 CG ASN A 76 9.173 14.159 5.868 1.00 0.00 C ATOM 1155 OD1 ASN A 76 9.602 15.221 6.320 1.00 0.00 O ATOM 1156 ND2 ASN A 76 9.180 13.028 6.564 1.00 0.00 N ATOM 0 H ASN A 76 6.461 12.337 4.446 1.00 0.00 H new ATOM 0 HA ASN A 76 6.865 15.210 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.814 13.103 4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.103 14.819 3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.551 13.016 7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.814 12.171 6.149 1.00 0.00 H new ATOM 1163 N ALA A 77 6.550 13.555 2.202 1.00 0.00 N ATOM 1164 CA ALA A 77 6.128 13.683 0.813 1.00 0.00 C ATOM 1165 C ALA A 77 5.242 12.513 0.399 1.00 0.00 C ATOM 1166 O ALA A 77 4.999 11.596 1.185 1.00 0.00 O ATOM 1167 CB ALA A 77 7.340 13.780 -0.101 1.00 0.00 C ATOM 0 H ALA A 77 6.762 12.600 2.492 1.00 0.00 H new ATOM 0 HA ALA A 77 5.544 14.598 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.009 13.875 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.933 14.653 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.948 12.881 0.004 1.00 0.00 H new ATOM 1173 N LEU A 78 4.763 12.550 -0.839 1.00 0.00 N ATOM 1174 CA LEU A 78 3.903 11.491 -1.359 1.00 0.00 C ATOM 1175 C LEU A 78 4.194 11.227 -2.832 1.00 0.00 C ATOM 1176 O LEU A 78 4.615 12.114 -3.576 1.00 0.00 O ATOM 1177 CB LEU A 78 2.431 11.868 -1.177 1.00 0.00 C ATOM 1178 CG LEU A 78 2.007 12.254 0.240 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.777 13.147 0.204 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.741 11.010 1.075 1.00 0.00 C ATOM 0 H LEU A 78 4.955 13.301 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 78 4.111 10.580 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.205 12.702 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.819 11.027 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 78 2.822 12.811 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.490 13.412 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.002 14.054 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.044 12.616 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.440 11.304 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.944 10.426 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.648 10.407 1.129 1.00 0.00 H new ATOM 1192 N PRO A 79 3.964 9.979 -3.267 1.00 0.00 N ATOM 1193 CA PRO A 79 3.464 8.916 -2.391 1.00 0.00 C ATOM 1194 C PRO A 79 4.503 8.472 -1.367 1.00 0.00 C ATOM 1195 O PRO A 79 5.672 8.850 -1.448 1.00 0.00 O ATOM 1196 CB PRO A 79 3.150 7.775 -3.362 1.00 0.00 C ATOM 1197 CG PRO A 79 4.039 8.017 -4.532 1.00 0.00 C ATOM 1198 CD PRO A 79 4.174 9.511 -4.647 1.00 0.00 C ATOM 0 HA PRO A 79 2.606 9.242 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.348 6.804 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.100 7.782 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.012 7.547 -4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.612 7.592 -5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.156 9.798 -5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.435 9.930 -5.330 1.00 0.00 H new ATOM 1206 N THR A 80 4.070 7.667 -0.401 1.00 0.00 N ATOM 1207 CA THR A 80 4.962 7.173 0.640 1.00 0.00 C ATOM 1208 C THR A 80 4.388 5.930 1.311 1.00 0.00 C ATOM 1209 O THR A 80 3.367 5.999 1.996 1.00 0.00 O ATOM 1210 CB THR A 80 5.224 8.247 1.712 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.949 9.342 1.141 1.00 0.00 O ATOM 1212 CG2 THR A 80 6.009 7.667 2.879 1.00 0.00 C ATOM 0 H THR A 80 3.106 7.343 -0.319 1.00 0.00 H new ATOM 0 HA THR A 80 5.904 6.918 0.154 1.00 0.00 H new ATOM 0 HB THR A 80 4.262 8.602 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.711 10.170 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.182 8.444 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.442 6.853 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.966 7.288 2.521 1.00 0.00 H new ATOM 1220 N ILE A 81 5.051 4.796 1.112 1.00 0.00 N ATOM 1221 CA ILE A 81 4.607 3.539 1.700 1.00 0.00 C ATOM 1222 C ILE A 81 5.365 3.237 2.989 1.00 0.00 C ATOM 1223 O ILE A 81 6.582 3.409 3.061 1.00 0.00 O ATOM 1224 CB ILE A 81 4.792 2.363 0.722 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.957 2.586 -0.541 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.410 1.052 1.392 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.457 1.811 -1.740 1.00 0.00 C ATOM 0 H ILE A 81 5.898 4.722 0.548 1.00 0.00 H new ATOM 0 HA ILE A 81 3.546 3.652 1.923 1.00 0.00 H new ATOM 0 HB ILE A 81 5.842 2.309 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.924 2.301 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.953 3.649 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.546 0.231 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.043 0.891 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.366 1.093 