USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 957 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 109 MET CE :methyl -120:sc= -3.51! (180deg=-5.49!) USER MOD Set 1.2: A 145 MET CE :methyl 178:sc= -5.96! (180deg=-5.75!) USER MOD Set 2.1: A 101 SER OG : rot 180:sc= 0.549 USER MOD Set 2.2: A 135 GLN : amide:sc= 0.698 X(o=1.2,f=1.5) USER MOD Set 3.1: A 26 THR OG1 : rot -150:sc= 1.1 USER MOD Set 3.2: A 62 THR OG1 : rot 128:sc= 1.16 USER MOD Set 4.1: A 36 MET CE :methyl 140:sc= -0.944 (180deg=-4.88!) USER MOD Set 4.2: A 72 MET CE :methyl 144:sc= -0.183 (180deg=-1.49) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -35:sc= 0.1 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00822 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00273) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.111 USER MOD Single : A 38 SER OG : rot 88:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.045) USER MOD Single : A 44 THR OG1 : rot 146:sc= 1.25 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 153:sc= -5.67! (180deg=-6.64!) USER MOD Single : A 53 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.0066) USER MOD Single : A 70 THR OG1 : rot 9:sc= 0.779 USER MOD Single : A 71 MET CE :methyl -160:sc= -5.71! (180deg=-6.29!) USER MOD Single : A 81 SER OG : rot 27:sc= 0.06 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0119 (180deg=-0.168) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.121 F(o=-0.53,f=0.12) USER MOD Single : A 110 THR OG1 : rot 122:sc= 0.866 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= -3.21! (180deg=-3.31!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -108:sc= -4.83! (180deg=-7.97!) USER MOD Single : A 137 ASN : amide:sc= -0.861 K(o=-0.86,f=-4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.00066) USER MOD Single : A 144 MET CE :methyl -152:sc= -0.753 (180deg=-3.88!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -149:sc= 0.0115 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 2.107 14.051 -11.802 1.00 3.51 N ATOM 91 CA GLU A 7 1.121 15.060 -12.199 1.00 3.59 C ATOM 92 C GLU A 7 -0.072 15.135 -11.251 1.00 3.35 C ATOM 93 O GLU A 7 -0.792 16.138 -11.256 1.00 3.38 O ATOM 94 CB GLU A 7 0.638 14.812 -13.632 1.00 3.93 C ATOM 95 CG GLU A 7 1.666 15.160 -14.699 1.00 4.45 C ATOM 96 CD GLU A 7 1.156 14.907 -16.104 1.00 5.14 C ATOM 97 OE1 GLU A 7 0.569 15.836 -16.698 1.00 5.54 O ATOM 98 OE2 GLU A 7 1.344 13.781 -16.610 1.00 5.58 O ATOM 0 HA GLU A 7 1.631 16.022 -12.148 1.00 3.59 H new ATOM 0 HB2 GLU A 7 0.363 13.762 -13.735 1.00 3.93 H new ATOM 0 HB3 GLU A 7 -0.265 15.397 -13.807 1.00 3.93 H new ATOM 0 HG2 GLU A 7 1.945 16.209 -14.601 1.00 4.45 H new ATOM 0 HG3 GLU A 7 2.569 14.573 -14.533 1.00 4.45 H new ATOM 105 N GLN A 8 -0.302 14.079 -10.450 1.00 3.16 N ATOM 106 CA GLN A 8 -1.400 14.086 -9.478 1.00 2.96 C ATOM 107 C GLN A 8 -1.188 15.201 -8.481 1.00 2.69 C ATOM 108 O GLN A 8 -2.141 15.830 -8.033 1.00 2.63 O ATOM 109 CB GLN A 8 -1.551 12.734 -8.774 1.00 2.87 C ATOM 110 CG GLN A 8 -2.137 11.642 -9.658 1.00 3.23 C ATOM 111 CD GLN A 8 -2.322 10.331 -8.919 1.00 3.13 C ATOM 112 OE1 GLN A 8 -3.375 10.078 -8.335 1.00 3.27 O ATOM 113 NE2 GLN A 8 -1.295 9.489 -8.942 1.00 3.29 N ATOM 0 H GLN A 8 0.252 13.223 -10.459 1.00 3.16 H new ATOM 0 HA GLN A 8 -2.331 14.262 -10.016 1.00 2.96 H new ATOM 0 HB2 GLN A 8 -0.574 12.412 -8.414 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -2.188 12.860 -7.898 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -3.099 11.973 -10.049 1.00 3.23 H new ATOM 0 HG3 GLN A 8 -1.482 