USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 682 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 22 THR OG1 : rot 180:sc= -0.202 USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0.0159 USER MOD Set 2.1: A 21 THR OG1 : rot 126:sc= 1.2 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 9 SER OG : rot -37:sc= 0.489 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD Single : A 18 THR OG1 : rot -23:sc= 0.0997 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 43 SER OG : rot -1:sc= 0.414 USER MOD Single : A 44 TYR OH : rot 90:sc= -0.311 USER MOD Single : A 45 THR OG1 : rot 66:sc= 0.863 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.241 F(o=-0.89,f=-0.24) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.613 F(o=-5.3!,f=-0.61) USER MOD Single : A 58 GLN : amide:sc= -0.255 K(o=-0.25,f=-4.7!) USER MOD Single : A 59 ASN : amide:sc= -3.71! C(o=-3.7!,f=-4.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 7:sc= -0.86 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 1.03 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.988 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -170:sc= -0.903 USER MOD Single : A 93 SER OG : rot 75:sc= -0.658 USER MOD Single : A 95 SER OG : rot -173:sc= 1.25 USER MOD Single : A 97 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.043) USER MOD Single : A 98 SER OG : rot 120:sc= -0.161 USER MOD Single : A 100 THR OG1 : rot -136:sc= -0.145 USER MOD Single : A 101 MET CE :methyl 133:sc= -1.3 (180deg=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.110 -14.478 -4.349 1.00 0.00 N ATOM 67 CA PRO A 8 -4.440 -13.934 -4.636 1.00 0.00 C ATOM 68 C PRO A 8 -4.520 -13.299 -6.020 1.00 0.00 C ATOM 69 O PRO A 8 -3.498 -13.040 -6.655 1.00 0.00 O ATOM 70 CB PRO A 8 -4.631 -12.873 -3.549 1.00 0.00 C ATOM 71 CG PRO A 8 -3.249 -12.468 -3.168 1.00 0.00 C ATOM 72 CD PRO A 8 -2.400 -13.700 -3.320 1.00 0.00 C ATOM 0 HA PRO A 8 -5.207 -14.709 -4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.204 -12.024 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.175 -13.275 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.888 -11.663 -3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.219 -12.098 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.385 -13.453 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.320 -14.251 -2.383 1.00 0.00 H new ATOM 80 N SER A 9 -5.742 -13.051 -6.482 1.00 0.00 N ATOM 81 CA SER A 9 -5.955 -12.449 -7.793 1.00 0.00 C ATOM 82 C SER A 9 -6.721 -11.135 -7.670 1.00 0.00 C ATOM 83 O SER A 9 -7.020 -10.482 -8.668 1.00 0.00 O ATOM 84 CB SER A 9 -6.719 -13.414 -8.702 1.00 0.00 C ATOM 85 OG SER A 9 -6.789 -12.918 -10.028 1.00 0.00 O ATOM 0 H SER A 9 -6.599 -13.258 -5.968 1.00 0.00 H new ATOM 0 HA SER A 9 -4.980 -12.241 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.227 -14.387 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.726 -13.565 -8.313 1.00 0.00 H new ATOM 0 HG SER A 9 -6.906 -11.945 -10.008 1.00 0.00 H new ATOM 91 N GLY A 10 -7.035 -10.754 -6.435 1.00 0.00 N ATOM 92 CA GLY A 10 -7.763 -9.520 -6.202 1.00 0.00 C ATOM 93 C GLY A 10 -7.048 -8.600 -5.233 1.00 0.00 C ATOM 94 O GLY A 10 -6.209 -9.043 -4.449 1.00 0.00 O ATOM 0 H GLY A 10 -6.798 -11.278 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.908 -9.002 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.754 -9.754 -5.812 1.00 0.00 H new ATOM 98 N PHE A 11 -7.379 -7.314 -5.288 1.00 0.00 N ATOM 99 CA PHE A 11 -6.761 -6.327 -4.410 1.00 0.00 C ATOM 100 C PHE A 11 -7.787 -5.737 -3.447 1.00 0.00 C ATOM 101 O PHE A 11 -8.992 -5.749 -3.700 1.00 0.00 O ATOM 102 CB PHE A 11 -6.118 -5.210 -5.235 1.00 0.00 C ATOM 103 CG PHE A 11 -6.967 -4.752 -6.386 1.00 0.00 C ATOM 104 CD1 PHE A 11 -6.929 -5.418 -7.601 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.803 -3.655 -6.254 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.709 -4.997 -8.662 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.585 -3.230 -7.312 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.538 -3.902 -8.517 1.00 0.00 C ATOM 0 H PHE A 11 -8.072 -6.931 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.989 -6.829 -3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.913 -4.360 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.158 -5.558 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.283 -6.275 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.844 -3.126 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.670 -5.524 -9.604 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.232 -2.373 -7.196 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.148 -3.572 -9.345 1.00 0.00 H new ATOM 118 N PRO A 12 -7.299 -5.209 -2.315 1.00 0.00 N ATOM 119 CA PRO A 12 -8.156 -4.604 -1.290 1.00 0.00 C ATOM 120 C PRO A 12 -8.774 -3.289 -1.753 1.00 0.00 C ATOM 121 O PRO A 12 -8.343 -2.708 -2.748 1.00 0.00 O ATOM 122 CB PRO A 12 -7.196 -4.362 -0.123 1.00 0.00 C ATOM 123 CG PRO A 12 -5.852 -4.244 -0.755 1.00 0.00 C ATOM 124 CD PRO A 12 -5.874 -5.160 -1.948 1.00 0.00 C ATOM 0 HA PRO A 12 -9.003 -5.242 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.457 -3.456 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.226 -5.185 0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.651 -3.216 -1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.066 -4.531 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.262 -4.773 -2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.488 -6.149 -1.702 1.00 0.00 H new ATOM 132 N GLN A 13 -9.785 -2.827 -1.024 1.00 0.00 N ATOM 133 CA GLN A 13 -10.461 -1.580 -1.362 1.00 0.00 C ATOM 134 C GLN A 13 -10.387 -0.590 -0.204 1.00 0.00 C ATOM 135 O GLN A 13 -9.824 -0.891 0.847 1.00 0.00 O ATOM 136 CB GLN A 13 -11.923 -1.851 -1.725 1.00 0.00 C ATOM 137 CG GLN A 13 -12.143 -3.195 -2.399 1.00 0.00 C ATOM 138 CD GLN A 13 -11.694 -3.203 -3.847 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.178 -2.207 -4.354 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.887 -4.331 -4.520 1.00 0.00 N ATOM 0 H GLN A 13 -10.153 -3.297 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.955 -1.142 -2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.528 -1.805 -0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.277 -1.060 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.601 -3.965 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.201 -3.453 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.319 -5.132 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.604 -4.396 -5.498 1.00 0.00 H new ATOM 149 N ASN A 14 -10.960 0.592 -0.406 1.00 0.00 N ATOM 150 CA ASN A 14 -10.958 1.628 0.621 1.00 0.00 C ATOM 151 C ASN A 14 -9.536 2.090 0.924 1.00 0.00 C ATOM 152 O ASN A 14 -9.241 2.543 2.031 1.00 0.00 O ATOM 153 CB ASN A 14 -11.621 1.109 1.898 1.00 0.00 C ATOM 154 CG ASN A 14 -13.112 1.383 1.928 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.614 2.054 2.830 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.828 0.863 0.938 1.00 0.00 N ATOM 0 H ASN A 14 -11.431 0.856 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.525 2.480 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.450 0.036 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.151 1.576 2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.836 1.013 0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.370 0.313 0.211 1.00 0.00 H new ATOM 163 N LEU A 15 -8.658 1.975 -0.067 1.00 0.00 N ATOM 164 CA LEU A 15 -7.266 2.382 0.093 1.00 0.00 C ATOM 165 C LEU A 15 -7.131 3.899 0.021 1.00 0.00 C ATOM 166 O LEU A 15 -7.444 4.513 -1.000 1.00 0.00 O ATOM 167 CB LEU A 15 -6.397 1.729 -0.983 1.00 0.00 C ATOM 168 CG LEU A 15 -4.887 1.921 -0.834 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.379 1.209 0.411 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.161 1.417 -2.073 1.00 0.00 C ATOM 0 H LEU A 15 -8.885 1.603 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.927 2.052 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.608 0.660 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.699 2.122 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.684 2.986 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.303 1.356 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.876 1.617 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.594 0.143 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.088 1.561 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.371 0.356 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.504 1.972 -2.946 1.00 0.00 H new ATOM 182 N HIS A 16 -6.661 4.499 1.110 1.00 0.00 N ATOM 183 CA HIS A 16 -6.481 5.945 1.169 1.00 0.00 C ATOM 184 C HIS A 16 -5.734 6.348 2.437 1.00 0.00 C ATOM 185 O HIS A 16 -5.305 5.496 3.215 1.00 0.00 O ATOM 186 CB HIS A 16 -7.836 6.651 1.116 1.00 0.00 C ATOM 187 CG HIS A 16 -8.863 6.046 2.022 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.878 5.229 1.571 1.00 0.00 N ATOM 189 CD2 HIS A 16 -9.027 6.142 3.363 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.623 4.850 2.594 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.128 5.390 3.693 1.00 0.00 N ATOM 0 H HIS A 16 -6.398 4.006 1.963 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.887 6.248 0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.701 7.699 1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.208 6.628 0.092 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.408 6.705 4.046 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.490 4.208 2.541 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.502 5.268 4.634 1.00 0.00 H new ATOM 200 N VAL A 17 -5.580 7.653 2.638 1.00 0.00 N ATOM 201 CA VAL A 17 -4.885 8.170 3.811 1.00 0.00 C ATOM 202 C VAL A 17 -5.865 8.780 4.806 1.00 0.00 C ATOM 203 O VAL A 17 -6.694 9.617 4.446 1.00 0.00 O ATOM 204 CB VAL A 17 -3.839 9.231 3.421 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.178 9.811 4.663 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.799 8.634 2.484 1.00 0.00 C ATOM 0 H VAL A 17 -5.927 8.372 2.003 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.378 7.325 4.277 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.346 10.041 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.442 10.559 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.935 10.276 5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.683 9.014 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.068 9.397 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.295 7.805 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.289 