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.818 2.017 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.479 2.113 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.434 0.744 -1.519 1.00 0.00 H new ATOM 1239 N TYR A 82 4.637 2.785 4.004 1.00 0.00 N ATOM 1240 CA TYR A 82 5.240 2.459 5.291 1.00 0.00 C ATOM 1241 C TYR A 82 4.887 1.036 5.713 1.00 0.00 C ATOM 1242 O TYR A 82 3.731 0.620 5.631 1.00 0.00 O ATOM 1243 CB TYR A 82 4.777 3.450 6.360 1.00 0.00 C ATOM 1244 CG TYR A 82 5.665 4.667 6.483 1.00 0.00 C ATOM 1245 CD1 TYR A 82 7.027 4.536 6.723 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.142 5.949 6.358 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.842 5.646 6.837 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.950 7.064 6.469 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.299 6.907 6.709 1.00 0.00 C ATOM 1250 OH TYR A 82 8.108 8.015 6.820 1.00 0.00 O ATOM 0 H TYR A 82 3.629 2.636 3.961 1.00 0.00 H new ATOM 0 HA TYR A 82 6.323 2.529 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.762 3.773 6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.738 2.941 7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.456 3.550 6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.086 6.075 6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.899 5.527 7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.528 8.053 6.368 1.00 0.00 H new ATOM 0 HH TYR A 82 7.570 8.826 6.704 1.00 0.00 H new ATOM 1260 N HIS A 83 5.892 0.294 6.166 1.00 0.00 N ATOM 1261 CA HIS A 83 5.690 -1.083 6.604 1.00 0.00 C ATOM 1262 C HIS A 83 5.680 -1.173 8.127 1.00 0.00 C ATOM 1263 O HIS A 83 6.698 -0.936 8.778 1.00 0.00 O ATOM 1264 CB HIS A 83 6.783 -1.987 6.034 1.00 0.00 C ATOM 1265 CG HIS A 83 6.617 -3.430 6.400 1.00 0.00 C ATOM 1266 ND1 HIS A 83 5.657 -4.324 6.066 1.00 0.00 N flip ATOM 1267 CD2 HIS A 83 7.506 -4.109 7.207 1.00 0.00 C flip ATOM 1268 CE1 HIS A 83 5.981 -5.514 6.670 1.00 0.00 C flip ATOM 1269 NE2 HIS A 83 7.101 -5.358 7.351 1.00 0.00 N flip ATOM 0 H HIS A 83 6.855 0.623 6.240 1.00 0.00 H new ATOM 0 HA HIS A 83 4.722 -1.418 6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.790 -1.894 4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.753 -1.639 6.390 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.844 -4.147 5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.394 -3.686 7.652 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.412 -6.429 6.599 1.00 0.00 H new ATOM 1278 N CYS A 84 4.526 -1.516 8.687 1.00 0.00 N ATOM 1279 CA CYS A 84 4.384 -1.636 10.134 1.00 0.00 C ATOM 1280 C CYS A 84 4.372 -3.100 10.559 1.00 0.00 C ATOM 1281 O CYS A 84 3.401 -3.819 10.325 1.00 0.00 O ATOM 1282 CB CYS A 84 3.100 -0.947 10.600 1.00 0.00 C ATOM 1283 SG CYS A 84 3.191 -0.272 12.275 1.00 0.00 S ATOM 0 H CYS A 84 3.675 -1.716 8.162 1.00 0.00 H new ATOM 0 HA CYS A 84 5.240 -1.148 10.600 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.861 -0.140 9.907 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.279 -1.662 10.552 1.00 0.00 H new ATOM 0 HG CYS A 84 3.401 1.010 12.216 1.00 0.00 H new ATOM 1289 N LYS A 85 5.460 -3.538 11.185 1.00 0.00 N ATOM 1290 CA LYS A 85 5.577 -4.917 11.644 1.00 0.00 C ATOM 1291 C LYS A 85 5.922 -4.969 13.129 1.00 0.00 C ATOM 1292 O LYS A 85 7.013 -4.571 13.536 1.00 0.00 O ATOM 1293 CB LYS A 85 6.646 -5.656 10.835 1.00 0.00 C ATOM 1294 CG LYS A 85 6.853 -7.095 11.273 1.00 0.00 C ATOM 1295 CD LYS A 85 8.200 -7.629 10.816 1.00 0.00 C ATOM 1296 CE LYS A 85 8.204 -9.149 10.751 1.00 0.00 C ATOM 1297 NZ LYS A 85 7.737 -9.648 9.428 1.00 0.00 N ATOM 0 H LYS A 85 6.274 -2.957 11.386 1.00 0.00 H new ATOM 0 HA LYS A 85 4.614 -5.406 11.496 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.367 -5.642 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.591 -5.119 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.785 -7.159 12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.057 -7.718 10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.440 -7.221 9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.978 -7.291 11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.211 -9.518 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.563 -9.548 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.722 -10.688 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.779 -9.289 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.383 -9.316 8.684 1.00 0.00 H new ATOM 1311 N ASP A 86 4.986 -5.463 13.931 1.00 0.00 N ATOM 1312 CA ASP A 86 5.192 -5.570 15.371 1.00 0.00 C ATOM 1313 C ASP A 86 5.527 -4.209 15.974 1.00 0.00 C ATOM 1314 O ASP A 86 6.308 -4.113 16.920 1.00 0.00 O ATOM 1315 CB ASP A 86 6.312 -6.566 15.675 1.00 0.00 C ATOM 1316 CG ASP A 86 5.797 -7.981 15.848 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.599 -8.142 16.159 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.593 -8.928 15.673 1.00 0.00 O ATOM 0 H ASP A 86 4.077 -5.796 13.609 1.00 0.00 H new ATOM 0 HA ASP A 86 4.266 -5.929 15.820 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.043 -6.545 14.866 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.832 -6.258 16.582 1.00 0.00 H new ATOM 1323 N GLY A 87 4.930 -3.158 15.419 1.00 0.00 N ATOM 1324 CA GLY A 87 5.179 -1.817 15.915 1.00 0.00 C ATOM 1325 C GLY A 87 6.470 -1.231 15.379 1.00 0.00 C ATOM 1326 O GLY A 87 7.078 -0.370 16.014 1.00 0.00 O ATOM 0 H GLY A 87 4.279 -3.211 14.636 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.347 -1.170 15.637 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.217 -1.837 17.004 1.00 0.00 H new ATOM 1330 N GLU A 88 6.889 -1.699 14.208 1.00 0.00 N ATOM 1331 CA GLU A 88 8.119 -1.217 13.589 1.00 0.00 C ATOM 1332 C GLU A 88 7.845 -0.665 12.193 1.00 0.00 C ATOM 1333 O GLU A 88 7.535 -1.415 11.267 1.00 0.00 O ATOM 1334 CB GLU A 88 9.152 -2.342 13.511 1.00 0.00 C ATOM 1335 CG GLU A 88 9.690 -2.770 14.866 1.00 0.00 C ATOM 1336 CD GLU A 88 10.900 -1.963 15.295 1.00 0.00 C ATOM 1337 OE1 GLU A 88 11.590 -1.412 14.413 1.00 0.00 O ATOM 1338 OE2 GLU A 88 11.156 -1.883 16.515 1.00 0.00 O ATOM 0 H GLU A 88 6.396 -2.411 13.669 1.00 0.00 H new ATOM 0 HA GLU A 88 8.516 -0.412 14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.701 -3.204 13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.984 -2.017 12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.904 -2.665 15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.957 -3.826 14.830 1.00 0.00 H new ATOM 1345 N PHE A 89 7.961 0.651 12.050 1.00 0.00 N ATOM 1346 CA PHE A 89 7.724 1.304 10.768 1.00 0.00 C ATOM 1347 C PHE A 89 9.013 1.391 9.956 1.00 0.00 C ATOM 1348 O PHE A 89 10.034 1.879 10.441 1.00 0.00 O ATOM 1349 CB PHE A 89 7.149 2.706 10.984 1.00 0.00 C ATOM 1350 CG PHE A 89 5.700 2.705 11.377 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.712 2.494 10.429 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.325 2.916 12.694 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.377 2.493 10.787 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.992 2.915 13.058 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.017 2.704 12.104 1.00 0.00 C ATOM 0 H PHE A 89 8.218 1.286 12.806 1.00 0.00 H new ATOM 0 HA PHE A 89 7.003 0.705 10.211 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.727 3.212 11.758 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.268 3.284 10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.988 2.328 9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.083 3.083 13.445 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.616 2.328 10.038 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.713 3.079 14.088 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.975 2.704 12.387 1.00 0.00 H new ATOM 1365 N ARG A 90 8.958 0.913 8.717 1.00 0.00 N ATOM 1366 CA ARG A 90 10.120 0.934 7.837 1.00 0.00 C ATOM 1367 C ARG A 90 9.743 1.445 6.450 1.00 0.00 C ATOM 1368 O ARG A 90 9.152 0.720 5.650 1.00 0.00 O ATOM 1369 CB ARG A 90 10.730 -0.464 7.729 1.00 0.00 C ATOM 1370 CG ARG A 90 11.642 -0.823 8.890 1.00 0.00 C ATOM 1371 CD ARG A 90 12.453 -2.075 8.596 1.00 0.00 C ATOM 1372 NE ARG A 90 13.232 -2.507 9.753 1.00 0.00 N ATOM 1373 CZ ARG A 90 12.704 -3.115 10.809 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.402 -3.362 10.854 1.00 0.00 N ATOM 1375 NH2 ARG A 90 13.479 -3.478 11.824 1.00 0.00 N ATOM 0 H ARG A 90 8.121 0.506 8.300 1.00 0.00 H new ATOM 0 HA ARG A 90 10.857 1.612 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.926 -1.198 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.295 -0.534 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.316 0.009 9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.045 -0.978 9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.782 -2.878 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.124 -1.884 7.758 1.00 0.00 H new ATOM 0 HE ARG A 90 14.237 -2.332 9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.803 -3.085 10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.999 -3.829 11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.481 -3.290 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.072 -3.945 12.635 1.00 0.00 H new ATOM 1389 N ARG A 91 10.089 2.698 6.172 1.00 0.00 N ATOM 1390 CA ARG A 91 9.785 3.307 4.882 1.00 0.00 C ATOM 1391 C ARG A 91 10.173 2.376 3.737 1.00 0.00 C ATOM 1392 O ARG A 91 11.298 1.879 3.682 1.00 0.00 O ATOM 1393 CB ARG A 91 10.518 4.642 4.739 1.00 0.00 C ATOM 1394 CG ARG A 91 9.938 5.542 3.660 1.00 0.00 C ATOM 1395 CD ARG A 91 10.322 6.997 3.883 1.00 0.00 C ATOM 1396 NE ARG A 91 9.924 7.845 2.763 1.00 0.00 N ATOM 1397 CZ ARG A 91 10.686 8.058 1.696 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.879 7.487 1.604 1.00 0.00 N ATOM 1399 NH2 