11.483 -10.515 1.00 3.23 H new ATOM 0 HE21 GLN A 8 -0.440 9.740 -9.439 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -1.361 8.591 -8.463 1.00 3.29 H new ATOM 122 N ILE A 9 0.081 15.424 -8.150 1.00 2.59 N ATOM 123 CA ILE A 9 0.497 16.522 -7.302 1.00 2.41 C ATOM 124 C ILE A 9 0.014 17.828 -7.929 1.00 2.64 C ATOM 125 O ILE A 9 -0.533 18.685 -7.237 1.00 2.55 O ATOM 126 CB ILE A 9 2.033 16.491 -7.140 1.00 2.42 C ATOM 127 CG1 ILE A 9 2.397 15.384 -6.153 1.00 2.20 C ATOM 128 CG2 ILE A 9 2.600 17.845 -6.726 1.00 2.45 C ATOM 129 CD1 ILE A 9 2.639 14.051 -6.823 1.00 2.35 C ATOM 0 H ILE A 9 0.852 14.838 -8.469 1.00 2.59 H new ATOM 0 HA ILE A 9 0.061 16.436 -6.307 1.00 2.41 H new ATOM 0 HB ILE A 9 2.489 16.274 -8.106 1.00 2.42 H new ATOM 0 HG12 ILE A 9 3.292 15.675 -5.603 1.00 2.20 H new ATOM 0 HG13 ILE A 9 1.594 15.277 -5.423 1.00 2.20 H new ATOM 0 HG21 ILE A 9 3.683 17.771 -6.625 1.00 2.45 H new ATOM 0 HG22 ILE A 9 2.356 18.589 -7.485 1.00 2.45 H new ATOM 0 HG23 ILE A 9 2.167 18.145 -5.772 1.00 2.45 H new ATOM 0 HD11 ILE A 9 2.893 13.306 -6.069 1.00 2.35 H new ATOM 0 HD12 ILE A 9 1.737 13.740 -7.351 1.00 2.35 H new ATOM 0 HD13 ILE A 9 3.461 14.144 -7.533 1.00 2.35 H new ATOM 141 N ALA A 10 0.223 17.954 -9.258 1.00 2.97 N ATOM 142 CA ALA A 10 -0.266 19.111 -10.020 1.00 3.26 C ATOM 143 C ALA A 10 -1.775 19.265 -9.859 1.00 3.27 C ATOM 144 O ALA A 10 -2.305 20.377 -9.944 1.00 3.43 O ATOM 145 CB ALA A 10 0.121 19.006 -11.488 1.00 3.61 C ATOM 0 H ALA A 10 0.727 17.267 -9.819 1.00 2.97 H new ATOM 0 HA ALA A 10 0.210 20.005 -9.617 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -0.255 19.876 -12.026 1.00 3.61 H new ATOM 0 HB2 ALA A 10 1.207 18.965 -11.576 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -0.312 18.101 -11.914 1.00 3.61 H new ATOM 151 N GLU A 11 -2.456 18.134 -9.626 1.00 3.14 N ATOM 152 CA GLU A 11 -3.894 18.136 -9.365 1.00 3.18 C ATOM 153 C GLU A 11 -4.147 18.427 -7.899 1.00 2.87 C ATOM 154 O GLU A 11 -5.165 19.021 -7.532 1.00 2.94 O ATOM 155 CB GLU A 11 -4.507 16.792 -9.713 1.00 3.24 C ATOM 156 CG GLU A 11 -5.306 16.796 -11.004 1.00 3.63 C ATOM 157 CD GLU A 11 -5.920 15.445 -11.317 1.00 3.78 C ATOM 158 OE1 GLU A 11 -5.268 14.646 -12.021 1.00 4.13 O ATOM 159 OE2 GLU A 11 -7.052 15.186 -10.856 1.00 3.90 O ATOM 0 H GLU A 11 -2.029 17.208 -9.614 1.00 3.14 H new ATOM 0 HA GLU A 11 -4.352 18.907 -9.985 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -3.712 16.051 -9.792 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -5.157 16.478 -8.896 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -6.097 17.543 -10.934 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -4.657 17.095 -11.827 1.00 3.63 H new ATOM 166 N PHE A 12 -3.194 17.992 -7.076 1.00 2.56 N ATOM 167 CA PHE A 12 -3.249 18.191 -5.634 1.00 2.24 C ATOM 168 C PHE A 12 -3.065 19.671 -5.266 1.00 2.30 C ATOM 169 O PHE A 12 -3.735 20.163 -4.354 1.00 2.22 O ATOM 170 CB PHE A 12 -2.177 17.345 -4.934 1.00 1.94 C ATOM 171 CG PHE A 12 -2.427 15.843 -4.910 1.00 1.85 C ATOM 172 CD1 PHE A 12 -3.521 15.256 -5.548 1.00 2.28 C ATOM 173 CD2 PHE A 12 -1.557 15.013 -4.213 1.00 2.07 C ATOM 174 CE1 PHE A 12 -3.728 13.897 -5.477 1.00 2.34 C ATOM 175 CE2 PHE A 12 -1.768 13.651 -4.151 1.00 2.03 C ATOM 176 CZ PHE A 12 -2.866 13.096 -4.786 1.00 1.90 C ATOM 0 H PHE A 12 -2.363 17.492 -7.393 1.00 2.56 H new ATOM 0 HA PHE A 12 -4.235 17.874 -5.295 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -1.221 17.527 -5.424 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -2.080 17.694 -3.906 