8.271 1.580 1.00 0.00 H new ATOM 216 N THR A 18 -5.766 8.356 6.062 1.00 0.00 N ATOM 217 CA THR A 18 -6.644 8.860 7.111 1.00 0.00 C ATOM 218 C THR A 18 -6.049 10.094 7.780 1.00 0.00 C ATOM 219 O THR A 18 -6.749 10.840 8.462 1.00 0.00 O ATOM 220 CB THR A 18 -6.911 7.787 8.183 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.906 8.251 9.103 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.635 7.446 8.938 1.00 0.00 C ATOM 0 H THR A 18 -5.086 7.664 6.378 1.00 0.00 H new ATOM 0 HA THR A 18 -7.586 9.128 6.633 1.00 0.00 H new ATOM 0 HB THR A 18 -7.270 6.887 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.932 9.231 9.091 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.849 6.686 9.690 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.890 7.066 8.240 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.251 8.342 9.427 1.00 0.00 H new ATOM 230 N GLY A 19 -4.751 10.303 7.579 1.00 0.00 N ATOM 231 CA GLY A 19 -4.085 11.449 8.169 1.00 0.00 C ATOM 232 C GLY A 19 -2.629 11.549 7.757 1.00 0.00 C ATOM 233 O GLY A 19 -1.733 11.193 8.525 1.00 0.00 O ATOM 0 H GLY A 19 -4.150 9.699 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.606 12.360 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.148 11.383 9.255 1.00 0.00 H new ATOM 237 N LEU A 20 -2.391 12.031 6.543 1.00 0.00 N ATOM 238 CA LEU A 20 -1.034 12.175 6.029 1.00 0.00 C ATOM 239 C LEU A 20 -0.237 13.172 6.866 1.00 0.00 C ATOM 240 O LEU A 20 -0.789 13.858 7.727 1.00 0.00 O ATOM 241 CB LEU A 20 -1.065 12.629 4.568 1.00 0.00 C ATOM 242 CG LEU A 20 -1.050 14.140 4.334 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.367 14.458 2.881 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.037 14.833 5.261 1.00 0.00 C ATOM 0 H LEU A 20 -3.121 12.329 5.896 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.544 11.203 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.208 12.194 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.959 12.218 4.100 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.050 14.513 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.352 15.538 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.622 13.993 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.355 14.071 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.013 15.908 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.042 14.456 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.765 14.633 6.297 1.00 0.00 H new ATOM 256 N THR A 21 1.064 13.249 6.605 1.00 0.00 N ATOM 257 CA THR A 21 1.936 14.162 7.333 1.00 0.00 C ATOM 258 C THR A 21 3.002 14.752 6.416 1.00 0.00 C ATOM 259 O THR A 21 3.308 14.194 5.362 1.00 0.00 O ATOM 260 CB THR A 21 2.626 13.457 8.516 1.00 0.00 C ATOM 261 OG1 THR A 21 1.781 12.421 9.030 1.00 0.00 O ATOM 262 CG2 THR A 21 2.952 14.449 9.622 1.00 0.00 C ATOM 0 H THR A 21 1.537 12.690 5.895 1.00 0.00 H new ATOM 0 HA THR A 21 1.305 14.964 7.716 1.00 0.00 H new ATOM 0 HB THR A 21 3.557 13.020 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.275 11.575 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.439 13.928 10.446 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.619 15.219 9.235 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.032 14.912 9.978 1.00 0.00 H new ATOM 270 N THR A 22 3.565 15.885 6.824 1.00 0.00 N ATOM 271 CA THR A 22 4.596 16.551 6.039 1.00 0.00 C ATOM 272 C THR A 22 5.703 15.579 5.647 1.00 0.00 C ATOM 273 O THR A 22 6.105 15.516 4.485 1.00 0.00 O ATOM 274 CB THR A 22 5.215 17.732 6.811 1.00 0.00 C ATOM 275 OG1 THR A 22 5.906 17.252 7.970 1.00 0.00 O ATOM 276 CG2 THR A 22 4.142 18.726 7.230 1.00 0.00 C ATOM 0 H THR A 22 3.324 16.360 7.694 1.00 0.00 H new ATOM 0 HA THR A 22 4.112 16.929 5.138 1.00 0.00 H new ATOM 0 HB THR A 22 5.920 18.238 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.298 18.009 8.454 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.603 19.551 7.773 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.637 19.112 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.416 18.228 7.873 1.00 0.00 H new ATOM 284 N SER A 23 6.193 14.823 6.624 1.00 0.00 N ATOM 285 CA SER A 23 7.257 13.855 6.381 1.00 0.00 C ATOM 286 C SER A 23 6.692 12.441 6.283 1.00 0.00 C ATOM 287 O SER A 23 7.134 11.639 5.458 1.00 0.00 O ATOM 288 CB SER A 23 8.301 13.923 7.497 1.00 0.00 C ATOM 289 OG SER A 23 7.711 14.314 8.725 1.00 0.00 O ATOM 0 H SER A 23 5.871 14.862 7.591 1.00 0.00 H new ATOM 0 HA SER A 23 7.733 14.104 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.778 12.950 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.084 14.631 7.224 1.00 0.00 H new ATOM 0 HG SER A 23 8.399 14.348 9.422 1.00 0.00 H new ATOM 295 N THR A 24 5.713 12.141 7.130 1.00 0.00 N ATOM 296 CA THR A 24 5.088 10.824 7.141 1.00 0.00 C ATOM 297 C THR A 24 3.707 10.865 6.496 1.00 0.00 C ATOM 298 O THR A 24 3.153 11.939 6.259 1.00 0.00 O ATOM 299 CB THR A 24 4.957 10.276 8.574 1.00 0.00 C ATOM 300 OG1 THR A 24 3.948 11.002 9.285 1.00 0.00 O ATOM 301 CG2 THR A 24 6.280 10.379 9.317 1.00 0.00 C ATOM 0 H THR A 24 5.335 12.793 7.818 1.00 0.00 H new ATOM 0 HA THR A 24 5.735 10.163 6.565 1.00 0.00 H new ATOM 0 HB THR A 24 4.674 9.225 8.513 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.869 10.647 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.162 9.986 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.039 9.802 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.588 11.423 9.368 1.00 0.00 H new ATOM 309 N THR A 25 3.156 9.689 6.214 1.00 0.00 N ATOM 310 CA THR A 25 1.839 9.591 5.595 1.00 0.00 C ATOM 311 C THR A 25 1.080 8.373 6.109 1.00 0.00 C ATOM 312 O THR A 25 1.503 7.236 5.904 1.00 0.00 O ATOM 313 CB THR A 25 1.944 9.507 4.061 1.00 0.00 C ATOM 314 OG1 THR A 25 2.136 10.816 3.511 1.00 0.00 O ATOM 315 CG2 THR A 25 0.692 8.880 3.467 1.00 0.00 C ATOM 0 H THR A 25 3.601 8.791 6.404 1.00 0.00 H new ATOM 0 HA THR A 25 1.294 10.496 5.865 1.00 0.00 H new ATOM 0 HB THR A 25 2.799 8.879 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.204 10.754 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.789 8.831 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.565 7.874 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.176 9.485 3.727 1.00 0.00 H new ATOM 323 N GLU A 26 -0.043 8.620 6.776 1.00 0.00 N ATOM 324 CA GLU A 26 -0.860 7.541 7.319 1.00 0.00 C ATOM 325 C GLU A 26 -1.655 6.852 6.213 1.00 0.00 C ATOM 326 O GLU A 26 -1.776 7.372 5.103 1.00 0.00 O ATOM 327 CB GLU A 26 -1.814 8.081 8.387 1.00 0.00 C ATOM 328 CG GLU A 26 -1.114 8.522 9.661 1.00 0.00 C ATOM 329 CD GLU A 26 -2.079 8.749 10.808 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.198 8.198 10.761 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.713 9.478 11.754 1.00 0.00 O ATOM 0 H GLU A 26 -0.407 9.556 6.953 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.193 6.809 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.367 8.925 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.545 7.311 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.383 7.766 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.562 9.442 9.468 1.00 0.00 H new ATOM 338 N LEU A 27 -2.195 5.679 6.525 1.00 0.00 N ATOM 339 CA LEU A 27 -2.979 4.917 5.558 1.00 0.00 C ATOM 340 C LEU A 27 -4.079 4.122 6.255 1.00 0.00 C ATOM 341 O LEU A 27 -4.025 3.896 7.463 1.00 0.00 O ATOM 342 CB LEU A 27 -2.072 3.971 4.770 1.00 0.00 C ATOM 343 CG LEU A 27 -0.857 4.611 4.097 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.056 3.543 3.516 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.299 5.584 3.013 1.00 0.00 C ATOM 0 H LEU A 27 -2.105 5.235 7.439 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.446 5.621 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.719 3.191 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.671 3.481 4.003 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.299 5.166 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.915 4.017 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.400 2.885 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.491 2.960 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.422 6.030 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.880 5.051 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.912 6.369 3.456 1.00 0.00 H new ATOM 357 N ALA A 28 -5.075 3.699 5.484 1.00 0.00 N ATOM 358 CA ALA A 28 -6.185 2.926 6.026 1.00 0.00 C ATOM 359 C ALA A 28 -7.016 2.301 4.910 1.00 0.00 C ATOM 360 O ALA A 28 -7.784 2.987 4.236 1.00 0.00 O ATOM 361 CB ALA A 28 -7.060 3.805 6.908 1.00 0.00 C ATOM 0 H ALA A 28 -5.136 3.879 4.482 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.771 2.119 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.885 3.214 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.466 4.200 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.457 4.632 6.318 1.00 0.00 H new ATOM 367 N TRP A 29 -6.855 0.996 4.720 1.00 0.00 N ATOM 368 CA TRP A 29 -7.590 0.279 3.684 1.00 0.00 C ATOM 369 C TRP A 29 -8.370 -0.888 4.279 1.00 0.00 C ATOM 370 O TRP A 29 -8.348 -1.109 5.490 1.00 0.00 O ATOM 371 CB TRP A 29 -6.630 -0.229 2.607 1.00 0.00 C ATOM 372 CG TRP A 29 -5.612 -1.197 3.128 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.716 -2.559 3.159 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.336 -0.878 3.695 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.582 -3.105 3.711 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.720 -2.094 4.047 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.654 0.318 3.938 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.456 -2.147 4.629 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.400 0.263 4.516 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.811 -0.962 4.855 1.00 0.00 C ATOM 0 H TRP A 29 -6.223 0.413 5.269 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.299 0.972 3.231 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.205 -0.709 1.815 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.116 0.621 2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.565 -3.124 2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.410 -4.101 3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.099 1.267 3.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.001 -3.090 4.