ARG A 91 10.254 8.844 0.717 1.00 0.00 N ATOM 0 H ARG A 91 10.580 3.311 6.823 1.00 0.00 H new ATOM 0 HA ARG A 91 8.710 3.484 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.488 5.167 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.567 4.449 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.294 5.216 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.852 5.448 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.853 7.360 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.400 7.070 4.028 1.00 0.00 H new ATOM 0 HE ARG A 91 9.011 8.299 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.214 6.882 2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.462 7.653 0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.337 9.285 0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.840 9.007 -0.102 1.00 0.00 H new ATOM 1413 N TYR A 92 9.234 2.144 2.826 1.00 0.00 N ATOM 1414 CA TYR A 92 9.477 1.271 1.684 1.00 0.00 C ATOM 1415 C TYR A 92 10.786 1.633 0.990 1.00 0.00 C ATOM 1416 O TYR A 92 11.711 0.823 0.925 1.00 0.00 O ATOM 1417 CB TYR A 92 8.318 1.362 0.691 1.00 0.00 C ATOM 1418 CG TYR A 92 8.301 0.242 -0.325 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.338 -1.087 0.077 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.246 0.513 -1.687 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.323 -2.114 -0.847 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.230 -0.507 -2.618 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.269 -1.819 -2.193 1.00 0.00 C ATOM 1424 OH TYR A 92 8.253 -2.838 -3.117 1.00 0.00 O ATOM 0 H TYR A 92 8.298 2.548 2.856 1.00 0.00 H new ATOM 0 HA TYR A 92 9.553 0.247 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.377 1.356 1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.374 2.316 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.379 -1.322 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.215 1.539 -2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.353 -3.142 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.187 -0.279 -3.673 1.00 0.00 H new ATOM 0 HH TYR A 92 7.354 -2.918 -3.500 1.00 0.00 H new ATOM 1434 N GLN A 93 10.856 2.856 0.473 1.00 0.00 N ATOM 1435 CA GLN A 93 12.052 3.326 -0.216 1.00 0.00 C ATOM 1436 C GLN A 93 12.371 2.441 -1.416 1.00 0.00 C ATOM 1437 O GLN A 93 13.530 2.111 -1.666 1.00 0.00 O ATOM 1438 CB GLN A 93 13.242 3.354 0.744 1.00 0.00 C ATOM 1439 CG GLN A 93 13.022 4.237 1.961 1.00 0.00 C ATOM 1440 CD GLN A 93 14.273 4.395 2.802 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.195 5.122 2.434 1.00 0.00 O ATOM 1442 NE2 GLN A 93 14.311 3.712 3.940 1.00 0.00 N ATOM 0 H GLN A 93 10.099 3.538 0.518 1.00 0.00 H new ATOM 0 HA GLN A 93 11.861 4.338 -0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.454 2.338 1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.123 3.704 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.682 5.220 1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.228 3.812 2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.524 3.121 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.127 3.779 4.548 1.00 0.00 H new ATOM 1451 N GLY A 94 11.335 2.058 -2.157 1.00 0.00 N ATOM 1452 CA GLY A 94 11.527 1.214 -3.321 1.00 0.00 C ATOM 1453 C GLY A 94 10.891 1.795 -4.569 1.00 0.00 C ATOM 1454 O GLY A 94 10.296 2.872 -4.544 1.00 0.00 O ATOM 0 H GLY A 94 10.366 2.318 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.594 1.074 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.103 0.229 -3.126 1.00 0.00 H new ATOM 1458 N PRO A 95 11.016 1.073 -5.692 1.00 0.00 N ATOM 1459 CA PRO A 95 10.456 1.503 -6.977 1.00 0.00 C ATOM 1460 C PRO A 95 8.933 1.447 -6.993 1.00 0.00 C ATOM 1461 O PRO A 95 8.299 1.826 -7.979 1.00 0.00 O ATOM 1462 CB PRO A 95 11.040 0.498 -7.973 1.00 0.00 C ATOM 1463 CG PRO A 95 11.327 -0.717 -7.161 1.00 0.00 C ATOM 1464 CD PRO A 95 11.713 -0.221 -5.795 1.00 0.00 C ATOM 0 HA PRO A 95 10.704 2.540 -7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.335 0.280 -8.775 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.946 0.885 -8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.453 -1.366 -7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.132 -1.302 -7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.397 -0.911 -5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.793 -0.105 -5.700 1.00 0.00 H new ATOM 1472 N ARG A 96 8.351 0.972 -5.897 1.00 0.00 N ATOM 1473 CA ARG A 96 6.901 0.866 -5.787 1.00 0.00 C ATOM 1474 C ARG A 96 6.326 0.055 -6.944 1.00 0.00 C ATOM 1475 O ARG A 96 5.300 0.418 -7.522 1.00 0.00 O ATOM 1476 CB ARG A 96 6.267 2.257 -5.760 1.00 0.00 C ATOM 1477 CG ARG A 96 6.748 3.124 -4.607 1.00 0.00 C ATOM 1478 CD ARG A 96 5.827 4.312 -4.381 1.00 0.00 C ATOM 1479 NE ARG A 96 6.504 5.406 -3.690 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.495 6.111 -4.224 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.922 5.837 -5.449 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.061 7.091 -3.532 1.00 0.00 N ATOM 0 H ARG A 96 8.861 0.654 -5.073 1.00 0.00 H new ATOM 0 HA ARG A 96 6.669 0.351 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.484 2.764 -6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.184 2.152 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.801 2.525 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.758 3.479 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.451 4.667 -5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.963 3.995 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 96 6.199 5.642 -2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.489 5.084 -5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.683 6.380 -5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.735 7.304 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.822 7.632 -3.943 1.00 0.00 H new ATOM 1496 N THR A 97 6.993 -1.045 -7.279 1.00 0.00 N ATOM 1497 CA THR A 97 6.550 -1.906 -8.368 1.00 0.00 C ATOM 1498 C THR A 97 6.031 -3.238 -7.840 1.00 0.00 C ATOM 1499 O THR A 97 6.635 -3.844 -6.954 1.00 0.00 O ATOM 1500 CB THR A 97 7.687 -2.173 -9.372 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.871 -2.575 -8.675 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.978 -0.932 -10.203 1.00 0.00 C ATOM 0 H THR A 97 7.843 -1.361 -6.811 1.00 0.00 H new ATOM 0 HA THR A 97 5.742 -1.380 -8.877 1.00 0.00 H new ATOM 0 HB THR A 97 7.371 -2.973 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.270 -3.347 -9.127 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.784 -1.145 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.083 -0.646 -10.755 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.276 -0.115 -9.545 1.00 0.00 H new ATOM 1510 N LYS A 98 4.909 -3.691 -8.389 1.00 0.00 N ATOM 1511 CA LYS A 98 4.309 -4.954 -7.974 1.00 0.00 C ATOM 1512 C LYS A 98 5.384 -5.980 -7.631 1.00 0.00 C ATOM 1513 O LYS A 98 5.508 -6.405 -6.482 1.00 0.00 O ATOM 1514 CB LYS A 98 3.403 -5.499 -9.080 1.00 0.00 C ATOM 1515 CG LYS A 98 2.226 -6.306 -8.560 1.00 0.00 C ATOM 1516 CD LYS A 98 1.594 -7.143 -9.659 1.00 0.00 C ATOM 1517 CE LYS A 98 2.374 -8.426 -9.900 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.960 -9.098 -11.163 1.00 0.00 N ATOM 0 H LYS A 98 4.396 -3.202 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 98 3.711 -4.768 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.027 -4.666 -9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.995 -6.125 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.559 -6.957 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.479 -5.632 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.567 -7.386 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.552 -6.563 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.440 -8.201 -9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.224 -9.105 -9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.515 -9.968 -11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.949 -9.336 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.127 -8.460 -11.967 1.00 0.00 H new ATOM 1532 N LYS A 99 6.161 -6.375 -8.635 1.00 0.00 N ATOM 1533 CA LYS A 99 7.228 -7.349 -8.440 1.00 0.00 C ATOM 1534 C LYS A 99 8.041 -7.023 -7.191 1.00 0.00 C ATOM 1535 O LYS A 99 8.063 -7.797 -6.234 1.00 0.00 O ATOM 1536 CB LYS A 99 8.145 -7.383 -9.664 1.00 0.00 C ATOM 1537 CG LYS A 99 9.353 -8.288 -9.493 1.00 0.00 C ATOM 1538 CD LYS A 99 10.538 -7.796 -10.308 1.00 0.00 C ATOM 1539 CE LYS A 99 11.407 -6.840 -9.506 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.535 -6.302 -10.317 1.00 0.00 N ATOM 0 H LYS A 99 6.071 -6.035 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 99 6.771 -8.330 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.571 -7.716 -10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.487 -6.371 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.629 -8.333 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.095 -9.302 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.136 -8.647 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.180 -7.296 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.797 -6.014 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.803 -7.356 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.104 -5.655 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.132 -7.088 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.158 -5.788 -11.138 1.00 0.00 H new ATOM 1554 N ASP A 100 8.705 -5.873 -7.207 1.00 0.00 N ATOM 1555 CA ASP A 100 9.518 -5.444 -6.074 1.00 0.00 C ATOM 1556 C ASP A 100 8.829 -5.776 -4.754 1.00 0.00 C ATOM 1557 O ASP A 100 9.358 -6.531 -3.939 1.00 0.00 O ATOM 1558 CB ASP A 100 9.792 -3.941 -6.156 1.00 0.00 C