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -4.212 15.874 -6.103 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -0.702 15.441 -3.712 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -4.582 13.460 -5.973 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -1.079 13.020 -3.609 1.00 2.03 H new ATOM 0 HZ PHE A 12 -3.040 12.031 -4.735 1.00 1.90 H new ATOM 186 N LYS A 13 -2.153 20.384 -5.977 1.00 2.51 N ATOM 187 CA LYS A 13 -1.919 21.816 -5.703 1.00 2.67 C ATOM 188 C LYS A 13 -3.038 22.686 -6.261 1.00 2.96 C ATOM 189 O LYS A 13 -3.199 23.828 -5.836 1.00 3.07 O ATOM 190 CB LYS A 13 -0.548 22.316 -6.202 1.00 2.86 C ATOM 191 CG LYS A 13 -0.074 21.736 -7.538 1.00 3.04 C ATOM 192 CD LYS A 13 1.276 21.029 -7.400 1.00 2.93 C ATOM 193 CE LYS A 13 2.448 22.008 -7.326 1.00 3.15 C ATOM 194 NZ LYS A 13 3.753 21.304 -7.189 1.00 3.58 N ATOM 0 H LYS A 13 -1.581 19.996 -6.728 1.00 2.51 H new ATOM 0 HA LYS A 13 -1.914 21.908 -4.617 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -0.589 23.401 -6.293 1.00 2.86 H new ATOM 0 HB3 LYS A 13 0.200 22.088 -5.442 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -0.817 21.032 -7.913 1.00 3.04 H new ATOM 0 HG3 LYS A 13 0.008 22.536 -8.274 1.00 3.04 H new ATOM 0 HD2 LYS A 13 1.268 20.410 -6.503 1.00 2.93 H new ATOM 0 HD3 LYS A 13 1.420 20.360 -8.248 1.00 2.93 H new ATOM 0 HE2 LYS A 13 2.462 22.626 -8.224 1.00 3.15 H new ATOM 0 HE3 LYS A 13 2.307 22.679 -6.479 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 4.521 22.003 -7.142 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 3.750 20.734 -6.319 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 3.900 20.682 -8.010 1.00 3.58 H new ATOM 208 N GLU A 14 -3.802 22.150 -7.223 1.00 3.12 N ATOM 209 CA GLU A 14 -4.943 22.878 -7.783 1.00 3.43 C ATOM 210 C GLU A 14 -6.102 22.875 -6.777 1.00 3.34 C ATOM 211 O GLU A 14 -6.912 23.806 -6.740 1.00 3.56 O ATOM 212 CB GLU A 14 -5.393 22.251 -9.106 1.00 3.67 C ATOM 213 CG GLU A 14 -4.462 22.544 -10.273 1.00 4.07 C ATOM 214 CD GLU A 14 -4.931 21.909 -11.567 1.00 4.36 C ATOM 215 OE1 GLU A 14 -4.570 20.740 -11.820 1.00 4.71 O ATOM 216 OE2 GLU A 14 -5.659 22.581 -12.328 1.00 4.52 O ATOM 0 H GLU A 14 -3.651 21.225 -7.624 1.00 3.12 H new ATOM 0 HA GLU A 14 -4.638 23.906 -7.980 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -5.471 21.171 -8.978 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -6.391 22.616 -9.349 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -4.385 23.623 -10.409 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -3.462 22.180 -10.036 1.00 4.07 H new ATOM 223 N ALA A 15 -6.156 21.804 -5.966 1.00 3.04 N ATOM 224 CA ALA A 15 -7.189 21.627 -4.945 1.00 2.97 C ATOM 225 C ALA A 15 -6.816 22.249 -3.602 1.00 2.76 C ATOM 226 O ALA A 15 -7.511 23.142 -3.123 1.00 2.91 O ATOM 227 CB ALA A 15 -7.506 20.138 -4.771 1.00 2.84 C ATOM 0 H ALA A 15 -5.482 21.040 -6.005 1.00 3.04 H new ATOM 0 HA ALA A 15 -8.075 22.155 -5.297 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -8.276 20.017 -4.009 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -7.863 19.729 -5.716 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -6.605 19.608 -4.464 1.00 2.84 H new ATOM 233 N PHE A 16 -5.727 21.757 -2.987 1.00 2.45 N ATOM 234 CA PHE A 16 -5.253 22.257 -1.684 1.00 2.28 C ATOM 235 C PHE A 16 -5.190 23.781 -1.664 1.00 2.56 C ATOM 236 O PHE A 16 -5.582 24.419 -0.686 1.00 2.60 O ATOM 237 CB PHE A 16 -3.859 21.687 -1.402 1.00 2.02 C ATOM 238 CG PHE A 16 -3.321 21.898 0.000 1.00 1.86 C ATOM 239 CD1 PHE A 16 -3.001 23.171 0.474 1.00 2.18 C ATOM 240 CD2 PHE