USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 24:sc= -1.24 USER MOD Set 1.2: A 64 MET CE :methyl -104:sc= -6.96! (180deg=-9.43!) USER MOD Set 2.1: A 14 MET CE :methyl 149:sc= -1.3 (180deg=-2.61!) USER MOD Set 2.2: A 48 SER OG : rot 170:sc= -0.077 USER MOD Set 3.1: A 32 MET CE :methyl -142:sc= -3.23! (180deg=-6.34!) USER MOD Set 3.2: A 84 SER OG : rot -53:sc= 0.064 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.13 USER MOD Single : A 13 ASN : amide:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0.00248 (180deg=-0.035) USER MOD Single : A 18 THR OG1 : rot 27:sc= 0.182 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.0352 (180deg=-0.291) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.73 K(o=-3.7,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 149:sc= -7.57! (180deg=-11.9!) USER MOD Single : A 61 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.48) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0353) USER MOD Single : A 71 ASN : amide:sc= 0.138 K(o=0.14,f=-4.3!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.359 USER MOD Single : A 81 GLN : amide:sc= -2.6 K(o=-2.6,f=-8.7!) USER MOD Single : A 86 SER OG : rot 161:sc= 0.465 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00034 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -3.4 K(o=-3.4,f=-8.9!) USER MOD Single : A 100 SER OG : rot 154:sc= 1.03 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.507 13.731 -6.905 1.00 0.00 N ATOM 79 CA LYS A 9 0.698 12.528 -6.990 1.00 0.00 C ATOM 80 C LYS A 9 1.602 11.330 -7.288 1.00 0.00 C ATOM 81 O LYS A 9 1.733 10.918 -8.440 1.00 0.00 O ATOM 82 CB LYS A 9 -0.432 12.712 -8.005 1.00 0.00 C ATOM 83 CG LYS A 9 -1.191 14.016 -7.750 1.00 0.00 C ATOM 84 CD LYS A 9 -2.678 13.857 -8.070 1.00 0.00 C ATOM 85 CE LYS A 9 -3.054 14.638 -9.331 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.486 14.444 -9.653 1.00 0.00 N ATOM 0 HA LYS A 9 0.210 12.330 -6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.021 12.718 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.120 11.869 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.069 14.314 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.767 14.813 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.913 12.802 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.274 14.209 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.849 15.698 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.439 14.307 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.725 14.981 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.672 13.433 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.069 14.781 -8.861 1.00 0.00 H new ATOM 100 N PRO A 10 2.220 10.792 -6.203 1.00 0.00 N ATOM 101 CA PRO A 10 3.109 9.651 -6.337 1.00 0.00 C ATOM 102 C PRO A 10 2.316 8.363 -6.567 1.00 0.00 C ATOM 103 O PRO A 10 2.854 7.380 -7.076 1.00 0.00 O ATOM 104 CB PRO A 10 3.917 9.628 -5.050 1.00 0.00 C ATOM 105 CG PRO A 10 3.137 10.469 -4.052 1.00 0.00 C ATOM 106 CD PRO A 10 2.089 11.255 -4.824 1.00 0.00 C ATOM 0 HA PRO A 10 3.766 9.730 -7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.043 8.608 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.915 10.036 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.663 9.833 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.805 11.145 -3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.088 11.067 -4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.264 12.328 -4.748 1.00 0.00 H new ATOM 114 N LEU A 11 1.049 8.408 -6.181 1.00 0.00 N ATOM 115 CA LEU A 11 0.177 7.257 -6.340 1.00 0.00 C ATOM 116 C LEU A 11 -0.846 7.545 -7.441 1.00 0.00 C ATOM 117 O LEU A 11 -1.716 6.720 -7.716 1.00 0.00 O ATOM 118 CB LEU A 11 -0.454 6.875 -4.999 1.00 0.00 C ATOM 119 CG LEU A 11 0.522 6.532 -3.872 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.682 5.681 -4.392 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.011 7.798 -3.166 1.00 0.00 C ATOM 0 H LEU A 11 0.606 9.224 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 11 0.750 6.386 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.084 7.701 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.109 6.018 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.008 5.935 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.361 5.451 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.293 4.753 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.219 6.231 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.703 7.526 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.519 8.442 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.160 8.329 -2.741 1.00 0.00 H new ATOM 133 N SER A 12 -0.707 8.719 -8.040 1.00 0.00 N ATOM 134 CA SER A 12 -1.609 9.126 -9.105 1.00 0.00 C ATOM 135 C SER A 12 -1.812 7.971 -10.088 1.00 0.00 C ATOM 136 O SER A 12 -0.968 7.728 -10.949 1.00 0.00 O ATOM 137 CB SER A 12 -1.075 10.358 -9.837 1.00 0.00 C ATOM 138 OG SER A 12 -2.057 11.386 -9.939 1.00 0.00 O ATOM 0 H SER A 12 0.016 9.401 -7.809 1.00 0.00 H new ATOM 0 HA SER A 12 -2.569 9.389 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.201 10.742 -9.310 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.745 10.072 -10.836 1.00 0.00 H new ATOM 0 HG SER A 12 -1.677 12.156 -10.411 1.00 0.00 H new ATOM 144 N ASN A 13 -2.937 7.290 -9.927 1.00 0.00 N ATOM 145 CA ASN A 13 -3.263 6.168 -10.790 1.00 0.00 C ATOM 146 C ASN A 13 -2.646 4.892 -10.213 1.00 0.00 C ATOM 147 O ASN A 13 -1.911 4.187 -10.903 1.00 0.00 O ATOM 148 CB ASN A 13 -2.697 6.372 -12.197 1.00 0.00 C ATOM 149 CG ASN A 13 -3.499 5.578 -13.230 1.00 0.00 C ATOM 150 OD1 ASN A 13 -4.614 5.921 -13.586 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.870 4.501 -13.691 1.00 0.00 N ATOM 0 H ASN A 13 -3.634 7.494 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.349 6.090 -10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.718 7.432 -12.451 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.653 6.059 -12.222 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.321 3.905 -14.385 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.937 4.271 -13.350 1.00 0.00 H new ATOM 158 N MET A 14 -2.968 4.633 -8.954 1.00 0.00 N ATOM 159 CA MET A 14 -2.455 3.455 -8.277 1.00 0.00 C ATOM 160 C MET A 14 -3.389 3.022 -7.146 1.00 0.00 C ATOM 161 O MET A 14 -3.768 3.834 -6.303 1.00 0.00 O ATOM 162 CB MET A 14 -1.068 3.757 -7.706 1.00 0.00 C ATOM 163 CG MET A 14 0.004 3.674 -8.795 1.00 0.00 C ATOM 164 SD MET A 14 1.628 3.704 -8.056 1.00 0.00 S ATOM 165 CE MET A 14 1.446 2.399 -6.852 1.00 0.00 C ATOM 0 H MET A 14 -3.578 5.220 -8.385 1.00 0.00 H new ATOM 0 HA MET A 14 -2.391 2.643 -9.001 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.063 4.752 -7.261 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.837 3.050 -6.909 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.124 2.760 -9.374 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.105 4.508 -9.488 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.408 1.909 -6.698 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.098 2.820 -5.909 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.721 1.669 -7.213 1.00 0.00 H new ATOM 175 N LYS A 15 -3.735 1.743 -7.164 1.00 0.00 N ATOM 176 CA LYS A 15 -4.618 1.192 -6.150 1.00 0.00 C ATOM 177 C LYS A 15 -3.786 0.722 -4.955 1.00 0.00 C ATOM 178 O LYS A 15 -3.041 -0.251 -5.057 1.00 0.00 O ATOM 179 CB LYS A 15 -5.505 0.099 -6.749 1.00 0.00 C ATOM 180 CG LYS A 15 -6.646 0.706 -7.568 1.00 0.00 C ATOM 181 CD LYS A 15 -7.386 -0.373 -8.362 1.00 0.00 C ATOM 182 CE LYS A 15 -8.675 -0.789 -7.652 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.197 -2.051 -8.222 1.00 0.00 N ATOM 0 H LYS A 15 -3.420 1.072 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.300 1.959 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.905 -0.554 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.915 -0.520 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.344 1.216 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.249 1.457 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.620 0.000 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.741 -1.242 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.485 -0.916 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.422 -0.002 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.861 -2.487 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.690 -1.851 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.407 -2.704 -8.401 1.00 0.00 H new ATOM 197 N ILE A 16 -3.941 1.436 -3.850 1.00 0.00 N ATOM 198 CA ILE A 16 -3.213 1.105 -2.637 1.00 0.00 C ATOM 199 C ILE A 16 -4.107 0.262 -1.724 1.00 0.00 C ATOM 200 O ILE A 16 -5.277 0.585 -1.526 1.00 0.00 O ATOM 201 CB ILE A 16 -2.676 2.373 -1.970 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.628 3.054 -2.852 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.139 2.072 -0.570 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.292 3.901 -3.940 1.00 0.00 C ATOM 0 H ILE A 16 -4.560 2.243 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.337 0.501 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.503 3.073 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.985 3.684 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.990 2.300 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.764 2.991 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.940 1.666 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.330 1.345 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.524 4.374 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.915 3.264 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.910 4.670 -3.476 1.00 0.00 H new ATOM 216 N LEU A 17 -3.522 -0.801 -1.194 1.00 0.00 N ATOM 217 CA LEU A 17 -4.251 -1.693 -0.308 1.00 0.00 C ATOM 218 C LEU A 17 -3.651 -1.611 1.097 1.00 0.00 C ATOM 219 O LEU A 17 -2.503 -1.200 1.263 1.00 0.00 O ATOM 220 CB LEU A 17 -4.283 -3.111 -0.881 1.00 0.00 C ATOM 221 CG LEU A 17 -5.399 -4.019 -0.362 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.022 -4.635 0.987 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.731 -3.269 -0.298 1.00 0.00 C ATOM 0 H LEU A 17 -2.551 -1.065 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.293 -1.383 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.373 -3.041 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.326 -3.588 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.526 -4.841 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.833 -5.276 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.114 -5.227 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.851 -3.841 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.507 -3.937 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.636 -2.415 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.000 -2.920 -1.295 1.00 0.00 H new ATOM 235 N THR A 18 -4.454 -2.009 2.073 1.00 0.00 N ATOM 236 CA THR A 18 -4.016 -1.986 3.458 1.00 0.00 C ATOM 237 C THR A 18 -4.473 -3.253 4.183 1.00 0.00 C ATOM 238 O THR A 18 -5.623 -3.668 4.051 1.00 0.00 O ATOM 239 CB THR A 18 -4.539 -0.698 4.098 1.00 0.00 C ATOM 240 OG1 THR A 18 -5.949 -0.761 3.904 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.112 0.553 3.328 1.00 0.00 C ATOM 0 H THR A 18 -5.405 -2.349 1.932 1.00 0.00 H new ATOM 0 HA THR A 18 -2.928 -1.983 3.529 1.00 0.00 H new ATOM 0 HB THR A 18 -4.181 -0.632 5.125 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.230 -1.698 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.509 1.439 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.024 0.610 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.498 