ATOM 1559 CG ASP A 100 10.997 -3.619 -7.017 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.924 -3.832 -8.245 1.00 0.00 O ATOM 1561 OD2 ASP A 100 12.014 -3.152 -6.462 1.00 0.00 O ATOM 0 H ASP A 100 8.697 -5.221 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 100 10.465 -5.981 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.915 -3.436 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.951 -3.548 -5.152 1.00 0.00 H new ATOM 1566 N PHE A 101 7.645 -5.207 -4.550 1.00 0.00 N ATOM 1567 CA PHE A 101 6.885 -5.441 -3.328 1.00 0.00 C ATOM 1568 C PHE A 101 7.045 -6.884 -2.856 1.00 0.00 C ATOM 1569 O PHE A 101 7.575 -7.138 -1.774 1.00 0.00 O ATOM 1570 CB PHE A 101 5.404 -5.129 -3.556 1.00 0.00 C ATOM 1571 CG PHE A 101 5.101 -3.658 -3.595 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.272 -2.872 -2.467 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.646 -3.062 -4.760 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.993 -1.519 -2.500 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.366 -1.709 -4.799 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.541 -0.936 -3.668 1.00 0.00 C ATOM 0 H PHE A 101 7.192 -4.581 -5.215 1.00 0.00 H new ATOM 0 HA PHE A 101 7.274 -4.779 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.086 -5.583 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.817 -5.592 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.627 -3.322 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.509 -3.661 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.128 -0.918 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.011 -1.257 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.325 0.122 -3.697 1.00 0.00 H new ATOM 1586 N ILE A 102 6.583 -7.822 -3.675 1.00 0.00 N ATOM 1587 CA ILE A 102 6.674 -9.238 -3.342 1.00 0.00 C ATOM 1588 C ILE A 102 7.940 -9.535 -2.545 1.00 0.00 C ATOM 1589 O ILE A 102 7.878 -9.849 -1.357 1.00 0.00 O ATOM 1590 CB ILE A 102 6.661 -10.116 -4.607 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.265 -10.125 -5.234 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.107 -11.532 -4.274 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.085 -9.089 -6.321 1.00 0.00 C ATOM 0 H ILE A 102 6.142 -7.627 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 102 5.800 -9.476 -2.735 1.00 0.00 H new ATOM 0 HB ILE A 102 7.361 -9.696 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.068 -11.113 -5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.524 -9.954 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.092 -12.140 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.118 -11.509 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.430 -11.963 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.073 -9.153 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.250 -8.094 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.803 -9.272 -7.121 1.00 0.00 H new ATOM 1605 N ASN A 103 9.088 -9.430 -3.206 1.00 0.00 N ATOM 1606 CA ASN A 103 10.370 -9.685 -2.559 1.00 0.00 C ATOM 1607 C ASN A 103 10.454 -8.964 -1.217 1.00 0.00 C ATOM 1608 O ASN A 103 10.746 -9.576 -0.189 1.00 0.00 O ATOM 1609 CB ASN A 103 11.520 -9.238 -3.464 1.00 0.00 C ATOM 1610 CG ASN A 103 11.368 -9.746 -4.885 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.188 -10.942 -5.112 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.442 -8.836 -5.849 1.00 0.00 N ATOM 0 H ASN A 103 9.157 -9.170 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 103 10.453 -10.757 -2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.569 -8.149 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.463 -9.596 -3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.348 -9.118 -6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.592 -7.855 -5.614 1.00 0.00 H new ATOM 1619 N PHE A 104 10.196 -7.661 -1.234 1.00 0.00 N ATOM 1620 CA PHE A 104 10.243 -6.856 -0.019 1.00 0.00 C ATOM 1621 C PHE A 104 9.526 -7.562 1.129 1.00 0.00 C ATOM 1622 O PHE A 104 9.895 -7.407 2.293 1.00 0.00 O ATOM 1623 CB PHE A 104 9.610 -5.485 -0.265 1.00 0.00 C ATOM 1624 CG PHE A 104 9.670 -4.575 0.928 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.876 -4.039 1.348 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.519 -4.255 1.631 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.935 -3.200 2.445 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.571 -3.417 2.728 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.780 -2.890 3.137 1.00 0.00 C ATOM 0 H PHE A 104 9.952 -7.140 -2.076 1.00 0.00 H new ATOM 0 HA PHE A 104 11.289 -6.721 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.115 -5.006 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.568 -5.621 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.782 -4.280 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.571 -4.666 