A 16 -3.095 20.806 0.824 1.00 2.17 C ATOM 241 CE1 PHE A 16 -2.476 23.329 1.746 1.00 2.21 C ATOM 242 CE2 PHE A 16 -2.578 20.964 2.085 1.00 2.07 C ATOM 243 CZ PHE A 16 -2.271 22.218 2.549 1.00 1.79 C ATOM 0 H PHE A 16 -5.154 21.007 -3.375 1.00 2.45 H new ATOM 0 HA PHE A 16 -5.957 21.935 -0.916 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -3.879 20.616 -1.604 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -3.158 22.131 -2.109 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -3.163 24.035 -0.153 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -3.330 19.814 0.467 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -2.227 24.315 2.111 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -2.413 20.101 2.713 1.00 2.07 H new ATOM 0 HZ PHE A 16 -1.868 22.340 3.544 1.00 1.79 H new ATOM 253 N SER A 17 -4.707 24.342 -2.767 1.00 2.80 N ATOM 254 CA SER A 17 -4.556 25.770 -2.905 1.00 3.11 C ATOM 255 C SER A 17 -5.889 26.498 -3.023 1.00 3.36 C ATOM 256 O SER A 17 -5.946 27.712 -2.807 1.00 3.59 O ATOM 257 CB SER A 17 -3.666 26.101 -4.098 1.00 3.33 C ATOM 258 OG SER A 17 -3.326 27.478 -4.133 1.00 3.30 O ATOM 0 H SER A 17 -4.411 23.812 -3.586 1.00 2.80 H new ATOM 0 HA SER A 17 -4.082 26.123 -1.989 1.00 3.11 H new ATOM 0 HB2 SER A 17 -2.756 25.503 -4.050 1.00 3.33 H new ATOM 0 HB3 SER A 17 -4.178 25.829 -5.021 1.00 3.33 H new ATOM 0 HG SER A 17 -4.079 28.009 -3.799 1.00 3.30 H new ATOM 264 N LEU A 18 -6.961 25.772 -3.378 1.00 3.35 N ATOM 265 CA LEU A 18 -8.267 26.391 -3.506 1.00 3.63 C ATOM 266 C LEU A 18 -8.797 26.777 -2.127 1.00 3.56 C ATOM 267 O LEU A 18 -9.707 27.599 -1.982 1.00 3.81 O ATOM 268 CB LEU A 18 -9.221 25.478 -4.286 1.00 3.72 C ATOM 269 CG LEU A 18 -10.071 24.542 -3.444 1.00 3.54 C ATOM 270 CD1 LEU A 18 -11.410 25.182 -3.094 1.00 3.79 C ATOM 271 CD2 LEU A 18 -10.286 23.202 -4.133 1.00 3.53 C ATOM 0 H LEU A 18 -6.940 24.772 -3.576 1.00 3.35 H new ATOM 0 HA LEU A 18 -8.184 27.312 -4.084 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -9.884 26.103 -4.884 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -8.634 24.879 -4.982 1.00 3.72 H new ATOM 0 HG LEU A 18 -9.524 24.357 -2.519 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -11.998 24.490 -2.491 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -11.239 26.099 -2.530 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -11.952 25.415 -4.010 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -10.898 22.561 -3.499 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -10.792 23.360 -5.086 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -9.322 22.724 -4.309 1.00 3.53 H new ATOM 283 N PHE A 19 -8.186 26.147 -1.147 1.00 3.24 N ATOM 284 CA PHE A 19 -8.483 26.364 0.263 1.00 3.16 C ATOM 285 C PHE A 19 -7.250 26.952 0.951 1.00 3.11 C ATOM 286 O PHE A 19 -7.222 27.112 2.175 1.00 3.07 O ATOM 287 CB PHE A 19 -8.847 25.040 0.943 1.00 2.89 C ATOM 288 CG PHE A 19 -10.031 24.310 0.356 1.00 3.01 C ATOM 289 CD1 PHE A 19 -11.326 24.788 0.519 1.00 3.31 C ATOM 290 CD2 PHE A 19 -9.844 23.130 -0.347 1.00 3.27 C ATOM 291 CE1 PHE A 19 -12.404 24.103 -0.010 1.00 3.50 C ATOM 292 CE2 PHE A 19 -10.918 22.444 -0.877 1.00 3.41 C ATOM 293 CZ PHE A 19 -12.199 22.929 -0.709 1.00 3.37 C ATOM 0 H PHE A 19 -7.454 25.455 -1.305 1.00 3.24 H new ATOM 0 HA PHE A 19 -9.326 27.050 0.344 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -7.980 24.381 0.903 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -9.049 25.236 1.996 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -11.492 25.705 1.065 