0.503 2.310 1.00 0.00 H new ATOM 249 N LEU A 19 -3.548 -3.833 4.934 1.00 0.00 N ATOM 250 CA LEU A 19 -3.841 -5.045 5.680 1.00 0.00 C ATOM 251 C LEU A 19 -3.769 -4.747 7.178 1.00 0.00 C ATOM 252 O LEU A 19 -2.855 -4.063 7.635 1.00 0.00 O ATOM 253 CB LEU A 19 -2.921 -6.184 5.235 1.00 0.00 C ATOM 254 CG LEU A 19 -3.611 -7.400 4.614 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.753 -8.011 3.504 1.00 0.00 C ATOM 256 CD2 LEU A 19 -3.980 -8.428 5.685 1.00 0.00 C ATOM 0 H LEU A 19 -2.595 -3.486 5.042 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.855 -5.385 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.208 -5.787 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.346 -6.519 6.099 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.541 -7.066 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.267 -8.874 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.585 -7.269 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.795 -8.327 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.469 -9.282 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.077 -8.762 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.658 -7.973 6.408 1.00 0.00 H new ATOM 268 N GLY A 20 -4.746 -5.274 7.902 1.00 0.00 N ATOM 269 CA GLY A 20 -4.805 -5.072 9.340 1.00 0.00 C ATOM 270 C GLY A 20 -5.275 -3.656 9.676 1.00 0.00 C ATOM 271 O GLY A 20 -6.473 -3.377 9.667 1.00 0.00 O ATOM 0 H GLY A 20 -5.503 -5.841 7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.484 -5.799 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.821 -5.245 9.776 1.00 0.00 H new ATOM 275 N LYS A 21 -4.307 -2.798 9.964 1.00 0.00 N ATOM 276 CA LYS A 21 -4.607 -1.417 10.302 1.00 0.00 C ATOM 277 C LYS A 21 -3.308 -0.690 10.657 1.00 0.00 C ATOM 278 O LYS A 21 -2.443 -1.249 11.329 1.00 0.00 O ATOM 279 CB LYS A 21 -5.667 -1.354 11.403 1.00 0.00 C ATOM 280 CG LYS A 21 -5.753 0.052 12.002 1.00 0.00 C ATOM 281 CD LYS A 21 -7.085 0.260 12.725 1.00 0.00 C ATOM 282 CE LYS A 21 -6.948 -0.035 14.220 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.670 -1.279 14.572 1.00 0.00 N ATOM 0 H LYS A 21 -3.314 -3.033 9.970 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.039 -0.900 9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.637 -1.640 10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.426 -2.073 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.929 0.205 12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.644 0.795 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.424 1.286 12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.844 -0.390 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.895 -0.132 14.482 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.345 0.799 14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.567 -1.464 15.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.678 -1.173 14.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.273 -2.075 14.033 1.00 0.00 H new ATOM 297 N LEU A 22 -3.213 0.546 10.188 1.00 0.00 N ATOM 298 CA LEU A 22 -2.034 1.355 10.447 1.00 0.00 C ATOM 299 C LEU A 22 -2.254 2.177 11.719 1.00 0.00 C ATOM 300 O LEU A 22 -3.168 1.896 12.493 1.00 0.00 O ATOM 301 CB LEU A 22 -1.685 2.202 9.221 1.00 0.00 C ATOM 302 CG LEU A 22 -1.430 1.430 7.925 1.00 0.00 C ATOM 303 CD1 LEU A 22 -0.023 0.828 7.913 1.00 0.00 C ATOM 304 CD2 LEU A 22 -2.509 0.371 7.694 1.00 0.00 C ATOM 0 H LEU A 22 -3.933 1.006 9.631 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.167 0.718 10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.498 2.907 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.797 2.791 9.451 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.487 2.132 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.132 0.285 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.715 1.626 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.087 0.144 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.303 -0.162 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.511 -0.334 8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.484 0.854 7.626 1.00 0.00 H new ATOM 316 N SER A 23 -1.401 3.175 11.895 1.00 0.00 N ATOM 317 CA SER A 23 -1.491 4.039 13.060 1.00 0.00 C ATOM 318 C SER A 23 -2.673 4.999 12.909 1.00 0.00 C ATOM 319 O SER A 23 -3.232 5.462 13.903 1.00 0.00 O ATOM 320 CB SER A 23 -0.194 4.823 13.266 1.00 0.00 C ATOM 321 OG SER A 23 0.780 4.066 13.979 1.00 0.00 O ATOM 0 H SER A 23 -0.644 3.405 11.251 1.00 0.00 H new ATOM 0 HA SER A 23 -1.649 3.413 13.938 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.211 5.114 12.297 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.409 5.742 13.811 1.00 0.00 H new ATOM 0 HG SER A 23 1.594 4.601 14.089 1.00 0.00 H new ATOM 327 N ARG A 24 -3.019 5.270 11.659 1.00 0.00 N ATOM 328 CA ARG A 24 -4.124 6.166 11.366 1.00 0.00 C ATOM 329 C ARG A 24 -5.397 5.365 11.084 1.00 0.00 C ATOM 330 O ARG A 24 -5.390 4.137 11.154 1.00 0.00 O ATOM 331 CB ARG A 24 -3.809 7.052 10.159 1.00 0.00 C ATOM 332 CG ARG A 24 -2.657 8.010 10.468 1.00 0.00 C ATOM 333 CD ARG A 24 -2.883 9.371 9.807 1.00 0.00 C ATOM 334 NE ARG A 24 -1.749 10.274 10.106 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.579 10.904 11.277 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.469 10.734 12.265 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.520 11.705 11.459 1.00 0.00 N ATOM 0 H ARG A 24 -2.553 4.884 10.838 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.276 6.801 12.239 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.549 6.428 9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.696 7.622 9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.564 8.137 11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.719 7.582 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.986 9.248 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.813 9.810 10.168 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.054 10.426 9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.276 10.125 12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.340 11.213 13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.156 11.835 10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.390 12.185 12.350 1.00 0.00 H new ATOM 351 N ASN A 25 -6.459 6.093 10.771 1.00 0.00 N ATOM 352 CA ASN A 25 -7.736 5.466 10.478 1.00 0.00 C ATOM 353 C ASN A 25 -7.847 5.223 8.971 1.00 0.00 C ATOM 354 O ASN A 25 -7.304 5.987 8.174 1.00 0.00 O ATOM 355 CB ASN A 25 -8.901 6.364 10.898 1.00 0.00 C ATOM 356 CG ASN A 25 -9.320 6.079 12.342 1.00 0.00 C ATOM 357 OD1 ASN A 25 -9.094 5.008 12.881 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.942 7.093 12.935 1.00 0.00 N ATOM 0 H ASN A 25 -6.461 7.111 10.714 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.785 4.529 11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.612 7.410 10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.748 6.203 10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.262 7.001 13.899 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.099 7.963 12.426 1.00 0.00 H new ATOM 365 N LYS A 26 -8.552 4.156 8.626 1.00 0.00 N ATOM 366 CA LYS A 26 -8.741 3.803 7.229 1.00 0.00 C ATOM 367 C LYS A 26 -9.007 5.073 6.418 1.00 0.00 C ATOM 368 O LYS A 26 -8.248 5.403 5.508 1.00 0.00 O ATOM 369 CB LYS A 26 -9.834 2.742 7.087 1.00 0.00 C ATOM 370 CG LYS A 26 -9.560 1.828 5.891 1.00 0.00 C ATOM 371 CD LYS A 26 -10.510 0.629 5.888 1.00 0.00 C ATOM 372 CE LYS A 26 -9.852 -0.590 5.238 1.00 0.00 C ATOM 373 NZ LYS A 26 -9.408 -1.552 6.272 1.00 0.00 N ATOM 0 H LYS A 26 -9.000 3.524 9.290 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.836 3.350 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.889 2.147 7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.802 3.227 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.676 2.391 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.528 1.479 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.800 0.388 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.422 0.885 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.557 -1.074 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.999 -0.273 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.964 -2.373 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.720 -1.092 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.228 -1.867 6.828 1.00 0.00 H new ATOM 387 N ASP A 27 -10.087 5.751 6.778 1.00 0.00 N ATOM 388 CA ASP A 27 -10.462 6.977 6.095 1.00 0.00 C ATOM 389 C ASP A 27 -9.228 7.867 5.938 1.00 0.00 C ATOM 390 O ASP A 27 -8.794 8.142 4.820 1.00 0.00 O ATOM 391 CB ASP A 27 -11.508 7.756 6.896 1.00 0.00 C ATOM 392 CG ASP A 27 -12.735 6.945 7.318 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.559 6.055 8.177 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.821 7.234 6.771 1.00 0.00 O ATOM 0 H ASP A 27 -10.714 5.474 7.534 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.878 6.708 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.033 8.159 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.840 8.606 6.301 1.00 0.00 H new ATOM 399 N GLU A 28 -8.697 8.294 7.075 1.00 0.00 N ATOM 400 CA GLU A 28 -7.521 9.147 7.078 1.00 0.00 C ATOM 401 C GLU A 28 -6.540 8.703 5.991 1.00 0.00 C ATOM 402 O GLU A 28 -5.993 9.533 5.266 1.00 0.00 O ATOM 403 CB GLU A 28 -6.850 9.151 8.453 1.00 0.00 C ATOM 404 CG GLU A 28 -7.686 9.934 9.468 1.00 0.00 C ATOM 405 CD GLU A 28 -6.805 10.869 10.299 1.00 0.00 C ATOM 406 OE1 GLU A 28 -5.935 11.524 9.685 1.00 0.00 O ATOM 407 OE2 GLU A 28 -7.021 10.907 11.530 1.00 0.00 O ATOM 0 H GLU A 28 -9.060 8.065 8.000 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.836 10.168 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.716 8.126 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.857 9.593 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.448 10.514 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.209 9.240 10.127 1.00 0.00 H new ATOM 414 N VAL A 29 -6.347 7.394 5.911 1.00 0.00 N ATOM 415 CA VAL A 29 -5.442 6.829 4.925 1.00 0.00 C ATOM 416 C VAL A 29 -6.085 6.918 3.539 1.00 0.00 C ATOM 417 O VAL A 29 -5.507 7.493 2.618 1.00 0.00 O ATOM 418 CB VAL A 29 -5.064 5.400 5.319 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.295 4.706 4.193 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.263 5.384 6.622 1.00 0.00 C ATOM 0 H VAL A 29 -6.803 6.709 6.514 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.513 7.398 4.889 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.986 4.844 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.038 3.692 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.916 4.669 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.382 5.262 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.007 4.356 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.349 5.964 6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.861 5.820 7.422 1.00 0.00 H new ATOM 430 N LYS A 30 -7.272 6.339 3.435 1.00 0.00 N ATOM 431 CA LYS A 30 -7.999 6.346 2.177 1.00 0.00 C ATOM 432 C LYS A 30 -7.917 7.740 1.552 1.00 0.00 C ATOM 433 O LYS A 30 -7.870 7.874 0.330 1.00 0.00 O ATOM 434 CB LYS A 30 -9.431 5.848 2.384 1.00 0.00 C ATOM 435 CG LYS A 30 -10.276 6.070 1.127 1.00 0.00 C ATOM 436 CD LYS A 30 -11.764 5.877 1.426 1.00 0.00 C ATOM 437 CE LYS A 30 -12.303 4.622 0.737 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.018 4.980 -0.508 1.00 0.00 N ATOM 0 H LYS A 30 -7.748 5.862 4.201 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.543 5.653 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.418 4.787 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.883 