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.865 1.181 4.710 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.829 -0.971 5.304 1.00 0.00 H new ATOM 391 N ASP A 30 -9.058 -1.633 3.420 1.00 0.00 N ATOM 392 CA ASP A 30 -9.844 -2.780 3.862 1.00 0.00 C ATOM 393 C ASP A 30 -9.434 -4.042 3.109 1.00 0.00 C ATOM 394 O ASP A 30 -8.802 -3.987 2.054 1.00 0.00 O ATOM 395 CB ASP A 30 -11.335 -2.511 3.659 1.00 0.00 C ATOM 396 CG ASP A 30 -11.983 -1.886 4.879 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.294 -1.129 5.594 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.178 -2.154 5.119 1.00 0.00 O ATOM 0 H ASP A 30 -9.087 -1.464 2.415 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.652 -2.934 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.469 -1.851 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.841 -3.447 3.422 1.00 0.00 H new ATOM 403 N PRO A 31 -9.801 -5.207 3.662 1.00 0.00 N ATOM 404 CA PRO A 31 -9.483 -6.505 3.060 1.00 0.00 C ATOM 405 C PRO A 31 -10.265 -6.756 1.775 1.00 0.00 C ATOM 406 O PRO A 31 -11.377 -6.259 1.590 1.00 0.00 O ATOM 407 CB PRO A 31 -9.893 -7.508 4.141 1.00 0.00 C ATOM 408 CG PRO A 31 -10.936 -6.802 4.936 1.00 0.00 C ATOM 409 CD PRO A 31 -10.557 -5.347 4.918 1.00 0.00 C ATOM 0 HA PRO A 31 -8.434 -6.574 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.284 -8.426 3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.043 -7.789 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.925 -6.953 4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.973 -7.183 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.436 -4.703 4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.951 -5.079 5.784 1.00 0.00 H new ATOM 417 N PRO A 32 -9.674 -7.545 0.866 1.00 0.00 N ATOM 418 CA PRO A 32 -10.299 -7.880 -0.417 1.00 0.00 C ATOM 419 C PRO A 32 -11.501 -8.804 -0.252 1.00 0.00 C ATOM 420 O PRO A 32 -11.478 -9.730 0.559 1.00 0.00 O ATOM 421 CB PRO A 32 -9.180 -8.590 -1.182 1.00 0.00 C ATOM 422 CG PRO A 32 -8.290 -9.145 -0.124 1.00 0.00 C ATOM 423 CD PRO A 32 -8.350 -8.170 1.020 1.00 0.00 C ATOM 0 HA PRO A 32 -10.687 -6.997 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.576 -9.380 -1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.642 -7.897 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.625 -10.134 0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.269 -9.255 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.252 -8.673 1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.549 -7.433 0.963 1.00 0.00 H new ATOM 560 N ILE A 41 -5.887 -14.190 3.904 1.00 0.00 N ATOM 561 CA ILE A 41 -4.835 -13.181 3.913 1.00 0.00 C ATOM 562 C ILE A 41 -3.961 -13.309 5.156 1.00 0.00 C ATOM 563 O ILE A 41 -4.445 -13.654 6.234 1.00 0.00 O ATOM 564 CB ILE A 41 -5.420 -11.757 3.855 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.534 -11.682 2.809 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.325 -10.748 3.544 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.089 -12.089 1.422 1.00 0.00 C ATOM 0 HA ILE A 41 -4.227 -13.352 3.025 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.845 -11.514 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.358 -12.324 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.920 -10.663 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.753 -9.746 3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.562 -10.787 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.874 -10.986 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.930 -12.011 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.286 -11.431 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.730 -13.118 1.442 1.00 0.00 H new ATOM 579 N ILE A 42 -2.672 -13.028 4.998 1.00 0.00 N ATOM 580 CA ILE A 42 -1.731 -13.109 6.108 1.00 0.00 C ATOM 581 C ILE A 42 -1.091 -11.754 6.386 1.00 0.00 C ATOM 582 O ILE A 42 -0.802 -11.416 7.534 1.00 0.00 O ATOM 583 CB ILE A 42 -0.622 -14.141 5.831 1.00 0.00 C ATOM 584 CG1 ILE A 42 -0.036 -13.931 4.434 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.165 -15.555 5.977 1.00 0.00 C ATOM 586 CD1 ILE A 42 0.959 -14.996 4.029 1.00 0.00 C ATOM 0 H ILE A 42 -2.255 -12.742 4.112 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.300 -13.425 6.982 1.00 0.00 H new ATOM 0 HB ILE A 42 0.174 -14.001 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.848 -13.909 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.451 -12.957 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.369 -16.273 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.538 -15.699 6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.977 -15.708 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.333 -14.783 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.791 -15.003 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.471 -15.971 4.034 1.00 0.00 H new ATOM 598 N SER A 43 -0.874 -10.980 5.328 1.00 0.00 N ATOM 599 CA SER A 43 -0.266 -9.660 5.457 1.00 0.00 C ATOM 600 C SER A 43 -0.363 -8.887 4.146 1.00 0.00 C ATOM 601 O SER A 43 -0.884 -9.391 3.151 1.00 0.00 O ATOM 602 CB SER A 43 1.199 -9.790 5.880 1.00 0.00 C ATOM 603 OG SER A 43 1.305 -10.186 7.236 1.00 0.00 O ATOM 0 H SER A 43 -1.110 -11.244 4.371 1.00 0.00 H new ATOM 0 HA SER A 43 -0.810 -9.109 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.701 -10.520 5.245 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.708 -8.837 5.735 1.00 0.00 H new ATOM 0 HG SER A 43 0.408 -10.281 7.620 1.00 0.00 H new ATOM 609 N TYR A 44 0.144 -7.659 4.153 1.00 0.00 N ATOM 610 CA TYR A 44 0.113 -6.813 2.966 1.00 0.00 C ATOM 611 C TYR A 44 1.454 -6.116 2.758 1.00 0.00 C ATOM 612 O TYR A 44 2.334 -6.166 3.619 1.00 0.00 O ATOM 613 CB TYR A 44 -1.002 -5.772 3.084 1.00 0.00 C ATOM 614 CG TYR A 44 -2.382 -6.375 3.213 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.733 -7.125 4.328 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.336 -6.194 2.219 1.00 0.00 C ATOM 617 CE1 TYR A 44 -3.993 -7.679 4.450 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.599 -6.743 2.332 1.00 0.00 C ATOM 619 CZ TYR A 44 -4.922 -7.485 3.449 1.00 0.00 C ATOM 620 OH TYR A 44 -6.179 -8.033 3.567 1.00 0.00 O ATOM 0 H TYR A 44 0.581 -7.228 4.967 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.083 -7.450 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.808 -5.141 3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.978 -5.125 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.008 -7.278 5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.086 -5.614 1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.249 -8.260 5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.329 -6.592 1.550 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.772 -7.397 4.018 1.00 0.00 H new ATOM 630 N THR A 45 1.604 -5.465 1.608 1.00 0.00 N ATOM 631 CA THR A 45 2.837 -4.759 1.286 1.00 0.00 C ATOM 632 C THR A 45 2.547 -3.357 0.761 1.00 0.00 C ATOM 633 O THR A 45 2.182 -3.182 -0.402 1.00 0.00 O ATOM 634 CB THR A 45 3.666 -5.525 0.237 1.00 0.00 C ATOM 635 OG1 THR A 45 3.934 -6.853 0.700 1.00 0.00 O ATOM 636 CG2 THR A 45 4.977 -4.807 -0.046 1.00 0.00 C ATOM 0 H THR A 45 0.887 -5.413 0.885 1.00 0.00 H new ATOM 0 HA THR A 45 3.410 -4.687 2.210 1.00 0.00 H new ATOM 0 HB THR A 45 3.089 -5.572 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.094 -7.353 0.764 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.545 -5.366 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.769 -3.806 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.557 -4.733 0.874 1.00 0.00 H new ATOM 644 N VAL A 46 2.711 -2.361 1.626 1.00 0.00 N ATOM 645 CA VAL A 46 2.467 -0.974 1.249 1.00 0.00 C ATOM 646 C VAL A 46 3.643 -0.403 0.464 1.00 0.00 C ATOM 647 O VAL A 46 4.644 0.018 1.044 1.00 0.00 O ATOM 648 CB VAL A 46 2.213 -0.092 2.486 1.00 0.00 C ATOM 649 CG1 VAL A 46 1.945 1.347 2.071 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.057 -0.644 3.305 1.00 0.00 C ATOM 0 H VAL A 46 3.012 -2.489 2.592 1.00 0.00 H new ATOM 0 HA VAL A 46 1.577 -0.969 0.620 1.00 0.00 H new ATOM 0 HB VAL A 46 3.107 -0.104 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.768 1.955 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.808 1.737 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.067 1.382 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.891 -0.009 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.155 -0.664 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.295 -1.655 3.634 1.00 0.00 H new ATOM 660 N VAL A 47 3.515 -0.392 -0.859 1.00 0.00 N ATOM 661 CA VAL A 47 4.567 0.129 -1.724 1.00 0.00 C ATOM 662 C VAL A 47 4.351 1.609 -2.022 1.00 0.00 C ATOM 663 O VAL A 47 3.361 1.990 -2.646 1.00 0.00 O ATOM 664 CB VAL A 47 4.635 -0.646 -3.054 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.723 -0.074 -3.950 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.869 -2.127 -2.795 1.00 0.00 C ATOM 0 H VAL A 47 2.694 -0.738 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 47 5.508 0.002 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 47 3.680 -0.537 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.756 -0.634 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.507 0.973 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.687 -0.151 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.914 -2.660 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.809 -2.259 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.051 -2.525 -2.195 1.00 0.00 H new ATOM 676 N PHE A 48 5.286 2.439 -1.571 1.00 0.00 N ATOM 677 CA PHE A 48 5.199 3.879 -1.789 1.00 0.00 C ATOM 678 C PHE A 48 6.419 4.389 -2.549 1.00 0.00 C ATOM 679 O PHE A 48 7.543 3.948 -2.308 1.00 0.00 O ATOM 680 CB PHE A 48 5.074 4.611 -0.451 1.00 0.00 C ATOM 681 CG PHE A 48 6.204 4.325 0.496 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.290 3.103 1.143 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.180 5.278 0.740 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.329 2.837 2.016 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.221 5.018 1.611 1.00 0.00 C ATOM 686 CZ PHE A 48 8.296 3.795 2.249 1.00 0.00 C ATOM 0 H PHE A 48 6.112 2.140 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 48 4.311 4.078 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.028 5.684 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.134 4.329 0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.537 2.350 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.126 6.236 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.384 1.881 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.975 5.770 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.109 3.588 2.929 1.00 0.00 H new ATOM 696 N ARG A 49 6.189 5.320 -3.469 1.00 0.00 N ATOM 697 CA