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -8.845 22.742 -0.482 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -13.405 24.485 0.123 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -10.756 21.527 -1.424 1.00 3.41 H new ATOM 0 HZ PHE A 19 -13.040 22.392 -1.123 1.00 3.37 H new ATOM 303 N ALA A 20 -6.232 27.275 0.133 1.00 3.18 N ATOM 304 CA ALA A 20 -4.938 27.820 0.625 1.00 3.22 C ATOM 305 C ALA A 20 -5.074 29.015 1.583 1.00 3.51 C ATOM 306 O ALA A 20 -5.866 29.932 1.347 1.00 3.80 O ATOM 307 CB ALA A 20 -4.046 28.214 -0.542 1.00 3.38 C ATOM 0 H ALA A 20 -6.274 27.170 -0.881 1.00 3.18 H new ATOM 0 HA ALA A 20 -4.489 27.010 1.199 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -3.104 28.610 -0.162 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -3.848 27.339 -1.161 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -4.545 28.976 -1.141 1.00 3.38 H new ATOM 354 N ASP A 24 1.479 29.634 6.491 1.00 3.98 N ATOM 355 CA ASP A 24 2.429 28.660 5.917 1.00 3.89 C ATOM 356 C ASP A 24 1.898 28.066 4.605 1.00 3.62 C ATOM 357 O ASP A 24 2.644 27.440 3.846 1.00 3.56 O ATOM 358 CB ASP A 24 2.710 27.535 6.919 1.00 3.77 C ATOM 359 CG ASP A 24 3.524 28.005 8.112 1.00 4.13 C ATOM 360 OD1 ASP A 24 4.769 27.931 8.047 1.00 4.50 O ATOM 361 OD2 ASP A 24 2.915 28.446 9.109 1.00 4.32 O ATOM 0 HA ASP A 24 3.356 29.191 5.701 1.00 3.89 H new ATOM 0 HB2 ASP A 24 1.764 27.121 7.269 1.00 3.77 H new ATOM 0 HB3 ASP A 24 3.243 26.729 6.415 1.00 3.77 H new ATOM 366 N GLY A 25 0.599 28.281 4.365 1.00 3.50 N ATOM 367 CA GLY A 25 -0.064 27.802 3.159 1.00 3.30 C ATOM 368 C GLY A 25 -0.649 26.446 3.405 1.00 2.90 C ATOM 369 O GLY A 25 -0.352 25.475 2.702 1.00 2.69 O ATOM 0 H GLY A 25 -0.014 28.790 5.001 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -0.849 28.498 2.864 1.00 3.30 H new ATOM 0 HA3 GLY A 25 0.648 27.757 2.335 1.00 3.30 H new ATOM 373 N THR A 26 -1.497 26.411 4.429 1.00 2.85 N ATOM 374 CA THR A 26 -2.130 25.192 4.876 1.00 2.53 C ATOM 375 C THR A 26 -3.635 25.166 4.605 1.00 2.45 C ATOM 376 O THR A 26 -4.202 26.140 4.102 1.00 2.66 O ATOM 377 CB THR A 26 -1.901 24.988 6.378 1.00 2.59 C ATOM 378 OG1 THR A 26 -2.493 26.046 7.141 1.00 2.84 O ATOM 379 CG2 THR A 26 -0.434 24.905 6.668 1.00 2.74 C ATOM 0 H THR A 26 -1.760 27.235 4.969 1.00 2.85 H new ATOM 0 HA THR A 26 -1.670 24.387 4.304 1.00 2.53 H new ATOM 0 HB THR A 26 -2.379 24.052 6.669 1.00 2.59 H new ATOM 0 HG1 THR A 26 -1.979 26.183 7.964 1.00 2.84 H new ATOM 0 HG21 THR A 26 -0.282 24.760 7.738 1.00 2.74 H new ATOM 0 HG22 THR A 26 -0.002 24.065 6.123 1.00 2.74 H new ATOM 0 HG23 THR A 26 0.052 25.829 6.355 1.00 2.74 H new ATOM 387 N ILE A 27 -4.271 24.031 4.955 1.00 2.21 N ATOM 388 CA ILE A 27 -5.726 23.846 4.782 1.00 2.22 C ATOM 389 C ILE A 27 -6.261 22.944 5.899 1.00 2.15 C ATOM 390 O ILE A 27 -5.530 22.601 6.816 1.00 2.13 O ATOM 391 CB ILE A 27 -6.133 23.275 3.380 1.00 2.13 C ATOM 392 CG1 ILE A 27 -5.592 21.849 3.185 1.00 1.82 C ATOM 393 CG2 ILE A 27 -5.690 24.216 2.258 1.00 2.31 C ATOM 394 CD1 ILE A 27 -6.220 21.109 2.021 1.00 1.79 C ATOM 0 H ILE A 27 -3.797 23.224 5.361 1.00 2.21 H new ATOM 0 HA ILE A 27 -6.177 24.837 4.840 1.00 2.22 H new ATOM 0 HB ILE A 27 -7.220 23.212 3.339 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -4.514 21.897 3.033 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -5.760 21.279 4.099 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -5.984 23.798 1.295 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -6.163 25.189 2.391 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -4.607 24.333 