6.370 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.106 7.076 0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.965 5.374 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.915 5.799 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.323 6.750 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.481 3.944 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.976 4.091 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.377 4.116 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.815 5.609 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.365 5.466 -1.156 1.00 0.00 H new ATOM 452 N ALA A 31 -7.901 8.742 2.419 1.00 0.00 N ATOM 453 CA ALA A 31 -7.825 10.121 1.967 1.00 0.00 C ATOM 454 C ALA A 31 -6.435 10.386 1.385 1.00 0.00 C ATOM 455 O ALA A 31 -6.310 10.828 0.244 1.00 0.00 O ATOM 456 CB ALA A 31 -8.159 11.058 3.129 1.00 0.00 C ATOM 0 H ALA A 31 -7.939 8.626 3.432 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.554 10.307 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.102 12.092 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.167 10.848 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.446 10.902 3.939 1.00 0.00 H new ATOM 462 N MET A 32 -5.425 10.105 2.196 1.00 0.00 N ATOM 463 CA MET A 32 -4.049 10.308 1.776 1.00 0.00 C ATOM 464 C MET A 32 -3.772 9.602 0.448 1.00 0.00 C ATOM 465 O MET A 32 -3.240 10.207 -0.482 1.00 0.00 O ATOM 466 CB MET A 32 -3.103 9.768 2.850 1.00 0.00 C ATOM 467 CG MET A 32 -2.317 10.903 3.510 1.00 0.00 C ATOM 468 SD MET A 32 -1.305 11.731 2.296 1.00 0.00 S ATOM 469 CE MET A 32 0.240 11.815 3.185 1.00 0.00 C ATOM 0 H MET A 32 -5.533 9.738 3.142 1.00 0.00 H new ATOM 0 HA MET A 32 -3.884 11.377 1.639 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.675 9.230 3.606 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.411 9.053 2.404 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.005 11.614 3.968 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.690 10.506 4.308 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.728 12.767 2.977 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.049 11.732 4.255 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.888 10.998 2.867 1.00 0.00 H new ATOM 479 N ILE A 33 -4.143 8.331 0.401 1.00 0.00 N ATOM 480 CA ILE A 33 -3.941 7.536 -0.798 1.00 0.00 C ATOM 481 C ILE A 33 -4.604 8.234 -1.986 1.00 0.00 C ATOM 482 O ILE A 33 -4.102 8.172 -3.107 1.00 0.00 O ATOM 483 CB ILE A 33 -4.427 6.102 -0.578 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.628 5.416 0.533 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.392 5.305 -1.884 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.350 4.165 1.035 1.00 0.00 C ATOM 0 H ILE A 33 -4.583 7.832 1.174 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.878 7.457 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.466 6.140 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.640 5.145 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.478 6.110 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.742 4.289 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.038 5.784 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.371 5.273 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.761 3.697 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.328 4.443 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.476 3.463 0.211 1.00 0.00 H new ATOM 498 N GLU A 34 -5.724 8.883 -1.701 1.00 0.00 N ATOM 499 CA GLU A 34 -6.461 9.593 -2.732 1.00 0.00 C ATOM 500 C GLU A 34 -5.800 10.941 -3.025 1.00 0.00 C ATOM 501 O GLU A 34 -5.606 11.303 -4.184 1.00 0.00 O ATOM 502 CB GLU A 34 -7.926 9.776 -2.330 1.00 0.00 C ATOM 503 CG GLU A 34 -8.747 8.529 -2.665 1.00 0.00 C ATOM 504 CD GLU A 34 -10.119 8.909 -3.225 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.171 9.916 -3.964 1.00 0.00 O ATOM 506 OE2 GLU A 34 -11.085 8.185 -2.902 1.00 0.00 O ATOM 0 H GLU A 34 -6.139 8.932 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.440 8.995 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.991 9.982 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.343 10.640 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.210 7.920 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.872 7.920 -1.770 1.00 0.00 H new ATOM 513 N LYS A 35 -5.473 11.649 -1.953 1.00 0.00 N ATOM 514 CA LYS A 35 -4.838 12.950 -2.081 1.00 0.00 C ATOM 515 C LYS A 35 -3.489 12.787 -2.783 1.00 0.00 C ATOM 516 O LYS A 35 -3.031 13.697 -3.473 1.00 0.00 O ATOM 517 CB LYS A 35 -4.743 13.635 -0.716 1.00 0.00 C ATOM 518 CG LYS A 35 -3.374 13.394 -0.076 1.00 0.00 C ATOM 519 CD LYS A 35 -2.384 14.493 -0.467 1.00 0.00 C ATOM 520 CE LYS A 35 -2.288 15.559 0.626 1.00 0.00 C ATOM 521 NZ LYS A 35 -2.057 16.894 0.030 1.00 0.00 N ATOM 0 H LYS A 35 -5.636 11.346 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.443 13.611 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.912 14.706 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.527 13.257 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.477 13.361 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.988 12.424 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.401 14.056 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.698 14.954 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.207 15.570 1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.476 15.314 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.994 17.606 0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.168 16.884 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.846 17.132 -0.605 1.00 0.00 H new ATOM 535 N LEU A 36 -2.891 11.622 -2.584 1.00 0.00 N ATOM 536 CA LEU A 36 -1.603 11.328 -3.190 1.00 0.00 C ATOM 537 C LEU A 36 -1.812 10.925 -4.651 1.00 0.00 C ATOM 538 O LEU A 36 -0.854 10.601 -5.352 1.00 0.00 O ATOM 539 CB LEU A 36 -0.849 10.284 -2.365 1.00 0.00 C ATOM 540 CG LEU A 36 -0.429 10.715 -0.958 1.00 0.00 C ATOM 541 CD1 LEU A 36 -0.048 9.504 -0.104 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.694 11.752 -1.015 1.00 0.00 C ATOM 0 H LEU A 36 -3.274 10.870 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.971 12.216 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.475 9.396 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.045 9.991 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.284 11.191 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.246 9.838 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.903 8.833 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.784 8.977 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.974 12.041 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.559 11.324 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.351 12.630 -1.562 1.00 0.00 H new ATOM 554 N GLY A 37 -3.069 10.958 -5.066 1.00 0.00 N ATOM 555 CA GLY A 37 -3.416 10.600 -6.431 1.00 0.00 C ATOM 556 C GLY A 37 -3.783 9.118 -6.533 1.00 0.00 C ATOM 557 O GLY A 37 -4.357 8.684 -7.531 1.00 0.00 O ATOM 0 H GLY A 37 -3.860 11.227 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.254 11.210 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.577 10.817 -7.092 1.00 0.00 H new ATOM 561 N GLY A 38 -3.437 8.382 -5.487 1.00 0.00 N ATOM 562 CA GLY A 38 -3.723 6.958 -5.445 1.00 0.00 C ATOM 563 C GLY A 38 -5.207 6.705 -5.172 1.00 0.00 C ATOM 564 O GLY A 38 -6.027 7.614 -5.286 1.00 0.00 O ATOM 0 H GLY A 38 -2.961 8.746 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.440 6.499 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.121 6.485 -4.669 1.00 0.00 H new ATOM 568 N LYS A 39 -5.507 5.464 -4.818 1.00 0.00 N ATOM 569 CA LYS A 39 -6.878 5.079 -4.528 1.00 0.00 C ATOM 570 C LYS A 39 -6.877 3.814 -3.667 1.00 0.00 C ATOM 571 O LYS A 39 -6.300 2.798 -4.051 1.00 0.00 O ATOM 572 CB LYS A 39 -7.681 4.941 -5.823 1.00 0.00 C ATOM 573 CG LYS A 39 -8.518 6.195 -6.085 1.00 0.00 C ATOM 574 CD LYS A 39 -10.013 5.890 -5.970 1.00 0.00 C ATOM 575 CE LYS A 39 -10.844 6.923 -6.734 1.00 0.00 C ATOM 576 NZ LYS A 39 -10.695 6.731 -8.194 1.00 0.00 N ATOM 0 H LYS A 39 -4.824 4.712 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.378 5.857 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.003 4.771 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.334 4.070 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.246 6.974 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.298 6.582 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.216 4.893 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.307 5.886 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.894 6.833 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.527 7.929 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.508 7.155 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.818 7.188 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.654 5.714 -8.408 1.00 0.00 H new ATOM 590 N LEU A 40 -7.530 3.918 -2.519 1.00 0.00 N ATOM 591 CA LEU A 40 -7.612 2.794 -1.601 1.00 0.00 C ATOM 592 C LEU A 40 -8.595 1.760 -2.153 1.00 0.00 C ATOM 593 O LEU A 40 -9.658 2.118 -2.659 1.00 0.00 O ATOM 594 CB LEU A 40 -7.956 3.279 -0.191 1.00 0.00 C ATOM 595 CG LEU A 40 -7.825 2.241 0.926 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.898 2.742 2.034 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.200 1.840 1.465 1.00 0.00 C ATOM 0 H LEU A 40 -8.007 4.763 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.644 2.300 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.311 4.125 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.981 3.651 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.369 1.344 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.822 1.985 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.908 2.937 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.301 3.662 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.079 1.102 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.706 2.720 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.796 1.413 0.659 1.00 0.00 H new ATOM 609 N THR A 41 -8.206 0.499 -2.036 1.00 0.00 N ATOM 610 CA THR A 41 -9.040 -0.589 -2.517 1.00 0.00 C ATOM 611 C THR A 41 -9.285 -1.607 -1.401 1.00 0.00 C ATOM 612 O THR A 41 -8.653 -1.541 -0.347 1.00 0.00 O ATOM 613 CB THR A 41 -8.367 -1.191 -3.751 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.160 -2.334 -4.058 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.985 -1.769 -3.441 1.00 0.00 C ATOM 0 H THR A 41 -7.324 0.206 -1.615 1.00 0.00 H new ATOM 0 HA THR A 41 -10.027 -0.231 -2.810 1.00 0.00 H new ATOM 0 HB THR A 41 -8.276 -0.427 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.794 -2.783 -4.848 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.551 -2.183 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.338 -0.980 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.079 -2.556 -2.693 1.00 0.00 H new ATOM 623 N GLY A 42 -10.202 -2.524 -1.671 1.00 0.00 N ATOM 624 CA GLY A 42 -10.538 -3.554 -0.703 1.00 0.00 C ATOM 625 C GLY A 42 -9.775 -4.848 -0.992 1.00 0.00 C ATOM 626 O GLY A 42 -9.207 -5.455 -0.085 1.00 0.00 O ATOM 0 H GLY A 42 -10.723 -2.575 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.301 -3.205 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.611 -3.747 -0.729 1.00 0.00 H new ATOM 630 N THR A 43 -9.786 -5.233 -2.260 1.00 0.00 N ATOM 631 CA THR A 43 -9.102 -6.444 -2.681 1.00 0.00 C ATOM 632 C THR A 43 -7.587 -6.229 -2.678 1.00 0.00 C ATOM 633 O THR A 43 -7.116 -5.100 -2.544 1.00 0.00 O ATOM 634 CB THR A 43 -9.655 -6.848 -4.049 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.020 -7.166 -3.790 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.057 -8.162 -4.557 1.00 0.00 C ATOM 0 H THR A 43 -10.258 -4.727 -3.010 1.00 0.00 H new ATOM 0 HA THR A 43 -9.284 -7.263 -1.986 1.00 0.00 H new ATOM 0 HB THR A 43 -9.456 -6.055 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.457 -7.437 -4.624 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.483 -8.403 -5.