ARG A 49 7.268 5.889 -4.267 1.00 0.00 C ATOM 698 C ARG A 49 6.902 7.287 -4.759 1.00 0.00 C ATOM 699 O ARG A 49 5.726 7.609 -4.925 1.00 0.00 O ATOM 700 CB ARG A 49 7.582 4.984 -5.459 1.00 0.00 C ATOM 701 CG ARG A 49 8.373 5.675 -6.558 1.00 0.00 C ATOM 702 CD ARG A 49 8.522 4.785 -7.782 1.00 0.00 C ATOM 703 NE ARG A 49 7.228 4.425 -8.357 1.00 0.00 N ATOM 704 CZ ARG A 49 7.047 3.385 -9.164 1.00 0.00 C ATOM 705 NH1 ARG A 49 8.070 2.607 -9.488 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.839 3.122 -9.647 1.00 0.00 N ATOM 0 H ARG A 49 5.265 5.696 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 49 8.152 5.965 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.144 4.118 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.647 4.610 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.873 6.602 -6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.359 5.946 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.122 5.299 -8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.062 3.879 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 49 6.420 5.003 -8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.999 2.806 -9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.928 1.809 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.050 3.718 -9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.700 2.324 -10.266 1.00 0.00 H new ATOM 720 N ASP A 50 7.917 8.112 -4.989 1.00 0.00 N ATOM 721 CA ASP A 50 7.703 9.475 -5.462 1.00 0.00 C ATOM 722 C ASP A 50 7.587 9.510 -6.982 1.00 0.00 C ATOM 723 O ASP A 50 8.567 9.291 -7.695 1.00 0.00 O ATOM 724 CB ASP A 50 8.846 10.382 -5.004 1.00 0.00 C ATOM 725 CG ASP A 50 10.133 9.617 -4.766 1.00 0.00 C ATOM 726 OD1 ASP A 50 10.495 8.784 -5.623 1.00 0.00 O ATOM 727 OD2 ASP A 50 10.778 9.850 -3.722 1.00 0.00 O ATOM 0 H ASP A 50 8.897 7.861 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 50 6.768 9.839 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.018 11.152 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.555 10.892 -4.086 1.00 0.00 H new ATOM 732 N ILE A 51 6.383 9.786 -7.472 1.00 0.00 N ATOM 733 CA ILE A 51 6.139 9.849 -8.908 1.00 0.00 C ATOM 734 C ILE A 51 7.034 10.891 -9.572 1.00 0.00 C ATOM 735 O ILE A 51 7.332 10.800 -10.762 1.00 0.00 O ATOM 736 CB ILE A 51 4.668 10.183 -9.215 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.298 11.547 -8.629 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.753 9.098 -8.666 1.00 0.00 C ATOM 739 CD1 ILE A 51 3.035 12.136 -9.217 1.00 0.00 C ATOM 0 H ILE A 51 5.561 9.970 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 51 6.371 8.863 -9.311 1.00 0.00 H new ATOM 0 HB ILE A 51 4.539 10.227 -10.296 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.175 11.449 -7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.123 12.240 -8.794 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.716 9.348 -8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.004 8.143 -9.127 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.883 9.025 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.835 13.103 -8.755 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.161 12.267 -10.292 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.198 11.463 -9.029 1.00 0.00 H new ATOM 751 N ASN A 52 7.461 11.879 -8.792 1.00 0.00 N ATOM 752 CA ASN A 52 8.323 12.938 -9.304 1.00 0.00 C ATOM 753 C ASN A 52 9.794 12.552 -9.176 1.00 0.00 C ATOM 754 O ASN A 52 10.680 13.287 -9.612 1.00 0.00 O ATOM 755 CB ASN A 52 8.061 14.246 -8.554 1.00 0.00 C ATOM 756 CG ASN A 52 6.644 14.749 -8.749 1.00 0.00 C ATOM 757 OD1 ASN A 52 5.749 14.361 -7.848 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.357 15.479 -9.698 1.00 0.00 N flip ATOM 0 H ASN A 52 7.224 11.968 -7.804 1.00 0.00 H new ATOM 0 HA ASN A 52 8.093 13.080 -10.360 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.247 14.096 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.764 15.005 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.077 15.753 -10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.399 15.810 -9.815 1.00 0.00 H new ATOM 765 N SER A 53 10.045 11.393 -8.576 1.00 0.00 N ATOM 766 CA SER A 53 11.408 10.909 -8.387 1.00 0.00 C ATOM 767 C SER A 53 11.506 9.421 -8.709 1.00 0.00 C ATOM 768 O SER A 53 10.511 8.784 -9.053 1.00 0.00 O ATOM 769 CB SER A 53 11.867 11.163 -6.950 1.00 0.00 C ATOM 770 OG SER A 53 12.520 12.416 -6.837 1.00 0.00 O ATOM 0 H SER A 53 9.323 10.771 -8.212 1.00 0.00 H new ATOM 0 HA SER A 53 12.059 11.454 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.008 11.136 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.542 10.368 -6.635 1.00 0.00 H new ATOM 0 HG SER A 53 12.802 12.555 -5.909 1.00 0.00 H new ATOM 776 N GLN A 54 12.712 8.876 -8.594 1.00 0.00 N ATOM 777 CA GLN A 54 12.941 7.463 -8.874 1.00 0.00 C ATOM 778 C GLN A 54 13.258 6.699 -7.592 1.00 0.00 C ATOM 779 O GLN A 54 14.005 5.721 -7.611 1.00 0.00 O ATOM 780 CB GLN A 54 14.085 7.298 -9.876 1.00 0.00 C ATOM 781 CG GLN A 54 15.397 7.905 -9.407 1.00 0.00 C ATOM 782 CD GLN A 54 16.465 7.892 -10.483 1.00 0.00 C ATOM 783 OE1 GLN A 54 16.246 8.372 -11.596 1.00 0.00 O ATOM 784 NE2 GLN A 54 17.628 7.341 -10.157 1.00 0.00 N ATOM 0 H GLN A 54 13.545 9.390 -8.309 1.00 0.00 H new ATOM 0 HA GLN A 54 12.028 7.051 -9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.235 6.236 -10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.798 7.759 -10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.223 8.932 -9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.757 7.355 -8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.766 6.955 -9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.384 7.303 -10.841 1.00 0.00 H new ATOM 793 N GLN A 55 12.687 7.153 -6.482 1.00 0.00 N ATOM 794 CA GLN A 55 12.910 6.512 -5.191 1.00 0.00 C ATOM 795 C GLN A 55 11.788 5.531 -4.869 1.00 0.00 C ATOM 796 O GLN A 55 10.710 5.931 -4.430 1.00 0.00 O ATOM 797 CB GLN A 55 13.016 7.565 -4.087 1.00 0.00 C ATOM 798 CG GLN A 55 13.196 6.974 -2.698 1.00 0.00 C ATOM 799 CD GLN A 55 14.400 6.058 -2.604 1.00 0.00 C ATOM 800 OE1 GLN A 55 14.283 4.865 -3.175 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 15.425 6.419 -2.025 1.00 0.00 N flip ATOM 0 H GLN A 55 12.067 7.962 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 55 13.847 5.958 -5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.857 8.224 -4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.117 8.181 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.302 7.782 -1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.299 6.418 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.471 7.345 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.228 5.792 -1.970 1.00 0.00 H new ATOM 810 N GLU A 56 12.050 4.247 -5.090 1.00 0.00 N ATOM 811 CA GLU A 56 11.060 3.210 -4.824 1.00 0.00 C ATOM 812 C GLU A 56 11.224 2.650 -3.414 1.00 0.00 C ATOM 813 O GLU A 56 12.343 2.422 -2.951 1.00 0.00 O ATOM 814 CB GLU A 56 11.182 2.081 -5.850 1.00 0.00 C ATOM 815 CG GLU A 56 10.080 1.041 -5.746 1.00 0.00 C ATOM 816 CD GLU A 56 10.295 -0.133 -6.681 1.00 0.00 C ATOM 817 OE1 GLU A 56 11.463 -0.423 -7.012 1.00 0.00 O ATOM 818 OE2 GLU A 56 9.293 -0.762 -7.082 1.00 0.00 O ATOM 0 H GLU A 56 12.938 3.900 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 56 10.070 3.660 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.172 2.510 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.147 1.590 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.024 0.678 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.122 1.509 -5.971 1.00 0.00 H new ATOM 825 N LEU A 57 10.103 2.431 -2.736 1.00 0.00 N ATOM 826 CA LEU A 57 10.121 1.898 -1.378 1.00 0.00 C ATOM 827 C LEU A 57 8.815 1.178 -1.059 1.00 0.00 C ATOM 828 O LEU A 57 7.809 1.365 -1.743 1.00 0.00 O ATOM 829 CB LEU A 57 10.356 3.024 -0.371 1.00 0.00 C ATOM 830 CG LEU A 57 11.450 4.029 -0.730 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.325 5.283 0.122 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.827 3.402 -0.561 1.00 0.00 C ATOM 0 H LEU A 57 9.170 2.614 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 57 10.937 1.179 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.420 3.568 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.603 2.577 0.592 1.00 0.00 H new ATOM 0 HG LEU A 57 11.327 4.312 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.113 5.986 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.352 5.744 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.421 5.018 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.594 4.132 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.960 3.090 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.915 2.535 -1.216 1.00 0.00 H new ATOM 844 N GLN A 58 8.838 0.357 -0.014 1.00 0.00 N ATOM 845 CA GLN A 58 7.655 -0.390 0.397 1.00 0.00 C ATOM 846 C GLN A 58 7.779 -0.851 1.846 1.00 0.00 C ATOM 847 O GLN A 58 8.868 -0.851 2.416 1.00 0.00 O ATOM 848 CB GLN A 58 7.444 -1.597 -0.519 1.00 0.00 C ATOM 849 CG GLN A 58 8.526 -2.656 -0.388 1.00 0.00 C ATOM 850 CD GLN A 58 8.743 -3.431 -1.673 1.00 0.00 C ATOM 851 OE1 GLN A 58 8.026 -3.238 -2.656 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.735 -4.313 -1.673 1.00 0.00 N ATOM 0 H GLN A 58 9.663 0.192 0.563 1.00 0.00 H new ATOM 0 HA GLN A 58 6.792 0.272 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.477 -2.048 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.405 -1.255 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.461 -2.180 -0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.256 -3.349 0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.304 -4.441 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.928 -4.863 -2.510 1.00 0.00 H new ATOM 861 N ASN A 59 6.654 -1.244 2.434 1.00 0.00 N ATOM 862 CA ASN A 59 6.636 -1.707 3.817 1.00 0.00 C ATOM 863 C ASN A 59 5.725 -2.921 3.973 1.00 0.00 C ATOM 864 O ASN A 59 4.997 -3.286 3.049 1.00 0.00 O ATOM 865 CB ASN A 59 6.171 -0.584 4.747 1.00 0.00 C ATOM 866 CG ASN A 59 7.268 0.425 5.028 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.072 1.630 4.871 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.429 -0.065 5.446 1.00 0.00 N ATOM 0 H ASN A 59 5.743 -1.251 1.975 1.00 0.00 H new ATOM 0 HA ASN A 59 7.650 -1.999 4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.318 -0.074 4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.827 -1.014 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.204 0.565 5.651 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.546 -1.072 5.562 1.00 0.00 H new ATOM 875 N ILE A 60 5.771 -3.542 5.147 1.00 0.00 N ATOM 876 CA ILE A 60 4.949 -4.713 5.423 1.00 0.00 C ATOM 877 C ILE A 60 4.339 -4.640 6.819 1.00 0.00 C ATOM 878 O ILE A 60 5.016 -4.289 7.787 1.00 0.00 O ATOM 879 CB ILE A 60 5.763 -6.014 5.299 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.405 -6.109 3.913 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.875 -7.222 5.561 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.353 -7.279 3.765 1.00 0.00 C ATOM 0 H ILE A 60 6.369 -3.254 5.922 1.00 0.00 H new ATOM 0 HA ILE A 60 4.151 -4.721 4.680 1.00 0.00 H new ATOM 0 HB ILE A 60 6.556 -6.002 6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.619 -6.191 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.946 -5.185 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.465 -8.134 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.460 -7.157 6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.063 -7.241 4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.771 -7.284 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.160 -7.188 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.812 -8.210 3.938 1.00 0.00 H new ATOM 894 N THR A 61 3.056 -4.974 6.917 1.00 0.00 N ATOM 895 CA THR A 61 2.355 -4.947 8.195 1.00 0.00 C ATOM 896 C THR A 61 1.214 -5.958 8.217 1.00 0.00 C ATOM 897 O THR A 61 0.557 -6.192 7.201 1.00 0.00 O ATOM 898 CB THR A 61 1.791 -3.546 8.496 1.00 0.00 C ATOM 899 OG1 THR A 61 1.120 -3.550 9.761 1.00 0.00 O ATOM 900 CG2 THR A 61 0.826 -3.105 7.406 1.00 0.00 C ATOM 0 H THR A 61 2.481 -5.266 6.127 1.00 0.00 H new ATOM 0 HA THR A 61 3.084 -5.209 8.962 1.00 0.00 H new ATOM 0 HB THR A 61 2.623 -2.843 8.528 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.766 -2.655 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.441 -2.113 7.641 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.347 -3.075 6.449 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.002 -3.811 7.346 1.00 0.00 H new ATOM 908 N THR A 62 0.981 -6.555 9.381 1.00 0.00 N ATOM 909 CA THR A 62 -0.081 -7.541 9.536 1.00 0.00 C ATOM 910 C THR A 62 -1.431 -6.866 9.751 1.00 0.00 C ATOM 911 O THR A 62 -2.381 -7.493 10.221 1.00 0.00 O ATOM 912 CB THR A 62 0.200 -8.490 10.717 1.00 0.00 C ATOM 913 OG1 THR A 62 0.450 -7.731 11.905 1.00 0.00 O ATOM 914 CG2 THR A 62 1.394 -9.385 10.419 1.00 0.00 C ATOM 0 H THR A 62 1.514 -6.373 10.231 1.00 0.00 H new ATOM 0 HA THR A 62 -0.110 -8.121 8.613 1.00 0.00 H new ATOM 0 HB THR A 62 -0.677 -9.120 10.867 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.626 -8.341 12.652 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.574 -10.046 11.267 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.189 -9.982 9.530 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.276 -8.769 10.246 1.00 0.00 H new ATOM 922 N ASP A 63 -1.509 -5.587 9.404 1.00 0.00 N ATOM 923 CA ASP A 63 -2.744 -4.827 9.557 1.00 0.00 C ATOM 924 C ASP A 63 -3.179 -4.222 8.226 1.00 0.00 C ATOM 925 O ASP A 63 -2.381 -4.099 7.296 1.00 0.00 O ATOM 926 CB ASP A 63 -2.562 -3.721 10.599 1.00 0.00 C ATOM 927 CG ASP A 63 -2.815 -4.209 12.011 1.00 0.00 C ATOM 928 OD1 ASP A 63 -2.649 -5.422 12.259 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.181 -3.378 12.870 1.00 0.00 O ATOM 0 H ASP A 63 -0.731 -5.054 9.015 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.522 -5.511 9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.549 -3.325 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.242 -2.899 10.375 1.00 0.00 H new ATOM 934 N THR A 64 -4.452 -3.846 8.140 1.00 0.00 N ATOM 935 CA THR A 64 -4.994 -3.257 6.923 1.00 0.00 C ATOM 936 C THR A 64 -4.679 -1.767 6.846 1.00 0.00 C ATOM 937 O THR A 64 -5.324 -1.024 6.106 1.00 0.00 O ATOM 938 CB THR A 64 -6.519 -3.452 6.835 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.083 -3.505 8.151 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.859 -4.729 6.081 1.00 0.00 C ATOM 0 H THR A 64 -5.126 -3.939 8.900 1.00 0.00 H new ATOM 0 HA THR A 64 -4.521 -3.770 6.086 1.00 0.00 H new ATOM 0 HB THR A 64 -6.940 -2.605 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.053 -3.627 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.942 -4.845 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.454 -4.674 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.426 -5.584 6.600 1.00 0.00 H new ATOM 948 N ARG A 65 -3.683 -1.337 7.614 1.00 0.00 N ATOM 949 CA ARG A 65 -3.283 0.065 7.632 1.00 0.00 C ATOM 950 C ARG A 65 -1.767 0.196 7.746 1.00 0.00 C ATOM 951 O ARG A 65 -1.067 -0.782 8.006 1.00 0.00 O ATOM 952 CB ARG A 65 -3.958 0.795 8.795 1.00 0.00 C ATOM 953 CG ARG A 65 -3.439 0.375 10.160 1.00 0.00 C ATOM 954 CD ARG A 65 -3.615 1.483 11.187 1.00 0.00 C ATOM 955 NE ARG A 65 -5.012 1.653 11.576 1.00 0.00 N ATOM 956 CZ ARG A 65 -5.400 2.338 12.646 1.00 0.00 C ATOM 957 NH1 ARG A 65 -4.499 2.914 13.430 1.00 0.00 N ATOM 958 NH2 ARG A 65 -6.690 2.448 12.934 1.00 0.00 N ATOM 0 H ARG A 65 -3.139 -1.939 8.232 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.600 0.520 6.694 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.811 1.868 8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.032 0.614 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.968 -0.518 10.493 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.384 0.112 10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.018 1.256 12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.236 2.420 10.778 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.730 1.222 10.994 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.506 2.832 13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.799 3.440 14.251 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.386 2.006 12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.986 2.974 13.756 1.00 0.00 H new ATOM 972 N PHE A 66 -1.267 1.412 7.550 1.00 0.00 N ATOM 973 CA PHE A 66 0.166 1.671 7.629 1.00 0.00 C ATOM 974 C PHE A 66 0.454 3.166 7.529 1.00 0.00 C ATOM 975 O PHE A 66 -0.369 3.938 7.036 1.00 0.00 O ATOM 976 CB PHE A 66 0.903 0.922 6.517 1.00 0.00 C ATOM 977 CG PHE A 66 2.395 0.908 6.692 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.010 -0.092 7.428 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.182 1.895 6.120 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.383 -0.108 7.590 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.555 1.883 6.279 1.00 0.00 C ATOM 982 CZ PHE A 66 5.156 0.882 7.015 1.00 0.00 C ATOM 0 H PHE A 66 -1.833 2.233 7.335 1.00 0.00 H new ATOM 0 HA PHE A 66 0.522 1.314 8.595 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.540 -0.105 6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.662 1.381 5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.410 -0.868 7.880 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.718 2.682 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.850 -0.893 8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.158 2.657 5.827 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.229 0.873 7.141 1.00 0.00 H new ATOM 992 N THR A 67 1.630 3.569 8.001 1.00 0.00 N ATOM 993 CA THR A 67 2.028 4.970 7.967 1.00 0.00 C ATOM 994 C THR A 67 3.436 5.129 7.405 1.00 0.00 C ATOM 995 O THR A 67 4.419 4.772 8.056 1.00 0.00 O ATOM 996 CB THR A 67 1.972 5.604 9.369 1.00 0.00 C ATOM 997 OG1 THR A 67 0.636 5.545 9.881 1.00 0.00 O ATOM 998 CG2 THR A 67 2.442 7.051 9.328 1.00 0.00 C ATOM 0 H THR A 67 2.323 2.944 8.412 1.00 0.00 H new ATOM 0 HA THR A 67 1.321 5.483 7.316 1.00 0.00 H new ATOM 0 HB THR A 67 2.637 5.041 10.025 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.610 5.949 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.394 7.478 10.330 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.470 7.090 8.966 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.800 7.623 8.658 1.00 0.00 H new ATOM 1006 N LEU A 68 3.527 5.666 6.193 1.00 0.00 N ATOM 1007 CA LEU A 68 4.817 5.873 5.543 1.00 0.00 C ATOM 1008 C LEU A 68 5.686 6.832 6.351 1.00 0.00 C ATOM 1009 O LEU A 68 5.236 7.413 7.339 1.00 0.00 O ATOM 1010 CB LEU A 68 4.615 6.417 4.128 1.00 0.00 C ATOM 1011 CG LEU A 68 4.036 5.437 3.108 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.436 4.011 3.451 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.521 5.567 3.045 1.00 0.00 C ATOM 0 H LEU A 68 2.724 5.966 5.641 1.00 0.00 H new ATOM 0 HA LEU A 68 5.327 4.911 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.956 7.283 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.576 6.772 3.756 1.00 0.00 H new ATOM 0 HG LEU A 68 4.443 5.681 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.015 3.328 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.523 3.926 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.058 3.755 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.125 4.862 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.096 5.350 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.255 6.582 2.751 1.00 0.00 H new ATOM 1025 N THR A 69 6.934 6.995 5.922 1.00 0.00 N ATOM 1026 CA THR A 69 7.866 7.884 6.604 1.00 0.00 C ATOM 1027 C THR A 69 9.030 8.262 5.695 1.00 0.00 C ATOM 1028 O THR A 69 9.173 7.725 4.597 1.00 0.00 O ATOM 1029 CB THR A 69 8.420 7.239 7.888 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.206 6.088 7.558 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.290 6.836 8.823 1.00 0.00 C ATOM 0 H THR A 69 7.322 6.523 5.105 1.00 0.00 H new ATOM 0 HA THR A 69 7.309 8.783 6.869 1.00 0.00 H new ATOM 0 HB THR A 69 9.046 7.973 8.396 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.556 5.684 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.706 6.383 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.711 7.718 9.096 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.642 6.118 8.322 1.00 0.00 H new ATOM 1039 N GLY A 70 9.862 9.189 6.160 1.00 0.00 N ATOM 1040 CA GLY A 70 11.003 9.622 5.376 1.00 0.00 C ATOM 1041 C GLY A 70 10.600 10.194 4.031 1.00 0.00 C ATOM 1042 O GLY A 70 11.307 10.020 3.037 1.00 0.00 O ATOM 0 H GLY A 70 9.766 9.648 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.559 10.374 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.675 8.778 5.222 1.00 0.00 H new ATOM 1046 N LEU A 71 9.461 10.876 3.998 1.00 0.00 N ATOM 1047 CA LEU A 71 8.963 11.474 2.764 1.00 0.00 C ATOM 1048 C LEU A 71 9.140 12.989 2.783 1.00 0.00 C ATOM 1049 O LEU A 71 9.372 13.584 3.835 1.00 0.00 O ATOM 1050 CB LEU A 71 7.487 11.124 2.564 1.00 0.00 C ATOM 1051 CG LEU A 71 