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.882 -2.788 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.666 -3.174 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.823 -2.237 3.996 1.00 0.00 H new ATOM 1639 N ILE A 105 8.500 -8.335 0.791 1.00 0.00 N ATOM 1640 CA ILE A 105 7.731 -9.064 1.792 1.00 0.00 C ATOM 1641 C ILE A 105 8.298 -10.463 2.008 1.00 0.00 C ATOM 1642 O ILE A 105 8.724 -10.808 3.111 1.00 0.00 O ATOM 1643 CB ILE A 105 6.249 -9.180 1.390 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.628 -7.789 1.243 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.484 -10.002 2.416 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.658 -6.977 2.519 1.00 0.00 C ATOM 0 H ILE A 105 8.182 -8.473 -0.168 1.00 0.00 H new ATOM 0 HA ILE A 105 7.804 -8.497 2.720 1.00 0.00 H new ATOM 0 HB ILE A 105 6.188 -9.689 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.158 -7.244 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.595 -7.894 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.438 -10.075 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.915 -11.002 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.550 -9.520 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.202 -6.003 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.103 -7.501 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.691 -6.841 2.839 1.00 0.00 H new ATOM 1658 N SER A 106 8.302 -11.265 0.948 1.00 0.00 N ATOM 1659 CA SER A 106 8.815 -12.628 1.022 1.00 0.00 C ATOM 1660 C SER A 106 10.285 -12.634 1.431 1.00 0.00 C ATOM 1661 O SER A 106 10.672 -13.306 2.388 1.00 0.00 O ATOM 1662 CB SER A 106 8.647 -13.332 -0.326 1.00 0.00 C ATOM 1663 OG SER A 106 9.034 -14.693 -0.242 1.00 0.00 O ATOM 0 H SER A 106 7.956 -10.994 0.028 1.00 0.00 H new ATOM 0 HA SER A 106 8.243 -13.165 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.608 -13.265 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.248 -12.826 -1.082 1.00 0.00 H new ATOM 0 HG SER A 106 8.916 -15.121 -1.116 1.00 0.00 H new ATOM 1669 N ASP A 107 11.099 -11.880 0.700 1.00 0.00 N ATOM 1670 CA ASP A 107 12.526 -11.796 0.987 1.00 0.00 C ATOM 1671 C ASP A 107 12.785 -10.916 2.206 1.00 0.00 C ATOM 1672 O ASP A 107 13.933 -10.625 2.543 1.00 0.00 O ATOM 1673 CB ASP A 107 13.280 -11.246 -0.225 1.00 0.00 C ATOM 1674 CG ASP A 107 13.485 -12.291 -1.303 1.00 0.00 C ATOM 1675 OD1 ASP A 107 13.701 -13.470 -0.953 1.00 0.00 O ATOM 1676 OD2 ASP A 107 13.429 -11.930 -2.498 1.00 0.00 O ATOM 0 H ASP A 107 10.795 -11.318 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 107 12.887 -12.801 1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.728 -10.403 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.249 -10.865 0.096 1.00 0.00 H new ATOM 1681 N LYS A 108 11.711 -10.494 2.864 1.00 0.00 N ATOM 1682 CA LYS A 108 11.820 -9.647 4.045 1.00 0.00 C ATOM 1683 C LYS A 108 12.974 -8.661 3.903 1.00 0.00 C ATOM 1684 O LYS A 108 13.842 -8.578 4.771 1.00 0.00 O ATOM 1685 CB LYS A 108 12.020 -10.506 5.296 1.00 0.00 C ATOM 1686 CG LYS A 108 11.213 -11.792 5.287 1.00 0.00 C ATOM 1687 CD LYS A 108 9.834 -11.590 5.892 1.00 0.00 C ATOM 1688 CE LYS A 108 9.091 -12.909 6.041 1.00 0.00 C ATOM 1689 NZ LYS A 108 9.707 -13.778 7.082 1.00 0.00 N ATOM 0 H LYS A 108 10.754 -10.725 2.599 1.00 0.00 H new ATOM 0 HA LYS A 108 10.893 -9.082 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.078 -10.751 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.747 -9.922 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.113 -12.152 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.747 -12.561 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.930 -11.113 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.255 -10.914 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.051 -12.713 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.087 -13.434 5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.052 -14.549 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.595 -14.179 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.905 -13.214 7.933 1.00 0.00 H new ATOM 1703 N GLU A 109 12.977 -7.914 2.803 1.00 0.00 N ATOM 1704 CA GLU A 109 14.025 -6.933 2.549 1.00 0.00 C ATOM 1705 C GLU A 109 13.964 -5.796 3.566 1.00 0.00 C ATOM 1706 O GLU A 109 14.952 -5.098 3.791 1.00 0.00 O ATOM 1707 CB GLU A 109 13.896 -6.371 1.132 1.00 0.00 C ATOM 1708 CG GLU A 109 14.013 -7.428 0.046 1.00 0.00 C ATOM 1709 CD GLU A 109 14.509 -6.860 -1.270 1.00 0.00 C ATOM 1710 OE1 GLU A 109 15.741 -6.802 -1.465 1.00 0.00 O ATOM 1711 OE2 GLU A 109 13.665 -6.473 -2.105 1.00 0.00 O ATOM 0 H GLU A 109 12.266 -7.970 2.074 1.00 0.00 H new ATOM 0 HA GLU A 109 14.988 -7.434 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.934 -5.868 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.667 -5.616 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.694 -8.212 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.040 -7.895 -0.108 1.00 0.00 H new ATOM 1718 N TRP A 110 12.797 -5.617 4.174 1.00 0.00 N ATOM 1719 CA TRP A 110 12.607 -4.565 5.166 1.00 0.00 C ATOM 1720 C TRP A 110 13.719 -4.592 6.209 1.00 0.00 C ATOM 1721 O TRP A 110 14.087 -3.558 6.766 1.00 0.00 O ATOM 1722 CB TRP A 110 11.247 -4.719 5.849 1.00 0.00 C ATOM 1723 CG TRP A 110 10.934 -6.133 6.237 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.331 -7.081 5.461 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.206 -6.756 7.496 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.212 -8.257 6.162 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.743 -8.084 7.413 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.799 -6.323 8.685 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 10.853 -8.978 8.475 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 11.907 -7.212 9.738 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.437 -8.527 9.627 1.00 0.00 C ATOM 0 H TRP A 110 11.969 -6.186 3.998 1.00 0.00 H new ATOM 0 HA TRP A 110 12.641 -3.605 4.651 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.223 -4.091 6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.469 -4.353 5.180 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.997 -6.929 4.445 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.796 -9.119 5.808 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.166 -5.312 8.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.490 -9.992 8.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.362 -6.887 10.662 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.538 -9.198 10.467 1.00 0.00 H new ATOM 1742 N LYS A 111 14.250 -5.781 6.470 1.00 0.00 N ATOM 1743 CA LYS A 111 15.322 -5.944 7.445 1.00 0.00 C ATOM 1744 C LYS A 111 16.475 -4.990 7.150 1.00 0.00 C ATOM 1745 O LYS A 111 16.989 -4.325 8.050 1.00 0.00 O ATOM 1746 CB LYS A 111 15.827 -7.388 7.443 1.00 0.00 C ATOM 1747 CG LYS A 111 15.128 -8.279 8.455 1.00 0.00 C ATOM 1748 CD LYS A 111 13.939 -8.997 7.839 1.00 0.00 C ATOM 1749 CE LYS A 111 13.590 -10.260 8.611 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.514 -11.381 8.287 1.00 0.00 N ATOM 0 H LYS A 111 13.955 -6.647 6.019 1.00 0.00 H new ATOM 0 HA LYS A 111 14.921 -5.708 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.693 -7.809 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.897 -7.390 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.834 -9.012 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.793 -7.678 9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.078 -8.329 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.163 -9.253 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.630 -10.054 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.566 -10.555 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.232 -12.228 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.470 -11.583 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.486 -11.116 8.546 1.00 0.00 H new ATOM 1764 N SER A 112 16.876 -4.927 5.885 1.00 0.00 N ATOM 1765 CA SER A 112 17.970 -4.056 5.472 1.00 0.00 C ATOM 1766 C SER A 112 17.681 -2.605 5.847 1.00 0.00 C ATOM 1767 O SER A 112 18.594 -1.838 6.151 1.00 0.00 O ATOM 1768 CB SER A 112 18.199 -4.169 3.964 1.00 0.00 C ATOM 1769 OG SER A 112 18.560 -5.490 3.600 1.00 0.00 O ATOM 0 H SER A 112 16.460 -5.469 5.128 1.00 0.00 H new ATOM 0 HA SER A 112 18.872 -4.375 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.293 -3.877 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.984 -3.477 3.660 1.00 0.00 H new ATOM 0 HG SER A 112 18.699 -5.536 2.631 1.00 0.00 H new ATOM 1775 N ILE A 113 16.404 -2.238 5.822 1.00 0.00 N ATOM 1776 CA ILE A 113 15.994 -0.881 6.160 1.00 0.00 C ATOM 1777 C ILE A 113 15.834 -0.714 7.667 1.00 0.00 C ATOM 1778 O ILE A 113 15.221 -1.548 8.332 1.00 0.00 O ATOM 1779 CB ILE A 113 14.669 -0.505 5.470 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.787 -0.687 3.955 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.283 0.927 5.808 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.453 -0.826 3.257 1.00 0.00 C ATOM 0 H ILE A 113 15.636 -2.861 5.571 1.00 0.00 H new ATOM 0 HA ILE A 113 16.781 -0.216 5.805 1.00 0.00 H new ATOM 0 HB ILE A 113 13.885 -1.168 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.320 0.166 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.389 -1.572 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.345 1.177 5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.162 1.026 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.065 1.605 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.614 -0.952 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.926 -1.696 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.856 0.069 3.432 1.00 0.00 H new