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.976 -8.058 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.286 -8.962 -3.853 1.00 0.00 H new ATOM 644 N ALA A 44 -6.865 -7.330 -2.828 1.00 0.00 N ATOM 645 CA ALA A 44 -5.413 -7.277 -2.844 1.00 0.00 C ATOM 646 C ALA A 44 -4.914 -7.520 -4.270 1.00 0.00 C ATOM 647 O ALA A 44 -4.081 -6.771 -4.776 1.00 0.00 O ATOM 648 CB ALA A 44 -4.853 -8.295 -1.848 1.00 0.00 C ATOM 0 H ALA A 44 -7.259 -8.264 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.062 -6.293 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.764 -8.255 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.213 -8.060 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.182 -9.296 -2.127 1.00 0.00 H new ATOM 654 N ASN A 45 -5.445 -8.572 -4.877 1.00 0.00 N ATOM 655 CA ASN A 45 -5.064 -8.924 -6.234 1.00 0.00 C ATOM 656 C ASN A 45 -5.444 -7.781 -7.178 1.00 0.00 C ATOM 657 O ASN A 45 -4.986 -7.736 -8.319 1.00 0.00 O ATOM 658 CB ASN A 45 -5.793 -10.185 -6.701 1.00 0.00 C ATOM 659 CG ASN A 45 -7.288 -10.102 -6.388 1.00 0.00 C ATOM 660 OD1 ASN A 45 -8.028 -9.324 -6.968 1.00 0.00 O ATOM 661 ND2 ASN A 45 -7.690 -10.946 -5.442 1.00 0.00 N ATOM 0 H ASN A 45 -6.136 -9.192 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.989 -9.103 -6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.649 -10.316 -7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.364 -11.060 -6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.670 -10.969 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.018 -11.571 -4.997 1.00 0.00 H new ATOM 668 N LYS A 46 -6.276 -6.886 -6.668 1.00 0.00 N ATOM 669 CA LYS A 46 -6.723 -5.747 -7.451 1.00 0.00 C ATOM 670 C LYS A 46 -6.117 -4.467 -6.872 1.00 0.00 C ATOM 671 O LYS A 46 -6.774 -3.428 -6.832 1.00 0.00 O ATOM 672 CB LYS A 46 -8.250 -5.720 -7.536 1.00 0.00 C ATOM 673 CG LYS A 46 -8.783 -6.981 -8.220 1.00 0.00 C ATOM 674 CD LYS A 46 -9.612 -6.626 -9.456 1.00 0.00 C ATOM 675 CE LYS A 46 -10.103 -7.888 -10.167 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.721 -7.859 -11.597 1.00 0.00 N ATOM 0 H LYS A 46 -6.653 -6.926 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.372 -5.831 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.672 -5.639 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.572 -4.838 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.950 -7.622 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.394 -7.549 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.465 -6.014 -9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.012 -6.028 -10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.678 -8.771 -9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.186 -7.966 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.062 -8.723 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.147 -7.027 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.686 -7.807 -11.679 1.00 0.00 H new ATOM 690 N ALA A 47 -4.870 -4.584 -6.439 1.00 0.00 N ATOM 691 CA ALA A 47 -4.168 -3.448 -5.864 1.00 0.00 C ATOM 692 C ALA A 47 -2.780 -3.339 -6.498 1.00 0.00 C ATOM 693 O ALA A 47 -2.218 -4.336 -6.947 1.00 0.00 O ATOM 694 CB ALA A 47 -4.104 -3.604 -4.343 1.00 0.00 C ATOM 0 H ALA A 47 -4.328 -5.447 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.701 -2.520 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.578 -2.752 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.115 -3.648 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.573 -4.523 -4.093 1.00 0.00 H new ATOM 700 N SER A 48 -2.267 -2.117 -6.514 1.00 0.00 N ATOM 701 CA SER A 48 -0.956 -1.864 -7.086 1.00 0.00 C ATOM 702 C SER A 48 0.118 -1.976 -6.002 1.00 0.00 C ATOM 703 O SER A 48 1.249 -2.370 -6.282 1.00 0.00 O ATOM 704 CB SER A 48 -0.900 -0.485 -7.748 1.00 0.00 C ATOM 705 OG SER A 48 0.245 -0.340 -8.584 1.00 0.00 O ATOM 0 H SER A 48 -2.736 -1.292 -6.140 1.00 0.00 H new ATOM 0 HA SER A 48 -0.768 -2.614 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.802 -0.330 -8.339 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.887 0.286 -6.978 1.00 0.00 H new ATOM 0 HG SER A 48 0.164 0.483 -9.110 1.00 0.00 H new ATOM 711 N LEU A 49 -0.274 -1.623 -4.787 1.00 0.00 N ATOM 712 CA LEU A 49 0.641 -1.679 -3.659 1.00 0.00 C ATOM 713 C LEU A 49 -0.132 -2.076 -2.400 1.00 0.00 C ATOM 714 O LEU A 49 -1.356 -1.961 -2.356 1.00 0.00 O ATOM 715 CB LEU A 49 1.403 -0.360 -3.522 1.00 0.00 C ATOM 716 CG LEU A 49 2.129 -0.140 -2.193 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.356 -1.047 -2.081 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.488 1.335 -2.002 1.00 0.00 C ATOM 0 H LEU A 49 -1.213 -1.297 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 49 1.400 -2.444 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.135 -0.301 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.700 0.460 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 49 1.451 -0.414 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.853 -0.870 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.044 -2.090 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.046 -0.828 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.003 1.464 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.139 1.659 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.578 1.935 -2.006 1.00 0.00 H new ATOM 730 N CYS A 50 0.614 -2.535 -1.406 1.00 0.00 N ATOM 731 CA CYS A 50 0.014 -2.950 -0.150 1.00 0.00 C ATOM 732 C CYS A 50 0.651 -2.136 0.979 1.00 0.00 C ATOM 733 O CYS A 50 1.857 -1.896 0.971 1.00 0.00 O ATOM 734 CB CYS A 50 0.163 -4.456 0.079 1.00 0.00 C ATOM 735 SG CYS A 50 -0.633 -4.931 1.657 1.00 0.00 S ATOM 0 H CYS A 50 1.629 -2.629 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.059 -2.757 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.291 -5.004 -0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.219 -4.726 0.099 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.503 -6.211 1.841 1.00 0.00 H new ATOM 741 N ILE A 51 -0.188 -1.735 1.922 1.00 0.00 N ATOM 742 CA ILE A 51 0.278 -0.953 3.055 1.00 0.00 C ATOM 743 C ILE A 51 -0.219 -1.595 4.351 1.00 0.00 C ATOM 744 O ILE A 51 -1.325 -1.309 4.806 1.00 0.00 O ATOM 745 CB ILE A 51 -0.132 0.513 2.899 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.578 1.157 1.706 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.107 1.290 4.195 1.00 0.00 C ATOM 748 CD1 ILE A 51 0.164 2.621 1.547 1.00 0.00 C ATOM 0 H ILE A 51 -1.188 -1.937 1.925 1.00 0.00 H new ATOM 0 HA ILE A 51 1.367 -0.953 3.096 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.202 0.548 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.657 1.093 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.339 0.607 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.193 2.329 4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.481 0.847 4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.165 1.249 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.683 3.055 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.912 2.679 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.426 3.173 2.449 1.00 0.00 H new ATOM 760 N SER A 52 0.623 -2.452 4.910 1.00 0.00 N ATOM 761 CA SER A 52 0.284 -3.138 6.145 1.00 0.00 C ATOM 762 C SER A 52 1.404 -2.955 7.170 1.00 0.00 C ATOM 763 O SER A 52 2.332 -2.178 6.949 1.00 0.00 O ATOM 764 CB SER A 52 0.030 -4.626 5.897 1.00 0.00 C ATOM 765 OG SER A 52 -0.773 -5.208 6.920 1.00 0.00 O ATOM 0 H SER A 52 1.540 -2.687 4.530 1.00 0.00 H new ATOM 0 HA SER A 52 -0.634 -2.701 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.462 -4.754 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.983 -5.152 5.841 1.00 0.00 H new ATOM 0 HG SER A 52 -1.307 -4.510 7.354 1.00 0.00 H new ATOM 771 N THR A 53 1.282 -3.683 8.270 1.00 0.00 N ATOM 772 CA THR A 53 2.273 -3.610 9.330 1.00 0.00 C ATOM 773 C THR A 53 3.049 -4.925 9.426 1.00 0.00 C ATOM 774 O THR A 53 2.577 -5.964 8.964 1.00 0.00 O ATOM 775 CB THR A 53 1.552 -3.234 10.626 1.00 0.00 C ATOM 776 OG1 THR A 53 0.487 -4.176 10.717 1.00 0.00 O ATOM 777 CG2 THR A 53 0.845 -1.881 10.532 1.00 0.00 C ATOM 0 H THR A 53 0.512 -4.327 8.450 1.00 0.00 H new ATOM 0 HA THR A 53 3.019 -2.843 9.122 1.00 0.00 H new ATOM 0 HB THR A 53 2.269 -3.212 11.446 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.032 -4.006 11.531 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.350 -1.663 11.478 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.577 -1.102 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.104 -1.912 9.733 1.00 0.00 H new ATOM 785 N LYS A 54 4.226 -4.839 10.028 1.00 0.00 N ATOM 786 CA LYS A 54 5.071 -6.009 10.190 1.00 0.00 C ATOM 787 C LYS A 54 4.223 -7.181 10.688 1.00 0.00 C ATOM 788 O LYS A 54 4.160 -8.225 10.040 1.00 0.00 O ATOM 789 CB LYS A 54 6.264 -5.687 11.093 1.00 0.00 C ATOM 790 CG LYS A 54 6.962 -6.967 11.556 1.00 0.00 C ATOM 791 CD LYS A 54 7.767 -7.596 10.417 1.00 0.00 C ATOM 792 CE LYS A 54 9.165 -6.983 10.329 1.00 0.00 C ATOM 793 NZ LYS A 54 9.751 -7.218 8.991 1.00 0.00 N ATOM 0 H LYS A 54 4.614 -3.976 10.410 1.00 0.00 H new ATOM 0 HA LYS A 54 5.496 -6.307 9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.972 -5.057 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.926 -5.119 11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.624 -6.742 12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.220 -7.679 11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.847 -8.672 10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.242 -7.450 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.112 -5.912 10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.808 -7.417 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.700 -6.795 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.820 -8.241 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.146 -6.783 8.266 1.00 0.00 H new ATOM 807 N LYS A 55 3.592 -6.969 11.833 1.00 0.00 N ATOM 808 CA LYS A 55 2.750 -7.996 12.425 1.00 0.00 C ATOM 809 C LYS A 55 1.952 -8.692 11.321 1.00 0.00 C ATOM 810 O LYS A 55 2.108 -9.892 11.100 1.00 0.00 O ATOM 811 CB LYS A 55 1.879 -7.401 13.533 1.00 0.00 C ATOM 812 CG LYS A 55 2.541 -7.569 14.902 1.00 0.00 C ATOM 813 CD LYS A 55 2.372 -6.309 15.752 1.00 0.00 C ATOM 814 CE LYS A 55 2.577 -6.617 17.236 1.00 0.00 C ATOM 815 NZ LYS A 55 1.315 -6.424 17.985 1.00 0.00 N ATOM 0 H LYS A 55 3.646 -6.102 12.367 1.00 0.00 H new ATOM 0 HA LYS A 55 3.360 -8.759 12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.707 -6.343 13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.904 -7.888 13.535 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.103 -8.422 15.419 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.602 -7.785 14.773 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.088 -5.552 15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.377 -5.893 15.598 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.924 -7.643 17.356 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.352 -5.968 17.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.472 -6.637 18.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.000 -5.438 17.