7.064 9.723 3.006 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.550 9.633 3.118 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.591 8.675 2.036 1.00 0.00 C ATOM 0 H LEU A 71 8.865 11.029 4.811 1.00 0.00 H new ATOM 0 HA LEU A 71 9.542 11.069 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.885 11.852 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.247 11.238 1.507 1.00 0.00 H new ATOM 0 HG LEU A 71 7.493 9.529 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.268 8.629 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.196 10.357 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.100 9.849 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.280 7.684 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.191 8.867 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.680 8.722 2.005 1.00 0.00 H new ATOM 1065 N LYS A 72 9.027 13.607 1.612 1.00 0.00 N ATOM 1066 CA LYS A 72 9.171 15.053 1.493 1.00 0.00 C ATOM 1067 C LYS A 72 7.807 15.736 1.475 1.00 0.00 C ATOM 1068 O LYS A 72 6.846 15.241 0.886 1.00 0.00 O ATOM 1069 CB LYS A 72 9.947 15.406 0.222 1.00 0.00 C ATOM 1070 CG LYS A 72 10.019 16.898 -0.052 1.00 0.00 C ATOM 1071 CD LYS A 72 10.358 17.182 -1.505 1.00 0.00 C ATOM 1072 CE LYS A 72 11.823 16.897 -1.802 1.00 0.00 C ATOM 1073 NZ LYS A 72 12.336 17.735 -2.920 1.00 0.00 N ATOM 0 H LYS A 72 8.836 13.129 0.732 1.00 0.00 H new ATOM 0 HA LYS A 72 9.725 15.411 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.960 15.011 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.479 14.911 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.064 17.361 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.771 17.352 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.729 16.571 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.135 18.224 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.417 17.082 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.944 15.843 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.337 17.511 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.786 17.540 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.244 18.740 -2.671 1.00 0.00 H new ATOM 1087 N PRO A 73 7.719 16.901 2.134 1.00 0.00 N ATOM 1088 CA PRO A 73 6.478 17.677 2.206 1.00 0.00 C ATOM 1089 C PRO A 73 6.102 18.296 0.864 1.00 0.00 C ATOM 1090 O PRO A 73 6.968 18.739 0.110 1.00 0.00 O ATOM 1091 CB PRO A 73 6.802 18.771 3.227 1.00 0.00 C ATOM 1092 CG PRO A 73 8.283 18.919 3.165 1.00 0.00 C ATOM 1093 CD PRO A 73 8.824 17.550 2.859 1.00 0.00 C ATOM 0 HA PRO A 73 5.625 17.056 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.300 19.706 2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.474 18.489 4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.572 19.634 2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.678 19.292 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.728 17.602 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.082 17.007 3.768 1.00 0.00 H new ATOM 1101 N ASP A 74 4.806 18.322 0.573 1.00 0.00 N ATOM 1102 CA ASP A 74 4.315 18.888 -0.679 1.00 0.00 C ATOM 1103 C ASP A 74 4.882 18.132 -1.876 1.00 0.00 C ATOM 1104 O ASP A 74 5.395 18.735 -2.820 1.00 0.00 O ATOM 1105 CB ASP A 74 4.686 20.369 -0.773 1.00 0.00 C ATOM 1106 CG ASP A 74 4.313 20.975 -2.112 1.00 0.00 C ATOM 1107 OD1 ASP A 74 3.106 21.181 -2.355 1.00 0.00 O ATOM 1108 OD2 ASP A 74 5.230 21.243 -2.917 1.00 0.00 O ATOM 0 H ASP A 74 4.077 17.958 1.186 1.00 0.00 H new ATOM 0 HA ASP A 74 3.229 18.791 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.184 20.918 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.758 20.483 -0.612 1.00 0.00 H new ATOM 1113 N THR A 75 4.787 16.807 -1.832 1.00 0.00 N ATOM 1114 CA THR A 75 5.292 15.968 -2.911 1.00 0.00 C ATOM 1115 C THR A 75 4.434 14.719 -3.084 1.00 0.00 C ATOM 1116 O THR A 75 4.237 13.953 -2.140 1.00 0.00 O ATOM 1117 CB THR A 75 6.751 15.543 -2.658 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.630 16.648 -2.896 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.139 14.377 -3.554 1.00 0.00 C ATOM 0 H THR A 75 4.365 16.292 -1.060 1.00 0.00 H new ATOM 0 HA THR A 75 5.248 16.565 -3.822 1.00 0.00 H new ATOM 0 HB THR A 75 6.839 15.226 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.102 17.457 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.173 14.095 -3.357 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.486 13.528 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.036 14.671 -4.599 1.00 0.00 H new ATOM 1127 N THR A 76 3.927 14.518 -4.296 1.00 0.00 N ATOM 1128 CA THR A 76 3.090 13.363 -4.593 1.00 0.00 C ATOM 1129 C THR A 76 3.853 12.061 -4.375 1.00 0.00 C ATOM 1130 O THR A 76 4.978 11.903 -4.850 1.00 0.00 O ATOM 1131 CB THR A 76 2.569 13.403 -6.042 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.956 14.670 -6.307 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.564 12.287 -6.287 1.00 0.00 C ATOM 0 H THR A 76 4.082 15.141 -5.089 1.00 0.00 H new ATOM 0 HA THR A 76 2.242 13.404 -3.909 1.00 0.00 H new ATOM 0 HB THR A 76 3.416 13.262 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.629 14.688 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.210 12.336 -7.317 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.041 11.323 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.720 12.402 -5.607 1.00 0.00 H new ATOM 1141 N TYR A 77 3.234 11.131 -3.656 1.00 0.00 N ATOM 1142 CA TYR A 77 3.857 9.843 -3.374 1.00 0.00 C ATOM 1143 C TYR A 77 2.942 8.694 -3.788 1.00 0.00 C ATOM 1144 O TYR A 77 1.934 8.423 -3.135 1.00 0.00 O ATOM 1145 CB TYR A 77 4.195 9.731 -1.887 1.00 0.00 C ATOM 1146 CG TYR A 77 5.539 10.321 -1.525 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.707 9.584 -1.679 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.641 11.615 -1.029 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.937 10.119 -1.349 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.867 12.158 -0.698 1.00 0.00 C ATOM 1151 CZ TYR A 77 8.012 11.407 -0.860 1.00 0.00 C ATOM 1152 OH TYR A 77 9.235 11.944 -0.530 1.00 0.00 O ATOM 0 H TYR A 77 2.302 11.245 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 77 4.777 9.778 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.420 10.233 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.179 8.680 -1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.652 8.576 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.746 12.206 -0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.835 9.532 -1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.929 13.166 -0.314 1.00 0.00 H new ATOM 0 HH TYR A 77 9.398 12.743 -1.073 1.00 0.00 H new ATOM 1162 N ASP A 78 3.302 8.023 -4.876 1.00 0.00 N ATOM 1163 CA ASP A 78 2.516 6.901 -5.377 1.00 0.00 C ATOM 1164 C ASP A 78 2.521 5.745 -4.382 1.00 0.00 C ATOM 1165 O ASP A 78 3.449 4.936 -4.361 1.00 0.00 O ATOM 1166 CB ASP A 78 3.061 6.431 -6.727 1.00 0.00 C ATOM 1167 CG ASP A 78 2.444 5.121 -7.176 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.621 4.108 -6.467 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.784 5.109 -8.235 1.00 0.00 O ATOM 0 H ASP A 78 4.133 8.236 -5.428 1.00 0.00 H new ATOM 0 HA ASP A 78 1.488 7.240 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.869 7.196 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.143 6.315 -6.658 1.00 0.00 H new ATOM 1174 N ILE A 79 1.481 5.676 -3.557 1.00 0.00 N ATOM 1175 CA ILE A 79 1.367 4.619 -2.560 1.00 0.00 C ATOM 1176 C ILE A 79 0.300 3.605 -2.953 1.00 0.00 C ATOM 1177 O ILE A 79 -0.799 3.972 -3.370 1.00 0.00 O ATOM 1178 CB ILE A 79 1.029 5.192 -1.170 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.006 6.310 -0.803 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.058 4.089 -0.122 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.398 7.380 0.075 1.00 0.00 C ATOM 0 H ILE A 79 0.706 6.339 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 79 2.336 4.122 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 79 0.023 5.611 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.865 5.877 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.379 6.771 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.817 4.509 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.325 3.324 -0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.052 3.643 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.148 8.140 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.556 7.840 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.051 6.933 1.006 1.00 0.00 H new ATOM 1193 N LYS A 80 0.629 2.325 -2.817 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.302 1.254 -3.155 1.00 0.00 C ATOM 1195 C LYS A 80 -0.271 0.153 -2.100 1.00 0.00 C ATOM 1196 O LYS A 80 0.416 0.270 -1.086 1.00 0.00 O ATOM 1197 CB LYS A 80 0.037 0.670 -4.528 1.00 0.00 C ATOM 1198 CG LYS A 80 1.527 0.631 -4.821 1.00 0.00 C ATOM 1199 CD LYS A 80 1.807 0.779 -6.307 1.00 0.00 C ATOM 1200 CE LYS A 80 1.503 -0.506 -7.062 1.00 0.00 C ATOM 1201 NZ LYS A 80 2.048 -0.478 -8.448 1.00 0.00 N ATOM 0 H LYS A 80 1.534 2.003 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.307 1.676 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.364 -0.341 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.461 1.260 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.027 1.430 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.945 -0.310 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.205 1.592 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.852 1.051 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.927 -1.353 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.424 -0.659 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.820 -1.371 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.625 0.315 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.080 -0.358 -8.413 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.018 -0.918 -2.347 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.074 -2.042 -1.420 1.00 0.00 C ATOM 1217 C VAL A 81 -1.431 -3.335 -2.144 1.00 0.00 C ATOM 1218 O VAL A 81 -1.987 -3.310 -3.242 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.101 -1.794 -0.299 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.467 -2.332 -0.697 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.630 -2.424 1.004 1.00 0.00 C ATOM 0 H VAL A 81 -1.593 -1.031 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.082 -2.138 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.191 -0.719 