2.287 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -5.787 20.111 1.948 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -7.295 21.027 2.179 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -6.030 21.655 1.097 1.00 1.79 H new ATOM 406 N THR A 28 -7.536 22.596 5.831 1.00 2.23 N ATOM 407 CA THR A 28 -8.157 21.727 6.835 1.00 2.29 C ATOM 408 C THR A 28 -8.424 20.345 6.226 1.00 2.17 C ATOM 409 O THR A 28 -8.255 20.145 5.018 1.00 2.04 O ATOM 410 CB THR A 28 -9.442 22.371 7.465 1.00 2.57 C ATOM 411 OG1 THR A 28 -10.262 21.387 8.111 1.00 2.86 O ATOM 412 CG2 THR A 28 -10.273 23.130 6.437 1.00 3.10 C ATOM 0 H THR A 28 -8.168 22.900 5.091 1.00 2.23 H new ATOM 0 HA THR A 28 -7.462 21.602 7.666 1.00 2.29 H new ATOM 0 HB THR A 28 -9.087 23.083 8.210 1.00 2.57 H new ATOM 0 HG1 THR A 28 -11.053 21.821 8.494 1.00 2.86 H new ATOM 0 HG21 THR A 28 -11.151 23.557 6.922 1.00 3.10 H new ATOM 0 HG22 THR A 28 -9.673 23.930 6.003 1.00 3.10 H new ATOM 0 HG23 THR A 28 -10.590 22.447 5.649 1.00 3.10 H new ATOM 420 N THR A 29 -8.842 19.405 7.072 1.00 2.30 N ATOM 421 CA THR A 29 -9.057 18.015 6.668 1.00 2.30 C ATOM 422 C THR A 29 -10.287 17.759 5.801 1.00 2.50 C ATOM 423 O THR A 29 -10.177 17.097 4.765 1.00 2.44 O ATOM 424 CB THR A 29 -9.104 17.103 7.878 1.00 2.48 C ATOM 425 OG1 THR A 29 -9.980 17.631 8.884 1.00 2.75 O ATOM 426 CG2 THR A 29 -7.702 16.950 8.417 1.00 2.32 C ATOM 0 H THR A 29 -9.041 19.584 8.056 1.00 2.30 H new ATOM 0 HA THR A 29 -8.197 17.790 6.037 1.00 2.30 H new ATOM 0 HB THR A 29 -9.496 16.129 7.586 1.00 2.48 H new ATOM 0 HG1 THR A 29 -9.996 17.025 9.654 1.00 2.75 H new ATOM 0 HG21 THR A 29 -7.717 16.296 9.289 1.00 2.32 H new ATOM 0 HG22 THR A 29 -7.062 16.516 7.649 1.00 2.32 H new ATOM 0 HG23 THR A 29 -7.313 17.927 8.703 1.00 2.32 H new ATOM 434 N LYS A 30 -11.452 18.259 6.227 1.00 2.77 N ATOM 435 CA LYS A 30 -12.713 18.067 5.481 1.00 3.04 C ATOM 436 C LYS A 30 -12.582 18.486 4.009 1.00 2.98 C ATOM 437 O LYS A 30 -13.141 17.838 3.119 1.00 3.14 O ATOM 438 CB LYS A 30 -13.856 18.849 6.146 1.00 3.33 C ATOM 439 CG LYS A 30 -14.341 18.259 7.469 1.00 3.42 C ATOM 440 CD LYS A 30 -13.513 18.752 8.652 1.00 3.38 C ATOM 441 CE LYS A 30 -14.040 18.210 9.974 1.00 3.68 C ATOM 442 NZ LYS A 30 -15.313 18.868 10.385 1.00 3.70 N ATOM 0 H LYS A 30 -11.554 18.801 7.085 1.00 2.77 H new ATOM 0 HA LYS A 30 -12.941 17.001 5.505 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -13.526 19.873 6.319 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -14.697 18.897 5.454 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -15.387 18.525 7.623 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -14.292 17.171 7.420 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -12.475 18.447 8.522 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -13.524 19.842 8.675 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -14.200 17.135 9.886 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -13.289 18.358 10.750 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -15.616 18.492 11.306 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -15.164 19.894 10.462 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -16.048 18.677 9.674 1.00 3.70 H new ATOM 456 N GLU A 31 -11.839 19.574 3.776 1.00 2.81 N ATOM 457 CA GLU A 31 -11.611 20.102 2.426 1.00 2.81 C ATOM 458 C GLU A 31 -10.374 19.502 1.740 1.00 2.52 C ATOM 459 O GLU A 31 -10.227 19.659 0.523 1.00 2.57 O ATOM 460 CB GLU A 31 -11.493 21.632 2.465 1.00 2.89 C ATOM 461 CG GLU A 31 -12.792 22.349 2.823 1.00 3.24 C ATOM 462 CD GLU A 31 -12.951 22.572 4.314 1.00 3.22 C ATOM 463 OE1 GLU A 31 -13.259 21.599 5.031 1.00 3.26 O ATOM 464 OE2 GLU A 31 -12.772 23.723 4.764 1.00 3.60 O ATOM 0 H GLU A 31 -11.381 20.110 4.513 1.00 2.81 H new ATOM 0 HA GLU A 31 -12.476 19.809 1.832 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -10.727 21.908 3.189 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -11.153 21.984 1.491 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -12.823 23.311 2.312 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -13.636 21.765 2.456 1.00 3.24 H new ATOM 471 N LEU A 32 -9.482 18.813 2.492 1.00 2.26 N ATOM 472 CA LEU A 32 -8.276 18.233 1.870 1.00 1.98 C ATOM 473 C LEU A 32 -8.580 16.989 1.068 1.00 2.07 C ATOM 474 O LEU A 32 -7.936 16.728 0.059 1.00 1.98 O ATOM 475 CB LEU A 32 -7.138 17.970 2.854 1.00 1.69 C ATOM 476 CG LEU A 32 -7.323 16.982 4.008 1.00 1.74 C ATOM 477 CD1 LEU A 32 -7.153 15.528 3.590 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.270 17.315 5.008 1.00 1.59 C ATOM 0 H LEU A 32 -9.572 18.651 3.495 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.926 19.005 1.185 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -6.282 17.629 2.272 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -6.863 18.929 3.292 1.00 1.69 H new ATOM 0 HG LEU A 32 -8.338 17.075 4.394 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -7.297 14.881 4.456 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -7.890 15.281 2.826 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -6.150 15.380 3.189 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -6.351 16.640 5.860 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -5.287 17.206 4.551 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -6.401 18.343 5.346 1.00 1.59 H new ATOM 490 N GLY A 33 -9.526 16.195 1.550 1.00 2.31 N ATOM 491 CA GLY A 33 -9.946 15.018 0.801 1.00 2.52 C ATOM 492 C GLY A 33 -10.593 15.424 -0.491 1.00 2.75 C ATOM 493 O GLY A 33 -10.738 14.617 -1.404 1.00 2.91 O ATOM 0 H GLY A 33 -10.009 16.339 2.437 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -9.085 14.381 0.599 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -10.645 14.430 1.396 1.00 2.52 H new ATOM 497 N THR A 34 -11.015 16.698 -0.532 1.00 2.81 N ATOM 498 CA THR A 34 -11.585 17.297 -1.722 1.00 3.07 C ATOM 499 C THR A 34 -10.479 17.444 -2.748 1.00 2.93 C ATOM 500 O THR A 34 -10.705 17.628 -3.946 1.00 3.16 O ATOM 501 CB THR A 34 -12.308 18.641 -1.440 1.00 3.23 C ATOM 502 OG1 THR A 34 -13.034 18.555 -0.207 1.00 3.30 O ATOM 503 CG2 THR A 34 -13.278 19.004 -2.562 1.00 3.60 C ATOM 0 H THR A 34 -10.965 17.332 0.266 1.00 2.81 H new ATOM 0 HA THR A 34 -12.366 16.643 -2.110 1.00 3.07 H new ATOM 0 HB THR A 34 -11.546 19.417 -1.376 1.00 3.23 H new ATOM 0 HG1 THR A 34 -13.611 19.341 -0.112 1.00 3.30 H new ATOM 0 HG21 THR A 34 -13.765 19.951 -2.329 1.00 3.60 H new ATOM 0 HG22 THR A 34 -12.731 19.098 -3.500 1.00 3.60 H new ATOM 0 HG23 THR A 34 -14.031 18.222 -2.659 1.00 3.60 H new ATOM 511 N VAL A 35 -9.281 17.357 -2.198 1.00 2.56 N ATOM 512 CA VAL A 35 -8.040 17.340 -2.962 1.00 2.39 C ATOM 513 C VAL A 35 -7.919 15.940 -3.510 1.00 2.44 C ATOM 514 O VAL A 35 -7.457 15.757 -4.630 1.00 2.53 O ATOM 515 CB VAL A 35 -6.734 17.631 -2.137 1.00 2.01 C ATOM 516 CG1 VAL A 35 -5.471 17.399 -2.971 1.00 1.92 C ATOM 517 CG2 VAL A 35 -6.688 19.041 -1.594 1.00 2.02 C ATOM 0 H VAL A 35 -9.138 17.295 -1.190 1.00 2.56 H new ATOM 0 HA VAL A 35 -8.105 18.134 -3.706 1.00 2.39 H new ATOM 0 HB VAL A 35 -6.763 16.931 -1.302 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -4.590 