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.585 -7.061 17.606 1.00 0.00 H new ATOM 829 N GLU A 56 1.113 -7.910 10.658 1.00 0.00 N ATOM 830 CA GLU A 56 0.289 -8.437 9.583 1.00 0.00 C ATOM 831 C GLU A 56 1.109 -9.381 8.701 1.00 0.00 C ATOM 832 O GLU A 56 0.843 -10.581 8.654 1.00 0.00 O ATOM 833 CB GLU A 56 -0.322 -7.305 8.755 1.00 0.00 C ATOM 834 CG GLU A 56 -1.849 -7.327 8.841 1.00 0.00 C ATOM 835 CD GLU A 56 -2.390 -8.744 8.637 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.760 -9.484 7.851 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.421 -9.054 9.271 1.00 0.00 O ATOM 0 H GLU A 56 0.986 -6.915 10.844 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.531 -9.003 10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.052 -6.345 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.011 -7.402 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.167 -6.949 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.269 -6.662 8.087 1.00 0.00 H new ATOM 844 N VAL A 57 2.089 -8.803 8.022 1.00 0.00 N ATOM 845 CA VAL A 57 2.949 -9.578 7.144 1.00 0.00 C ATOM 846 C VAL A 57 3.364 -10.869 7.852 1.00 0.00 C ATOM 847 O VAL A 57 3.343 -11.943 7.253 1.00 0.00 O ATOM 848 CB VAL A 57 4.143 -8.730 6.699 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.067 -9.526 5.776 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.677 -7.437 6.026 1.00 0.00 C ATOM 0 H VAL A 57 2.307 -7.807 8.062 1.00 0.00 H new ATOM 0 HA VAL A 57 2.413 -9.862 6.238 1.00 0.00 H new ATOM 0 HB VAL A 57 4.711 -8.459 7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.907 -8.900 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.440 -10.404 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.514 -9.842 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.545 -6.853 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.075 -7.679 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.079 -6.856 6.728 1.00 0.00 H new ATOM 860 N GLU A 58 3.731 -10.721 9.116 1.00 0.00 N ATOM 861 CA GLU A 58 4.150 -11.862 9.912 1.00 0.00 C ATOM 862 C GLU A 58 3.040 -12.914 9.958 1.00 0.00 C ATOM 863 O GLU A 58 3.314 -14.112 9.919 1.00 0.00 O ATOM 864 CB GLU A 58 4.553 -11.428 11.323 1.00 0.00 C ATOM 865 CG GLU A 58 6.074 -11.441 11.488 1.00 0.00 C ATOM 866 CD GLU A 58 6.465 -11.484 12.967 1.00 0.00 C ATOM 867 OE1 GLU A 58 5.913 -12.355 13.674 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.306 -10.646 13.356 1.00 0.00 O ATOM 0 H GLU A 58 3.747 -9.828 9.609 1.00 0.00 H new ATOM 0 HA GLU A 58 5.026 -12.307 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.171 -10.427 11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.099 -12.095 12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.492 -12.306 10.972 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.502 -10.554 11.021 1.00 0.00 H new ATOM 875 N LYS A 59 1.811 -12.427 10.039 1.00 0.00 N ATOM 876 CA LYS A 59 0.658 -13.310 10.090 1.00 0.00 C ATOM 877 C LYS A 59 0.558 -14.087 8.776 1.00 0.00 C ATOM 878 O LYS A 59 0.388 -15.306 8.782 1.00 0.00 O ATOM 879 CB LYS A 59 -0.606 -12.522 10.436 1.00 0.00 C ATOM 880 CG LYS A 59 -0.824 -12.472 11.950 1.00 0.00 C ATOM 881 CD LYS A 59 -0.512 -11.080 12.503 1.00 0.00 C ATOM 882 CE LYS A 59 -1.265 -10.828 13.811 1.00 0.00 C ATOM 883 NZ LYS A 59 -0.360 -10.998 14.970 1.00 0.00 N ATOM 0 H LYS A 59 1.588 -11.432 10.071 1.00 0.00 H new ATOM 0 HA LYS A 59 0.776 -14.044 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.526 -11.509 10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.469 -12.983 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.856 -12.736 12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.189 -13.212 12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.560 -10.984 12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.788 -10.323 11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.680 -9.820 13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.105 -11.518 13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.886 -10.824 15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.016 -11.968 14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.427 -10.322 14.898 1.00 0.00 H new ATOM 897 N MET A 60 0.666 -13.351 7.680 1.00 0.00 N ATOM 898 CA MET A 60 0.590 -13.955 6.361 1.00 0.00 C ATOM 899 C MET A 60 -0.796 -14.553 6.112 1.00 0.00 C ATOM 900 O MET A 60 -0.922 -15.586 5.455 1.00 0.00 O ATOM 901 CB MET A 60 1.649 -15.053 6.241 1.00 0.00 C ATOM 902 CG MET A 60 2.911 -14.525 5.557 1.00 0.00 C ATOM 903 SD MET A 60 2.787 -14.747 3.790 1.00 0.00 S ATOM 904 CE MET A 60 2.168 -13.141 3.318 1.00 0.00 C ATOM 0 H MET A 60 0.806 -12.341 7.678 1.00 0.00 H new ATOM 0 HA MET A 60 0.771 -13.181 5.616 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.899 -15.431 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.246 -15.891 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.046 -13.469 5.790 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.787 -15.050 5.937 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.530 -12.890 2.321 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.078 -13.158 3.315 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.517 -12.393 4.030 1.00 0.00 H new ATOM 914 N ASN A 61 -1.802 -13.878 6.648 1.00 0.00 N ATOM 915 CA ASN A 61 -3.174 -14.329 6.492 1.00 0.00 C ATOM 916 C ASN A 61 -3.542 -14.323 5.007 1.00 0.00 C ATOM 917 O ASN A 61 -2.702 -14.033 4.157 1.00 0.00 O ATOM 918 CB ASN A 61 -4.146 -13.402 7.224 1.00 0.00 C ATOM 919 CG ASN A 61 -5.200 -14.205 7.988 1.00 0.00 C ATOM 920 OD1 ASN A 61 -4.911 -15.194 8.642 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.435 -13.726 7.871 1.00 0.00 N ATOM 0 H ASN A 61 -1.694 -13.021 7.191 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.249 -15.332 6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.595 -12.766 7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.635 -12.743 6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.209 -14.191 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.608 -12.893 7.308 1.00 0.00 H new ATOM 928 N LYS A 62 -4.799 -14.646 4.740 1.00 0.00 N ATOM 929 CA LYS A 62 -5.289 -14.682 3.373 1.00 0.00 C ATOM 930 C LYS A 62 -5.104 -13.304 2.734 1.00 0.00 C ATOM 931 O LYS A 62 -4.632 -13.199 1.603 1.00 0.00 O ATOM 932 CB LYS A 62 -6.732 -15.189 3.333 1.00 0.00 C ATOM 933 CG LYS A 62 -6.775 -16.718 3.296 1.00 0.00 C ATOM 934 CD LYS A 62 -6.869 -17.299 4.708 1.00 0.00 C ATOM 935 CE LYS A 62 -8.329 -17.471 5.133 1.00 0.00 C ATOM 936 NZ LYS A 62 -8.709 -18.901 5.114 1.00 0.00 N ATOM 0 H LYS A 62 -5.493 -14.885 5.448 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.711 -15.390 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.273 -14.827 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.239 -14.786 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.630 -17.047 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.881 -17.098 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.360 -18.262 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.357 -16.642 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.473 -17.064 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.978 -16.907 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.703 -19.000 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.590 -19.279 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.101 -19.430 5.771 1.00 0.00 H new ATOM 950 N LYS A 63 -5.485 -12.282 3.486 1.00 0.00 N ATOM 951 CA LYS A 63 -5.367 -10.915 3.007 1.00 0.00 C ATOM 952 C LYS A 63 -3.925 -10.658 2.563 1.00 0.00 C ATOM 953 O LYS A 63 -3.685 -9.868 1.651 1.00 0.00 O ATOM 954 CB LYS A 63 -5.869 -9.931 4.065 1.00 0.00 C ATOM 955 CG LYS A 63 -7.396 -9.839 4.047 1.00 0.00 C ATOM 956 CD LYS A 63 -7.862 -8.409 4.327 1.00 0.00 C ATOM 957 CE LYS A 63 -9.206 -8.403 5.059 1.00 0.00 C ATOM 958 NZ LYS A 63 -10.052 -7.287 4.581 1.00 0.00 N ATOM 0 H LYS A 63 -5.876 -12.373 4.424 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.002 -10.761 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.532 -10.249 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.440 -8.946 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.772 -10.165 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.813 -10.514 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.115 -7.890 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.953 -7.862 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.719 -9.351 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.042 -8.309 6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.960 -7.298 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.568 -6.384 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.224 -7.394 3.561 1.00 0.00 H new ATOM 972 N MET A 64 -3.004 -11.340 3.228 1.00 0.00 N ATOM 973 CA MET A 64 -1.593 -11.195 2.913 1.00 0.00 C ATOM 974 C MET A 64 -1.150 -12.240 1.888 1.00 0.00 C ATOM 975 O MET A 64 -0.058 -12.144 1.330 1.00 0.00 O ATOM 976 CB MET A 64 -0.766 -11.350 4.191 1.00 0.00 C ATOM 977 CG MET A 64 0.581 -10.636 4.063 1.00 0.00 C ATOM 978 SD MET A 64 0.326 -8.876 3.904 1.00 0.00 S ATOM 979 CE MET A 64 -0.162 -8.482 5.575 1.00 0.00 C ATOM 0 H MET A 64 -3.207 -11.994 3.984 1.00 0.00 H new ATOM 0 HA MET A 64 -1.435 -10.205 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.319 -10.942 5.038 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.603 -12.408 4.397 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.197 -10.845 4.937 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.121 -11.014 3.195 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.240 -8.323 5.611 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.105 -9.306 6.236 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.350 -7.576 5.899 1.00 0.00 H new ATOM 989 N GLU A 65 -2.020 -13.216 1.671 1.00 0.00 N ATOM 990 CA GLU A 65 -1.732 -14.278 0.722 1.00 0.00 C ATOM 991 C GLU A 65 -2.084 -13.832 -0.698 1.00 0.00 C ATOM 992 O GLU A 65 -1.408 -14.205 -1.656 1.00 0.00 O ATOM 993 CB GLU A 65 -2.477 -15.562 1.094 1.00 0.00 C ATOM 994 CG GLU A 65 -3.741 -15.727 0.247 1.00 0.00 C ATOM 995 CD GLU A 65 -4.321 -17.135 0.398 1.00 0.00 C ATOM 996 OE1 GLU A 65 -3.924 -17.811 1.371 1.00 0.00 O ATOM 997 OE2 GLU A 65 -5.149 -17.502 -0.463 1.00 0.00 O ATOM 0 H GLU A 65 -2.924 -13.293 2.136 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.664 -14.492 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.823 -16.422 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.743 -15.539 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.484 -14.989 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.509 -15.536 -0.801 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.141 -13.039 -0.790 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.591 -12.537 -2.077 1.00 0.00 C ATOM 1006 C GLU A 66 -2.544 -11.595 -2.675 1.00 0.00 C ATOM 1007 O GLU A 66 -2.466 -11.441 -3.893 1.00 0.00 O ATOM 1008 CB GLU A 66 -4.947 -11.840 -1.951 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.033 -12.828 -1.519 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.888 -13.259 -2.712 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.281 -13.646 -3.734 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.129 -13.193 -2.574 1.00 0.00 O ATOM 0 H GLU A 66 -3.699 -12.731 0.006 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.717 -13.384 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.878 -11.030 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.219 -11.390 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.572 -13.704 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.666 -12.369 -0.760 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.765 -10.990 -1.791 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.726 -10.067 -2.216 1.00 0.00 C ATOM 1021 C VAL A 