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.179 -2.148 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.806 -1.830 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.396 -3.404 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.368 -2.239 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.509 -3.498 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.675 -1.986 1.296 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.108 -4.464 -1.522 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.394 -5.768 -2.108 1.00 0.00 C ATOM 1233 C ARG A 82 -1.496 -6.839 -1.026 1.00 0.00 C ATOM 1234 O ARG A 82 -0.626 -6.948 -0.162 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.307 -6.147 -3.115 1.00 0.00 C ATOM 1236 CG ARG A 82 1.043 -6.432 -2.477 1.00 0.00 C ATOM 1237 CD ARG A 82 2.052 -6.921 -3.504 1.00 0.00 C ATOM 1238 NE ARG A 82 3.413 -6.923 -2.975 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.499 -6.935 -3.740 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.383 -6.946 -5.061 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.704 -6.936 -3.185 1.00 0.00 N ATOM 0 H ARG A 82 -0.648 -4.502 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.352 -5.705 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.630 -7.027 -3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.195 -5.338 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.419 -5.528 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.926 -7.182 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.785 -7.929 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.007 -6.285 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 82 3.537 -6.915 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.458 -6.945 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.218 -6.955 -5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.798 -6.928 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.537 -6.945 -3.774 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.564 -7.628 -1.081 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.779 -8.691 -0.107 1.00 0.00 C ATOM 1257 C ALA A 83 -1.861 -9.879 -0.379 1.00 0.00 C ATOM 1258 O ALA A 83 -1.510 -10.153 -1.526 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.235 -9.133 -0.121 1.00 0.00 C ATOM 0 H ALA A 83 -3.294 -7.551 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.539 -8.299 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.381 -9.927 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.875 -8.287 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.494 -9.502 -1.113 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.477 -10.578 0.682 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.598 -11.736 0.557 1.00 0.00 C ATOM 1267 C TRP A 84 -1.247 -12.978 1.157 1.00 0.00 C ATOM 1268 O TRP A 84 -1.982 -12.894 2.142 1.00 0.00 O ATOM 1269 CB TRP A 84 0.741 -11.462 1.244 1.00 0.00 C ATOM 1270 CG TRP A 84 1.618 -10.517 0.480 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.398 -9.186 0.268 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.852 -10.831 -0.173 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.422 -8.654 -0.478 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.327 -9.642 -0.761 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.604 -12.000 -0.317 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.517 -9.592 -1.481 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.785 -11.949 -1.033 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.233 -10.752 -1.607 1.00 0.00 C ATOM 0 H TRP A 84 -1.760 -10.364 1.638 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.423 -11.916 -0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.555 -11.052 2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.270 -12.405 1.383 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.545 -8.633 0.633 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.496 -7.680 -0.773 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.268 -12.927 0.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.863 -8.670 -1.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.373 -12.847 -1.152 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.161 -10.744 -2.159 1.00 0.00 H new ATOM 1289 N THR A 85 -0.971 -14.133 0.558 1.00 0.00 N ATOM 1290 CA THR A 85 -1.529 -15.393 1.033 1.00 0.00 C ATOM 1291 C THR A 85 -0.427 -16.397 1.349 1.00 0.00 C ATOM 1292 O THR A 85 0.725 -16.213 0.957 1.00 0.00 O ATOM 1293 CB THR A 85 -2.488 -16.009 -0.003 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.830 -16.126 -1.270 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.741 -15.159 -0.153 1.00 0.00 C ATOM 0 H THR A 85 -0.364 -14.221 -0.257 1.00 0.00 H new ATOM 0 HA THR A 85 -2.085 -15.169 1.943 1.00 0.00 H new ATOM 0 HB THR A 85 -2.780 -16.999 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.445 -16.520 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.403 -15.614 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.255 -15.096 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.464 -14.158 -0.483 1.00 0.00 H new ATOM 1303 N SER A 86 -0.788 -17.460 2.060 1.00 0.00 N ATOM 1304 CA SER A 86 0.172 -18.494 2.432 1.00 0.00 C ATOM 1305 C SER A 86 0.984 -18.942 1.220 1.00 0.00 C ATOM 1306 O SER A 86 2.123 -19.390 1.352 1.00 0.00 O ATOM 1307 CB SER A 86 -0.550 -19.693 3.048 1.00 0.00 C ATOM 1308 OG SER A 86 0.276 -20.844 3.043 1.00 0.00 O ATOM 0 H SER A 86 -1.738 -17.628 2.390 1.00 0.00 H new ATOM 0 HA SER A 86 0.855 -18.073 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.845 -19.458 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.465 -19.896 2.491 1.00 0.00 H new ATOM 0 HG SER A 86 -0.208 -21.596 3.443 1.00 0.00 H new ATOM 1314 N LYS A 87 0.389 -18.818 0.039 1.00 0.00 N ATOM 1315 CA LYS A 87 1.055 -19.208 -1.198 1.00 0.00 C ATOM 1316 C LYS A 87 2.130 -18.195 -1.580 1.00 0.00 C ATOM 1317 O LYS A 87 3.306 -18.538 -1.694 1.00 0.00 O ATOM 1318 CB LYS A 87 0.035 -19.336 -2.332 1.00 0.00 C ATOM 1319 CG LYS A 87 -1.100 -20.298 -2.023 1.00 0.00 C ATOM 1320 CD LYS A 87 -0.771 -21.711 -2.476 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.026 -22.562 -2.599 1.00 0.00 C ATOM 1322 NZ LYS A 87 -1.708 -23.969 -2.968 1.00 0.00 N ATOM 0 H LYS A 87 -0.554 -18.450 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 87 1.532 -20.174 -1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.382 -18.352 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.547 -19.669 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.299 -20.295 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.010 -19.959 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.258 -21.676 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.085 -22.172 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.568 -22.548 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.686 -22.130 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.589 -24.516 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.213 -23.985 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.099 -24.390 -2.238 1.00 0.00 H new ATOM 1336 N GLY A 88 1.718 -16.946 -1.776 1.00 0.00 N ATOM 1337 CA GLY A 88 2.659 -15.904 -2.141 1.00 0.00 C ATOM 1338 C GLY A 88 2.014 -14.533 -2.195 1.00 0.00 C ATOM 1339 O GLY A 88 1.361 -14.109 -1.241 1.00 0.00 O ATOM 0 H GLY A 88 0.750 -16.638 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.477 -15.889 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.094 -16.136 -3.113 1.00 0.00 H new ATOM 1343 N SER A 89 2.197 -13.838 -3.313 1.00 0.00 N ATOM 1344 CA SER A 89 1.632 -12.504 -3.485 1.00 0.00 C ATOM 1345 C SER A 89 0.683 -12.467 -4.679 1.00 0.00 C ATOM 1346 O SER A 89 0.595 -13.424 -5.447 1.00 0.00 O ATOM 1347 CB SER A 89 2.748 -11.475 -3.674 1.00 0.00 C ATOM 1348 OG SER A 89 2.232 -10.244 -4.149 1.00 0.00 O ATOM 0 H SER A 89 2.732 -14.176 -4.113 1.00 0.00 H new ATOM 0 HA SER A 89 1.068 -12.256 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.264 -11.315 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.486 -11.859 -4.378 1.00 0.00 H new ATOM 0 HG SER A 89 2.973 -9.658 -4.411 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.026 -11.352 -4.828 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.960 -11.209 -5.930 1.00 0.00 C ATOM 1356 C GLY A 90 -0.788 -9.896 -6.669 1.00 0.00 C ATOM 1357 O GLY A 90 0.325 -9.401 -6.847 1.00 0.00 O ATOM 0 H GLY A 90 0.030 -10.546 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.824 -12.036 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.979 -11.278 -5.550 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.910 -9.313 -7.115 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.905 -8.043 -7.847 1.00 0.00 C ATOM 1363 C PRO A 91 -1.528 -6.863 -6.958 1.00 0.00 C ATOM 1364 O PRO A 91 -1.378 -7.010 -5.744 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.350 -7.907 -8.332 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.152 -8.705 -7.362 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.271 -9.847 -6.938 1.00 0.00 C ATOM 0 HA PRO A 91 -1.169 -8.039 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.667 -6.864 -8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.464 -8.287 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.444 -8.098 -6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.070 -9.070 -7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.458 -10.136 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.438 -10.732 -7.551 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.377 -5.693 -7.568 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.018 -4.486 -6.831 1.00 0.00 C ATOM 1377 C LEU A 92 -2.113 -3.430 -6.948 1.00 0.00 C ATOM 1378 O LEU A 92 -2.431 -2.969 -8.044 1.00 0.00 O ATOM 1379 CB LEU A 92 0.306 -3.923 -7.350 1.00 0.00 C ATOM 1380 CG LEU A 92 1.570 -4.432 -6.656 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.783 -4.248 -7.555 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.775 -3.717 -5.329 1.00 0.00 C ATOM 0 H LEU A 92 -1.498 -5.554 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.906 -4.752 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.383 -4.151 -8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.277 -2.837 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 92 1.448 -5.497 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.673 -4.616 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.638 -4.806 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.908 -3.190 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.679 -4.092 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.875 -2.646 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.918 -3.900 -4.681 1.00 0.00 H new ATOM 1394 N SER A 93 -2.685 -3.051 -5.810 1.00 0.00 N ATOM 1395 CA SER A 93 -3.746 -2.051 -5.784 1.00 0.00 C ATOM 1396 C SER A 93 -3.323 -0.790 -6.533 1.00 0.00 C ATOM 1397 O SER A 93 -2.137 -0.487 -6.668 1.00 0.00 O ATOM 1398 CB SER A 93 -4.112 -1.701 -4.340 1.00 0.00 C ATOM 1399 OG SER A 93 -3.259 -0.691 -3.828 1.00 0.00 O ATOM 0 H SER A 93 -2.432 -3.421 -4.894 1.00 0.00 H new ATOM 0 HA SER A 93 -4.620 -2.472 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.148 -1.364 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.040 -2.592 -3.717 1.00 0.00 H new ATOM 0 HG SER A 93 -3.508 0.175 -4.214 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.315 -0.038 -7.031 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.071 1.202 -7.774 1.00 0.00 C ATOM 1407 C PRO A 94 -3.541 2.318 -6.881 1.00 0.00 C ATOM 1408 O PRO A 94 -4.227 2.772 -5.965 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.454 1.565 -8.320 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.414 0.925 -7.378 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.751 -0.339 -6.907 1.00 0.00 C ATOM 0 HA PRO A 94 -3.313 1.072 -8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.595 2.645 -8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.589 1.193 -9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.637 1.585 -6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.361 0.708 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.024 -0.577 -5.879 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.036 -1.195 -7.519 1.00 0.00 H new ATOM 1419 N SER A 95 -2.317 2.758 -7.154 1.00 0.00 N ATOM 1420 CA SER A 95 -1.693 3.820 -6.373 1.00 0.00 C ATOM 1421 C SER A 95 -2.632 5.014 -6.234 1.00 0.00 C ATOM 1422 O SER A 95 -3.446 5.283 -7.118 1.00 0.00 O ATOM 1423 CB SER A 95 -0.382 4.260 -7.026 1.00 0.00 C ATOM 1424 OG SER A 95 -0.412 4.044 -8.427 1.00 0.00 O ATOM 0 H SER A 95 -1.737 2.395 -7.911 1.00 0.00 H new ATOM 0 HA SER A 95 -1.480 3.429 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.207 5.316 -6.821 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.449 3.708 -6.588 1.00 0.00 H new ATOM 0 HG SER A 95 0.473 4.230 -8.806 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.511 5.727 -5.120 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.347 6.894 -4.865 1.00 0.00 C ATOM 1432 C ILE A 96 -2.567 8.187 -5.079 1.00 0.00 C ATOM 1433 O ILE A 96 -3.146 9.228 -5.385 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.911 6.880 -3.432 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.825 6.468 -2.436 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.104 5.940 -3.342 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.270 6.541 -0.993 1.00 0.00 C ATOM 0 H ILE A 96 -1.842 5.517 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.174 6.850 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.246 7.886 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.507 5.450 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.955 7.111 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.492 5.941 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.883 6.274 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.793 4.931 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.450 6.235 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.561 7.564 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.121 5.877 -0.841 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.249 8.110 -4.918 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.390 9.274 -5.096 1.00 0.00 C ATOM 1451 C GLN A 97 -0.728 10.361 -4.080 1.00 0.00 C ATOM 1452 O GLN A 97 -0.924 11.521 -4.440 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.529 9.826 -6.516 1.00 0.00 C ATOM 1454 CG GLN A 97 0.461 9.227 -7.501 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.088 9.159 -8.912 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.497 10.172 -9.481 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.100 7.962 -9.486 1.00 0.00 N ATOM 0 H GLN A 97 -0.754 7.255 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 97 0.641 8.960 -4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.542 9.638 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.395 10.907 -6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.375 9.822 -7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.733 8.224 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.249 7.149 -8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.458 7.855 -10.435 1.00 0.00 H new ATOM 1466 N SER A 98 -0.796 9.976 -2.810 1.00 0.00 N ATOM 1467 CA SER A 98 -1.115 10.916 -1.742 1.00 0.00 C ATOM 1468 C SER A 98 0.056 11.859 -1.481 1.00 0.00 C ATOM 1469 O SER A 98 1.074 11.461 -0.916 1.00 0.00 O ATOM 1470 CB SER A 98 -1.472 10.162 -0.459 1.00 0.00 C ATOM 1471 OG SER A 98 -2.384 10.905 0.331 1.00 0.00 O ATOM 0 H SER A 98 -0.634 9.019 -2.495 1.00 0.00 H new ATOM 0 HA SER A 98 -1.974 11.508 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.908 9.195 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.566 9.964 0.114 1.00 0.00 H new ATOM 0 HG SER A 98 -3.209 10.389 0.451 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.098 13.112 -1.898 1.00 0.00 N ATOM 1478 CA ARG A 99 0.946 14.113 -1.712 1.00 0.00 C ATOM 1479 C ARG A 99 0.963 14.619 -0.272 1.00 0.00 C ATOM 1480 O ARG A 99 0.018 15.265 0.182 1.00 0.00 O ATOM 1481 CB ARG A 99 0.736 15.284 -2.673 1.00 0.00 C ATOM 1482 CG ARG A 99 1.613 16.487 -2.367 1.00 0.00 C ATOM 1483 CD ARG A 99 1.336 17.636 -3.324 1.00 0.00 C ATOM 1484 NE ARG A 99 -0.022 18.153 -3.180 1.00 0.00 N ATOM 1485 CZ ARG A 99 -1.074 17.641 -3.811 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -0.924 16.605 -4.624 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -2.278 18.167 -3.629 1.00 0.00 N ATOM 0 H ARG A 99 -0.935 13.458 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 99 1.907 13.644 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.936 14.948 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.310 15.589 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.438 16.815 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.662 16.200 -2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.051 18.439 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.489 17.299 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.171 18.950 -2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.001 16.198 -4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.733 16.214 -5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.397 18.965 -3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.085 17.774 -4.113 1.00 0.00 H new ATOM 1501 N THR A 100 2.044 14.320 0.442 1.00 0.00 N ATOM 1502 CA THR A 100 2.184 14.743 1.830 1.00 0.00 C ATOM 1503 C THR A 100 1.716 16.182 2.016 1.00 0.00 C ATOM 1504 O THR A 100 1.712 16.970 1.071 1.00 0.00 O ATOM 1505 CB THR A 100 3.642 14.623 2.309 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.490 15.456 1.510 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.121 13.182 2.232 1.00 0.00 C ATOM 0 H THR A 100 2.835 13.787 0.082 1.00 0.00 H new ATOM 0 HA THR A 100 1.558 14.080 2.427 1.00 0.00 H new ATOM 0 HB THR A 100 3.687 14.949 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.308 14.967 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.154 13.123 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.492 12.555 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.061 12.833 1.201 1.00 0.00 H new ATOM 1515 N MET A 101 1.322 16.517 3.240 1.00 0.00 N ATOM 1516 CA MET A 101 0.854 17.863 3.550 1.00 0.00 C ATOM 1517 C MET A 101 1.996 18.870 3.460 1.00 0.00 C ATOM 1518 O MET A 101 3.126 18.601 3.869 1.00 0.00 O ATOM 1519 CB MET A 101 0.234 17.901 4.948 1.00 0.00 C ATOM 1520 CG MET A 101 1.233 18.222 6.048 1.00 0.00 C ATOM 1521 SD MET A 101 0.444 18.486 7.648 1.00 0.00 S ATOM 1522 CE MET A 101 -0.537 16.994 7.791 1.00 0.00 C ATOM 0 H MET A 101 1.317 15.875 4.033 1.00 0.00 H new ATOM 0 HA MET A 101 0.095 18.135 2.816 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.562 18.645 4.963 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.228 16.936 5.158 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.950 17.406 6.131 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.796 19.114 5.773 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.400 16.562 8.783 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.590 17.235 7.642 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.219 16.276 7.036 1.00 0.00 H new ATOM 1532 N PRO A 102 1.697 20.058 2.913 1.00 0.00 N ATOM 1533 CA PRO A 102 2.686 21.129 2.757 1.00 0.00 C ATOM 1534 C PRO A 102 3.097 21.738 4.094 1.00 0.00 C ATOM 1535 O PRO A 102 2.379 22.564 4.657 1.00 0.00 O ATOM 1536 CB PRO A 102 1.955 22.164 1.900 1.00 0.00 C ATOM 1537 CG PRO A 102 0.509 21.925 2.167 1.00 0.00 C ATOM 1538 CD PRO A 102 0.371 20.447 2.405 1.00 0.00 C ATOM 0 HA PRO A 102 3.613 20.766 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.245 23.179 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.188 22.038 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.173 22.493 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.102 22.243 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.416 20.228 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.120 19.914 1.488 1.00 0.00 H new ATOM 1546 N VAL A 103 4.256 21.324 4.596 1.00 0.00 N ATOM 1547 CA VAL A 103 4.763 21.830 5.866 1.00 0.00 C ATOM 1548 C VAL A 103 4.607 23.344 5.955 1.00 0.00 C ATOM 1549 O VAL A 103 4.014 23.863 6.902 1.00 0.00 O ATOM 1550 CB VAL A 103 6.246 21.465 6.064 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.045 21.775 4.807 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.819 22.201 7.265 1.00 0.00 C ATOM 0 H VAL A 103 4.861 20.640 4.143 1.00 0.00 H new ATOM 0 HA VAL A 103 4.173 21.360 6.653 1.00 0.00 H new ATOM 0 HB VAL A 103 6.317 20.394 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.090 21.511 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.648 21.198 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.970 22.839 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.868 21.932 7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.737 23.276 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.263 21.924 8.161 1.00 0.00 H new