67 0.576 -10.839 -2.436 1.00 0.00 C ATOM 1022 O VAL A 67 1.415 -10.432 -3.239 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.585 -8.933 -1.199 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.412 -9.217 0.057 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.884 -8.694 -0.845 1.00 0.00 C ATOM 0 H VAL A 67 -1.832 -11.121 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.993 -9.602 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.972 -8.023 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.294 -8.396 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.463 -9.315 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.068 -10.144 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.956 -7.883 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.307 -9.602 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.436 -8.426 -1.746 1.00 0.00 H new ATOM 1035 N LYS A 68 0.705 -11.940 -1.710 1.00 0.00 N ATOM 1036 CA LYS A 68 1.891 -12.772 -1.816 1.00 0.00 C ATOM 1037 C LYS A 68 1.889 -13.485 -3.169 1.00 0.00 C ATOM 1038 O LYS A 68 2.934 -13.932 -3.641 1.00 0.00 O ATOM 1039 CB LYS A 68 1.987 -13.722 -0.620 1.00 0.00 C ATOM 1040 CG LYS A 68 3.267 -14.557 -0.685 1.00 0.00 C ATOM 1041 CD LYS A 68 3.825 -14.815 0.716 1.00 0.00 C ATOM 1042 CE LYS A 68 5.280 -15.285 0.649 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.372 -16.589 -0.045 1.00 0.00 N ATOM 0 H LYS A 68 0.007 -12.275 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 68 2.791 -12.159 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.969 -13.149 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.119 -14.381 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.061 -15.507 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.013 -14.039 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.761 -13.904 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.219 -15.568 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.884 -14.544 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.687 -15.373 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.341 -16.958 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.708 -17.261 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.132 -16.465 -1.049 1.00 0.00 H new ATOM 1057 N GLU A 69 0.705 -13.569 -3.757 1.00 0.00 N ATOM 1058 CA GLU A 69 0.554 -14.219 -5.047 1.00 0.00 C ATOM 1059 C GLU A 69 0.790 -13.217 -6.178 1.00 0.00 C ATOM 1060 O GLU A 69 1.377 -13.559 -7.204 1.00 0.00 O ATOM 1061 CB GLU A 69 -0.824 -14.874 -5.173 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.186 -15.639 -3.898 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.412 -17.123 -4.195 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -0.526 -17.712 -4.851 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -2.465 -17.635 -3.759 1.00 0.00 O ATOM 0 H GLU A 69 -0.159 -13.197 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 69 1.303 -15.007 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.577 -14.111 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.831 -15.555 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.388 -15.529 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.086 -15.212 -3.456 1.00 0.00 H new ATOM 1072 N ALA A 70 0.320 -11.998 -5.954 1.00 0.00 N ATOM 1073 CA ALA A 70 0.472 -10.944 -6.941 1.00 0.00 C ATOM 1074 C ALA A 70 1.823 -10.255 -6.741 1.00 0.00 C ATOM 1075 O ALA A 70 2.099 -9.228 -7.360 1.00 0.00 O ATOM 1076 CB ALA A 70 -0.702 -9.968 -6.832 1.00 0.00 C ATOM 0 H ALA A 70 -0.166 -11.718 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 70 0.459 -11.358 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.588 -9.177 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.636 -10.501 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.720 -9.530 -5.834 1.00 0.00 H new ATOM 1082 N ASN A 71 2.631 -10.847 -5.873 1.00 0.00 N ATOM 1083 CA ASN A 71 3.947 -10.303 -5.583 1.00 0.00 C ATOM 1084 C ASN A 71 3.831 -8.795 -5.355 1.00 0.00 C ATOM 1085 O ASN A 71 4.546 -8.012 -5.980 1.00 0.00 O ATOM 1086 CB ASN A 71 4.907 -10.533 -6.752 1.00 0.00 C ATOM 1087 CG ASN A 71 6.310 -10.879 -6.249 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.578 -10.920 -5.059 1.00 0.00 O ATOM 1089 ND2 ASN A 71 7.187 -11.125 -7.218 1.00 0.00 N ATOM 0 H ASN A 71 2.399 -11.698 -5.361 1.00 0.00 H new ATOM 0 HA ASN A 71 4.333 -10.805 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.533 -11.341 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.950 -9.639 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.150 -11.365 -6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.896 -11.073 -8.194 1.00 0.00 H new ATOM 1096 N ILE A 72 2.926 -8.431 -4.459 1.00 0.00 N ATOM 1097 CA ILE A 72 2.708 -7.031 -4.141 1.00 0.00 C ATOM 1098 C ILE A 72 3.499 -6.669 -2.882 1.00 0.00 C ATOM 1099 O ILE A 72 3.210 -7.171 -1.797 1.00 0.00 O ATOM 1100 CB ILE A 72 1.211 -6.732 -4.033 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.514 -6.931 -5.381 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.970 -5.333 -3.464 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.007 -6.888 -5.223 1.00 0.00 C ATOM 0 H ILE A 72 2.335 -9.082 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 72 3.079 -6.396 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 72 0.770 -7.443 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.833 -6.156 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.812 -7.887 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.102 -5.147 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.412 -5.263 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.428 -4.591 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.478 -7.032 -6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.325 -7.680 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.303 -5.921 -4.816 1.00 0.00 H new ATOM 1115 N ARG A 73 4.482 -5.800 -3.069 1.00 0.00 N ATOM 1116 CA ARG A 73 5.317 -5.365 -1.963 1.00 0.00 C ATOM 1117 C ARG A 73 4.458 -4.727 -0.868 1.00 0.00 C ATOM 1118 O ARG A 73 3.593 -3.901 -1.155 1.00 0.00 O ATOM 1119 CB ARG A 73 6.368 -4.356 -2.429 1.00 0.00 C ATOM 1120 CG ARG A 73 5.729 -2.998 -2.728 1.00 0.00 C ATOM 1121 CD ARG A 73 6.607 -2.176 -3.675 1.00 0.00 C ATOM 1122 NE ARG A 73 5.840 -1.809 -4.886 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.395 -1.352 -6.017 1.00 0.00 C ATOM 1124 NH1 ARG A 73 7.724 -1.203 -6.098 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.620 -1.045 -7.066 1.00 0.00 N ATOM 0 H ARG A 73 4.719 -5.386 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 73 5.825 -6.244 -1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.133 -4.241 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.867 -4.732 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.745 -3.145 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.579 -2.450 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.957 -1.276 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.491 -2.749 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 73 4.825 -1.910 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.313 -1.437 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.147 -0.855 -6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.608 -1.159 -7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.042 -0.697 -7.927 1.00 0.00 H new ATOM 1139 N VAL A 74 4.726 -5.136 0.363 1.00 0.00 N ATOM 1140 CA VAL A 74 3.989 -4.615 1.502 1.00 0.00 C ATOM 1141 C VAL A 74 4.848 -3.578 2.228 1.00 0.00 C ATOM 1142 O VAL A 74 5.962 -3.877 2.653 1.00 0.00 O ATOM 1143 CB VAL A 74 3.545 -5.765 2.408 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.533 -5.282 3.449 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.977 -6.923 1.586 1.00 0.00 C ATOM 0 H VAL A 74 5.443 -5.822 0.597 1.00 0.00 H new ATOM 0 HA VAL A 74 3.081 -4.111 1.172 1.00 0.00 H new ATOM 0 HB VAL A 74 4.423 -6.132 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.233 -6.118 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.987 -4.506 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.656 -4.877 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.669 -7.727 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.116 -6.576 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.741 -7.293 0.902 1.00 0.00 H new ATOM 1155 N VAL A 75 4.296 -2.379 2.349 1.00 0.00 N ATOM 1156 CA VAL A 75 4.997 -1.296 3.017 1.00 0.00 C ATOM 1157 C VAL A 75 4.180 -0.834 4.226 1.00 0.00 C ATOM 1158 O VAL A 75 3.052 -1.283 4.425 1.00 0.00 O ATOM 1159 CB VAL A 75 5.285 -0.168 2.024 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.099 -0.681 0.834 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.989 0.496 1.557 1.00 0.00 C ATOM 0 H VAL A 75 3.371 -2.134 1.995 1.00 0.00 H new ATOM 0 HA VAL A 75 5.963 -1.638 3.389 1.00 0.00 H new ATOM 0 HB VAL A 75 5.881 0.587 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.290 0.140 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.047 -1.085 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.540 -1.464 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.222 1.294 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.356 -0.245 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.464 0.913 2.416 1.00 0.00 H new ATOM 1171 N SER A 76 4.781 0.057 5.000 1.00 0.00 N ATOM 1172 CA SER A 76 4.123 0.585 6.184 1.00 0.00 C ATOM 1173 C SER A 76 3.404 1.891 5.844 1.00 0.00 C ATOM 1174 O SER A 76 3.527 2.400 4.731 1.00 0.00 O ATOM 1175 CB SER A 76 5.126 0.810 7.317 1.00 0.00 C ATOM 1176 OG SER A 76 4.540 0.601 8.598 1.00 0.00 O ATOM 0 H SER A 76 5.716 0.427 4.831 1.00 0.00 H new ATOM 0 HA SER A 76 3.391 -0.147 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.972 0.135 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.517 1.826 7.259 1.00 0.00 H new ATOM 0 HG SER A 76 5.213 0.753 9.294 1.00 0.00 H new ATOM 1182 N GLU A 77 2.668 2.397 6.823 1.00 0.00 N ATOM 1183 CA GLU A 77 1.928 3.634 6.641 1.00 0.00 C ATOM 1184 C GLU A 77 2.889 4.789 6.350 1.00 0.00 C ATOM 1185 O GLU A 77 2.602 5.644 5.513 1.00 0.00 O ATOM 1186 CB GLU A 77 1.060 3.939 7.864 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.266 4.578 7.449 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.172 6.104 7.477 1.00 0.00 C ATOM 1189 OE1 GLU A 77 0.438 6.617 8.440 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.712 6.724 6.536 1.00 0.00 O ATOM 0 H GLU A 77 2.568 1.972 7.745 1.00 0.00 H new ATOM 0 HA GLU A 77 1.264 3.514 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.867 3.019 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.596 4.609 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.536 4.245 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.059 4.247 8.119 1.00 0.00 H new ATOM 1197 N ASP A 78 4.010 4.776 7.056 1.00 0.00 N ATOM 1198 CA ASP A 78 5.015 5.811 6.883 1.00 0.00 C ATOM 1199 C ASP A 78 5.167 6.126 5.393 1.00 0.00 C ATOM 1200 O ASP A 78 5.277 7.289 5.009 1.00 0.00 O ATOM 1201 CB ASP A 78 6.376 5.352 7.410 1.00 0.00 C ATOM 1202 CG ASP A 78 6.340 4.656 8.772 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.950 3.468 8.793 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.704 5.327 9.762 1.00 0.00 O ATOM 0 H ASP A 78 4.245 4.065 7.749 1.00 0.00 H new ATOM 0 HA ASP A 78 4.691 6.691 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.820 4.672 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.033 6.219 7.479 1.00 0.00 H new ATOM 1209 N PHE A 79 5.167 5.068 4.595 1.00 0.00 N ATOM 1210 CA PHE A 79 5.303 5.217 3.156 1.00 0.00 C ATOM 1211 C PHE A 79 4.542 6.447 2.658 1.00 0.00 C ATOM 1212 O PHE A 79 5.082 7.249 1.898 1.00 0.00 O ATOM 1213 CB PHE A 79 4.699 3.965 2.518 1.00 0.00 C ATOM 1214 CG PHE A 79 4.455 4.089 1.013 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.509 4.207 0.161 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.185 4.082 0.526 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.283 4.322 -1.236 1.00 0.00 C ATOM 1218 CE2 PHE A 79 2.959 4.198 -0.871 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.013 4.315 -1.723 1.00 0.00 C ATOM 0 H PHE A 79 5.075 4.105 4.918 1.00 0.00 H new ATOM 0 HA PHE A 79 6.353 5.342 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.364 3.121 2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.754 3.738 3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.518 4.213 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.348 3.988 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.120 4.415 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.950 4.193 -1.257 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.841 4.402 -2.786 1.00 0.00 H new ATOM 1229 N LEU A 80 3.300 6.557 3.106 1.00 0.00 N ATOM 1230 CA LEU A 80 2.460 7.676 2.714 1.00 0.00 C ATOM 1231 C LEU A 80 3.074 8.976 3.236 1.00 0.00 C ATOM 1232 O LEU A 80 3.170 9.959 2.503 1.00 0.00 O ATOM 1233 CB LEU A 80 1.018 7.449 3.174 1.00 0.00 C ATOM 1234 CG LEU A 80 0.275 6.292 2.504 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.863 5.783 3.392 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.220 6.691 1.112 1.00 0.00 C ATOM 0 H LEU A 80 2.855 5.890 3.736 1.00 0.00 H new ATOM 0 HA LEU A 80 2.416 7.758 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.024 7.276 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.454 8.366 3.001 1.00 0.00 H new ATOM 0 HG LEU A 80 0.975 5.467 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.375 4.961 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.456 5.434 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.570 6.592 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.745 5.851 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.899 7.540 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.630 6.967 0.489 1.00 0.00 H new ATOM 1248 N GLN A 81 3.475 8.940 4.498 1.00 0.00 N ATOM 1249 CA GLN A 81 4.078 10.103 5.126 1.00 0.00 C ATOM 1250 C GLN A 81 5.331 10.531 4.359 1.00 0.00 C ATOM 1251 O GLN A 81 5.665 11.714 4.320 1.00 0.00 O ATOM 1252 CB GLN A 81 4.402 9.827 6.596 1.00 0.00 C ATOM 1253 CG GLN A 81 5.459 10.802 7.117 1.00 0.00 C ATOM 1254 CD GLN A 81 4.942 12.242 7.081 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.247 12.657 6.169 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.320 12.978 8.122 1.00 0.00 N ATOM 0 H GLN A 81 3.394 8.123 5.103 1.00 0.00 H new ATOM 0 HA GLN A 81 3.359 10.922 5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.495 9.914 7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.760 8.803 6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.733 10.536 8.138 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.363 10.721 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.903 12.568 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.027 13.953 8.191 1.00 0.00 H new ATOM 1265 N ASP A 82 5.990 9.545 3.769 1.00 0.00 N ATOM 1266 CA ASP A 82 7.199 9.804 3.006 1.00 0.00 C ATOM 1267 C ASP A 82 6.820 10.190 1.575 1.00 0.00 C ATOM 1268 O ASP A 82 7.137 11.288 1.120 1.00 0.00 O ATOM 1269 CB ASP A 82 8.087 8.560 2.941 1.00 0.00 C ATOM 1270 CG ASP A 82 9.357 8.626 3.792 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.219 8.944 4.993 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.436 8.356 3.222 1.00 0.00 O ATOM 0 H ASP A 82 5.710 8.565 3.804 1.00 0.00 H new ATOM 0 HA ASP A 82 7.743 10.609 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.501 7.697 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.372 8.389 1.903 1.00 0.00 H new ATOM 1277 N VAL A 83 6.147 9.266 0.905 1.00 0.00 N ATOM 1278 CA VAL A 83 5.722 9.496 -0.465 1.00 0.00 C ATOM 1279 C VAL A 83 5.122 10.899 -0.580 1.00 0.00 C ATOM 1280 O VAL A 83 5.247 11.549 -1.616 1.00 0.00 O ATOM 1281 CB VAL A 83 4.756 8.395 -0.905 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.308 8.780 -0.596 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.932 8.071 -2.390 1.00 0.00 C ATOM 0 H VAL A 83 5.886 8.357 1.286 1.00 0.00 H new ATOM 0 HA VAL A 83 6.575 9.451 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 83 4.992 7.496 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.642 7.980 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.194 8.936 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.055 9.699 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.233 7.285 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.736 8.964 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.952 7.732 -2.570 1.00 0.00 H new ATOM 1293 N SER A 84 4.483 11.324 0.500 1.00 0.00 N ATOM 1294 CA SER A 84 3.863 12.638 0.534 1.00 0.00 C ATOM 1295 C SER A 84 4.918 13.707 0.823 1.00 0.00 C ATOM 1296 O SER A 84 4.874 14.798 0.256 1.00 0.00 O ATOM 1297 CB SER A 84 2.749 12.695 1.582 1.00 0.00 C ATOM 1298 OG SER A 84 3.251 13.011 2.877 1.00 0.00 O ATOM 0 H SER A 84 4.381 10.782 1.358 1.00 0.00 H new ATOM 0 HA SER A 84 3.417 12.831 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.011 13.441 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.234 11.735 1.617 1.00 0.00 H new ATOM 0 HG SER A 84 3.971 12.388 3.110 1.00 0.00 H new ATOM 1304 N ALA A 85 5.843 13.358 1.704 1.00 0.00 N ATOM 1305 CA ALA A 85 6.908 14.274 2.075 1.00 0.00 C ATOM 1306 C ALA A 85 8.252 13.546 1.999 1.00 0.00 C ATOM 1307 O ALA A 85 8.870 13.266 3.025 1.00 0.00 O ATOM 1308 CB ALA A 85 6.632 14.841 3.469 1.00 0.00 C ATOM 0 H ALA A 85 5.877 12.453 2.172 1.00 0.00 H new ATOM 0 HA ALA A 85 6.948 15.115 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.431 15.528 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.681 15.374 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.587 14.026 4.191 1.00 0.00 H new ATOM 1314 N SER A 86 8.664 13.259 0.772 1.00 0.00 N ATOM 1315 CA SER A 86 9.923 12.569 0.548 1.00 0.00 C ATOM 1316 C SER A 86 10.265 12.575 -0.943 1.00 0.00 C ATOM 1317 O SER A 86 9.491 12.083 -1.763 1.00 0.00 O ATOM 1318 CB SER A 86 9.865 11.133 1.074 1.00 0.00 C ATOM 1319 OG SER A 86 11.152 10.648 1.445 1.00 0.00 O ATOM 0 H SER A 86 8.148 13.492 -0.077 1.00 0.00 H new ATOM 0 HA SER A 86 10.704 13.096 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.199 11.089 1.936 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.440 10.484 0.309 1.00 0.00 H new ATOM 0 HG SER A 86 11.052 9.878 2.043 1.00 0.00 H new ATOM 1325 N THR A 87 11.425 13.137 -1.249 1.00 0.00 N ATOM 1326 CA THR A 87 11.879 13.214 -2.627 1.00 0.00 C ATOM 1327 C THR A 87 12.638 11.942 -3.010 1.00 0.00 C ATOM 1328 O THR A 87 13.689 12.010 -3.646 1.00 0.00 O ATOM 1329 CB THR A 87 12.711 14.488 -2.781 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.717 14.368 -1.779 1.00 0.00 O ATOM 1331 CG2 THR A 87 11.936 15.745 -2.382 1.00 0.00 C ATOM 0 H THR A 87 12.064 13.543 -0.566 1.00 0.00 H new ATOM 0 HA THR A 87 11.038 13.273 -3.318 1.00 0.00 H new ATOM 0 HB THR A 87 13.045 14.581 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.304 15.152 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.572 16.621 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.052 15.843 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.630 15.668 -1.339 1.00 0.00 H new ATOM 1339 N LYS A 88 12.077 10.812 -2.606 1.00 0.00 N ATOM 1340 CA LYS A 88 12.689 9.526 -2.899 1.00 0.00 C ATOM 1341 C LYS A 88 11.832 8.780 -3.923 1.00 0.00 C ATOM 1342 O LYS A 88 10.605 8.862 -3.888 1.00 0.00 O ATOM 1343 CB LYS A 88 12.928 8.741 -1.608 1.00 0.00 C ATOM 1344 CG LYS A 88 13.892 9.486 -0.683 1.00 0.00 C ATOM 1345 CD LYS A 88 15.105 8.619 -0.340 1.00 0.00 C ATOM 1346 CE LYS A 88 14.992 8.055 1.079 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.287 7.486 1.514 1.00 0.00 N ATOM 0 H LYS A 88 11.206 10.760 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 88 13.673 9.665 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.979 8.579 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.334 7.758 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.223 10.407 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.375 9.772 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.185 7.800 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.016 9.211 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.685 8.843 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.221 7.285 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.194 7.108 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.565 6.720 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.014 8.229 1.503 1.00 0.00 H new ATOM 1361 N SER A 89 12.511 8.069 -4.810 1.00 0.00 N ATOM 1362 CA SER A 89 11.827 7.308 -5.842 1.00 0.00 C ATOM 1363 C SER A 89 11.002 6.188 -5.206 1.00 0.00 C ATOM 1364 O SER A 89 11.428 5.577 -4.227 1.00 0.00 O ATOM 1365 CB SER A 89 12.822 6.728 -6.849 1.00 0.00 C ATOM 1366 OG SER A 89 13.849 7.659 -7.182 1.00 0.00 O ATOM 0 H SER A 89 13.529 8.003 -4.836 1.00 0.00 H new ATOM 0 HA SER A 89 11.160 7.982 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.271 5.825 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.291 6.434 -7.755 1.00 0.00 H new ATOM 0 HG SER A 89 14.465 7.250 -7.826 1.00 0.00 H new ATOM 1372 N LEU A 90 9.835 5.952 -5.789 1.00 0.00 N ATOM 1373 CA LEU A 90 8.946 4.916 -5.291 1.00 0.00 C ATOM 1374 C LEU A 90 9.766 3.674 -4.937 1.00 0.00 C ATOM 1375 O LEU A 90 9.770 3.236 -3.788 1.00 0.00 O ATOM 1376 CB LEU A 90 7.823 4.647 -6.295 1.00 0.00 C ATOM 1377 CG LEU A 90 6.536 5.448 -6.093 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.025 5.312 -4.657 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.732 6.911 -6.495 1.00 0.00 C ATOM 0 H LEU A 90 9.485 6.460 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 90 8.452 5.244 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.201 4.852 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.576 3.586 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 90 5.770 5.034 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.109 5.891 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.821 4.263 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.780 5.685 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.802 7.458 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.519 7.354 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.015 6.965 -7.546 1.00 0.00 H new ATOM 1391 N GLN A 91 10.440 3.142 -5.946 1.00 0.00 N ATOM 1392 CA GLN A 91 11.262 1.958 -5.755 1.00 0.00 C ATOM 1393 C GLN A 91 12.067 2.074 -4.459 1.00 0.00 C ATOM 1394 O GLN A 91 12.248 1.088 -3.746 1.00 0.00 O ATOM 1395 CB GLN A 91 12.184 1.732 -6.954 1.00 0.00 C ATOM 1396 CG GLN A 91 11.739 0.513 -7.765 1.00 0.00 C ATOM 1397 CD GLN A 91 12.687 0.260 -8.939 1.00 0.00 C ATOM 1398 OE1 GLN A 91 13.641 -0.495 -8.849 1.00 0.00 O ATOM 1399 NE2 GLN A 91 12.371 0.931 -10.043 1.00 0.00 N ATOM 0 H GLN A 91 10.434 3.508 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 91 10.605 1.092 -5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.183 2.617 -7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.208 1.589 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.709 -0.366 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.727 0.669 -8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.558 1.547 -10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.942 0.829 -10.882 1.00 0.00 H new ATOM 1408 N GLU A 92 12.528 3.288 -4.193 1.00 0.00 N ATOM 1409 CA GLU A 92 13.310 3.545 -2.995 1.00 0.00 C ATOM 1410 C GLU A 92 12.394 3.631 -1.772 1.00 0.00 C ATOM 1411 O GLU A 92 12.634 2.966 -0.766 1.00 0.00 O ATOM 1412 CB GLU A 92 14.142 4.820 -3.147 1.00 0.00 C ATOM 1413 CG GLU A 92 15.181 4.667 -4.260 1.00 0.00 C ATOM 1414 CD GLU A 92 16.536 4.243 -3.689 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.677 3.035 -3.400 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.400 5.136 -3.556 1.00 0.00 O ATOM 0 H GLU A 92 12.375 4.104 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 92 14.001 2.714 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.487 5.662 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.643 5.046 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.839 3.926 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.287 5.610 -4.796 1.00 0.00 H new ATOM 1423 N LEU A 93 11.364 4.455 -1.900 1.00 0.00 N ATOM 1424 CA LEU A 93 10.412 4.636 -0.818 1.00 0.00 C ATOM 1425 C LEU A 93 9.924 3.267 -0.340 1.00 0.00 C ATOM 1426 O LEU A 93 9.921 2.988 0.858 1.00 0.00 O ATOM 1427 CB LEU A 93 9.284 5.575 -1.248 1.00 0.00 C ATOM 1428 CG LEU A 93 9.604 7.071 -1.207 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.397 7.902 -1.647 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.111 7.485 0.176 1.00 0.00 C ATOM 0 H LEU A 93 11.168 5.005 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 93 10.891 5.120 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.989 5.315 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.421 5.391 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 93 10.407 7.268 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.651 8.961 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.121 7.632 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.558 7.706 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.331 8.553 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.347 7.271 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.017 6.927 0.413 1.00 0.00 H new ATOM 1442 N PHE A 94 9.521 2.449 -1.302 1.00 0.00 N ATOM 1443 CA PHE A 94 9.032 1.116 -0.994 1.00 0.00 C ATOM 1444 C PHE A 94 10.039 0.346 -0.137 1.00 0.00 C ATOM 1445 O PHE A 94 9.695 -0.155 0.933 1.00 0.00 O ATOM 1446 CB PHE A 94 8.852 0.387 -2.327 1.00 0.00 C ATOM 1447 CG PHE A 94 7.758 0.980 -3.217 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.646 1.526 -2.656 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.898 0.960 -4.570 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.631 2.076 -3.483 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.883 1.511 -5.397 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.771 2.057 -4.836 1.00 0.00 C ATOM 0 H PHE A 94 9.523 2.684 -2.295 1.00 0.00 H new ATOM 0 HA PHE A 94 8.098 1.182 -0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.797 0.405 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.618 -0.659 -2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.535 1.541 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.781 0.525 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.748 2.509 -3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.994 1.496 -6.471 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.999 2.476 -5.465 1.00 0.00 H new ATOM 1462 N LEU A 95 11.263 0.275 -0.640 1.00 0.00 N ATOM 1463 CA LEU A 95 12.322 -0.425 0.066 1.00 0.00 C ATOM 1464 C LEU A 95 12.644 0.319 1.364 1.00 0.00 C ATOM 1465 O LEU A 95 13.071 -0.289 2.343 1.00 0.00 O ATOM 1466 CB LEU A 95 13.535 -0.622 -0.846 1.00 0.00 C ATOM 1467 CG LEU A 95 13.560 -1.920 -1.657 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.202 -1.697 -3.028 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.250 -3.041 -0.876 1.00 0.00 C ATOM 0 H LEU A 95 11.544 0.691 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 95 11.995 -1.427 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.584 0.218 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.436 -0.582 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 95 12.531 -2.235 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.207 -2.634 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.631 -0.951 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.226 -1.347 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.254 -3.952 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.276 -2.750 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.712 -3.221 0.055 1.00 0.00 H new ATOM 1481 N ALA A 96 12.425 1.626 1.328 1.00 0.00 N ATOM 1482 CA ALA A 96 12.686 2.460 2.489 1.00 0.00 C ATOM 1483 C ALA A 96 11.554 2.284 3.503 1.00 0.00 C ATOM 1484 O ALA A 96 11.609 2.833 4.602 1.00 0.00 O ATOM 1485 CB ALA A 96 12.852 3.915 2.046 1.00 0.00 C ATOM 0 H ALA A 96 12.070 2.127 0.514 1.00 0.00 H new ATOM 0 HA ALA A 96 13.614 2.160 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.048 4.540 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.687 3.990 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.939 4.252 1.555 1.00 0.00 H new ATOM 1491 N HIS A 97 10.553 1.517 3.097 1.00 0.00 N ATOM 1492 CA HIS A 97 9.409 1.263 3.956 1.00 0.00 C ATOM 1493 C HIS A 97 8.797 -0.095 3.607 1.00 0.00 C ATOM 1494 O HIS A 97 7.580 -0.264 3.661 1.00 0.00 O ATOM 1495 CB HIS A 97 8.399 2.409 3.869 1.00 0.00 C ATOM 1496 CG HIS A 97 8.982 3.767 4.177 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.290 4.176 5.463 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.312 4.803 3.354 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.781 5.405 5.404 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.793 5.792 4.096 1.00 0.00 N ATOM 0 H HIS A 97 10.510 1.063 2.185 1.00 0.00 H new ATOM 0 HA HIS A 97 9.733 1.220 4.996 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.972 2.427 2.866 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.580 2.211 4.561 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.161 3.625 6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.201 4.816 2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.113 5.997 6.244 1.00 0.00 H new ATOM 1508 N ILE A 98 9.669 -1.029 3.256 1.00 0.00 N ATOM 1509 CA ILE A 98 9.229 -2.367 2.897 1.00 0.00 C ATOM 1510 C ILE A 98 9.097 -3.212 4.166 1.00 0.00 C ATOM 1511 O ILE A 98 10.066 -3.387 4.903 1.00 0.00 O ATOM 1512 CB ILE A 98 10.162 -2.974 1.848 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.546 -4.229 1.227 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.547 -3.247 2.438 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.165 -3.987 -0.235 1.00 0.00 C ATOM 0 H ILE A 98 10.678 -0.886 3.213 1.00 0.00 H new ATOM 0 HA ILE A 98 8.244 -2.333 2.432 1.00 0.00 H new ATOM 0 HB ILE A 98 10.292 -2.248 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.254 -5.055 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.662 -4.523 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.191 -3.678 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.982 -2.313 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.457 -3.945 3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.729 -4.895 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.439 -3.176 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.055 -3.717 -0.803 1.00 0.00 H new ATOM 1527 N LEU A 99 7.890 -3.714 4.381 1.00 0.00 N ATOM 1528 CA LEU A 99 7.619 -4.537 5.547 1.00 0.00 C ATOM 1529 C LEU A 99 7.759 -6.012 5.169 1.00 0.00 C ATOM 1530 O LEU A 99 8.056 -6.850 6.020 1.00 0.00 O ATOM 1531 CB LEU A 99 6.257 -4.183 6.148 1.00 0.00 C ATOM 1532 CG LEU A 99 6.140 -2.791 6.773 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.831 -2.647 7.552 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.361 -2.476 7.640 1.00 0.00 C ATOM 0 H LEU A 99 7.089 -3.567 3.767 1.00 0.00 H new ATOM 0 HA LEU A 99 8.349 -4.338 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.503 -4.273 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.015 -4.923 6.911 1.00 0.00 H new ATOM 0 HG LEU A 99 6.117 -2.056 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.774 -1.649 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.988 -2.799 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.798 -3.391 8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.253 -1.481 8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.439 -3.213 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.261 -2.509 7.026 1.00 0.00 H new ATOM 1546 N SER A 100 7.539 -6.286 3.892 1.00 0.00 N ATOM 1547 CA SER A 100 7.637 -7.646 3.390 1.00 0.00 C ATOM 1548 C SER A 100 8.998 -7.861 2.724 1.00 0.00 C ATOM 1549 O SER A 100 9.752 -6.911 2.523 1.00 0.00 O ATOM 1550 CB SER A 100 6.509 -7.953 2.404 1.00 0.00 C ATOM 1551 OG SER A 100 6.521 -7.067 1.287 1.00 0.00 O ATOM 0 H SER A 100 7.293 -5.589 3.189 1.00 0.00 H new ATOM 0 HA SER A 100 7.540 -8.329 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.604 -8.981 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.550 -7.878 2.916 1.00 0.00 H new ATOM 0 HG SER A 100 6.106 -7.507 0.516 1.00 0.00 H new ATOM 1557 N SER A 101 9.270 -9.117 2.399 1.00 0.00 N ATOM 1558 CA SER A 101 10.526 -9.469 1.759 1.00 0.00 C ATOM 1559 C SER A 101 10.292 -9.773 0.278 1.00 0.00 C ATOM 1560 O SER A 101 11.223 -10.139 -0.439 1.00 0.00 O ATOM 1561 CB SER A 101 11.180 -10.667 2.451 1.00 0.00 C ATOM 1562 OG SER A 101 12.591 -10.510 2.569 1.00 0.00 O ATOM 0 H SER A 101 8.642 -9.903 2.567 1.00 0.00 H new ATOM 0 HA SER A 101 11.204 -8.620 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.745 -10.795 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.962 -11.574 1.888 1.00 0.00 H new ATOM 0 HG SER A 101 12.971 -11.294 3.017 1.00 0.00 H new ATOM 1568 N TRP A 102 9.044 -9.611 -0.136 1.00 0.00 N ATOM 1569 CA TRP A 102 8.676 -9.864 -1.519 1.00 0.00 C ATOM 1570 C TRP A 102 8.233 -8.538 -2.141 1.00 0.00 C ATOM 1571 O TRP A 102 8.467 -7.473 -1.571 1.00 0.00 O ATOM 1572 CB TRP A 102 7.607 -10.954 -1.611 1.00 0.00 C ATOM 1573 CG TRP A 102 6.212 -10.495 -1.181 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.283 -9.874 -1.921 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.621 -10.648 0.127 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.142 -9.616 -1.189 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.355 -10.102 0.096 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.141 -11.229 1.297 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.501 -10.082 1.206 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.276 -11.201 2.397 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.997 -10.655 2.383 1.00 0.00 C ATOM 0 H TRP A 102 8.275 -9.308 0.462 1.00 0.00 H new ATOM 0 HA TRP A 102 9.529 -10.244 -2.081 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.559 -11.316 -2.638 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.908 -11.798 -0.990 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.411 -9.609 -2.960 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.298 -9.154 -1.528 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.129 -11.662 1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.513 -9.648 1.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.627 -11.634 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.389 -10.673 3.276 1.00 0.00 H new ATOM 1592 N GLY A 103 7.602 -8.647 -3.301 1.00 0.00 N ATOM 1593 CA GLY A 103 7.124 -7.469 -4.006 1.00 0.00 C ATOM 1594 C GLY A 103 8.227 -6.870 -4.881 1.00 0.00 C ATOM 1595 O GLY A 103 8.695 -5.761 -4.623 1.00 0.00 O ATOM 0 H GLY A 103 7.411 -9.532 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.267 -7.734 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.780 -6.725 -3.287 1.00 0.00 H new