17.611 -2.365 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -5.441 16.362 -3.305 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -5.482 18.059 -3.838 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -5.764 19.185 -1.033 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -6.725 19.751 -2.421 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -7.541 19.206 -0.936 1.00 2.02 H new ATOM 527 N MET A 36 -8.350 14.949 -2.697 1.00 2.44 N ATOM 528 CA MET A 36 -8.262 13.570 -3.122 1.00 2.55 C ATOM 529 C MET A 36 -9.427 13.153 -4.024 1.00 2.97 C ATOM 530 O MET A 36 -9.216 12.483 -5.039 1.00 3.11 O ATOM 531 CB MET A 36 -8.206 12.622 -1.928 1.00 2.49 C ATOM 532 CG MET A 36 -6.851 12.553 -1.243 1.00 2.24 C ATOM 533 SD MET A 36 -6.732 11.175 -0.085 1.00 2.48 S ATOM 534 CE MET A 36 -5.353 11.696 0.932 1.00 1.96 C ATOM 0 H MET A 36 -8.750 15.091 -1.769 1.00 2.44 H new ATOM 0 HA MET A 36 -7.338 13.499 -3.696 1.00 2.55 H new ATOM 0 HB2 MET A 36 -8.953 12.933 -1.198 1.00 2.49 H new ATOM 0 HB3 MET A 36 -8.482 11.622 -2.261 1.00 2.49 H new ATOM 0 HG2 MET A 36 -6.070 12.458 -1.998 1.00 2.24 H new ATOM 0 HG3 MET A 36 -6.668 13.487 -0.712 1.00 2.24 H new ATOM 0 HE1 MET A 36 -5.557 11.451 1.974 1.00 1.96 H new ATOM 0 HE2 MET A 36 -4.448 11.182 0.609 1.00 1.96 H new ATOM 0 HE3 MET A 36 -5.214 12.772 0.832 1.00 1.96 H new ATOM 544 N ARG A 37 -10.658 13.575 -3.661 1.00 3.18 N ATOM 545 CA ARG A 37 -11.871 13.181 -4.381 1.00 3.60 C ATOM 546 C ARG A 37 -11.929 13.701 -5.826 1.00 3.77 C ATOM 547 O ARG A 37 -12.698 13.189 -6.644 1.00 4.10 O ATOM 548 CB ARG A 37 -13.106 13.694 -3.629 1.00 3.78 C ATOM 549 CG ARG A 37 -13.773 12.666 -2.723 1.00 4.18 C ATOM 550 CD ARG A 37 -14.804 11.830 -3.474 1.00 4.52 C ATOM 551 NE ARG A 37 -15.610 11.002 -2.569 1.00 4.90 N ATOM 552 CZ ARG A 37 -16.664 10.263 -2.945 1.00 5.36 C ATOM 553 NH1 ARG A 37 -17.066 10.231 -4.215 1.00 5.45 N ATOM 554 NH2 ARG A 37 -17.320 9.552 -2.039 1.00 5.91 N ATOM 0 H ARG A 37 -10.830 14.192 -2.867 1.00 3.18 H new ATOM 0 HA ARG A 37 -11.854 12.092 -4.429 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -12.816 14.555 -3.027 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -13.837 14.046 -4.357 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -13.014 12.010 -2.298 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -14.256 13.176 -1.890 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -15.460 12.489 -4.042 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -14.295 11.189 -4.194 1.00 4.52 H new ATOM 0 HE ARG A 37 -15.350 10.988 -1.583 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -16.570 10.775 -4.921 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -17.870 9.663 -4.481 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -17.022 9.569 -1.064 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -18.123 8.987 -2.317 1.00 5.91 H new ATOM 568 N SER A 38 -11.112 14.715 -6.119 1.00 3.57 N ATOM 569 CA SER A 38 -11.073 15.352 -7.446 1.00 3.76 C ATOM 570 C SER A 38 -10.325 14.522 -8.496 1.00 3.81 C ATOM 571 O SER A 38 -10.486 14.759 -9.697 1.00 4.08 O ATOM 572 CB SER A 38 -10.434 16.738 -7.341 1.00 3.59 C ATOM 573 OG SER A 38 -11.239 17.614 -6.573 1.00 3.89 O ATOM 0 H SER A 38 -10.459 15.120 -5.448 1.00 3.57 H new ATOM 0 HA SER A 38 -12.107 15.432 -7.781 1.00 3.76 H new ATOM 0 HB2 SER A 38 -9.447 16.653 -6.886 1.00 3.59 H new ATOM 0 HB3 SER A 38 -10.290 17.152 -8.339 1.00 3.59 H new ATOM 0 HG SER A 38 -11.001 17.531 -5.626 1.00 3.89 H new ATOM 579 N LEU A 39 -9.515 13.558 -8.046 1.00 3.59 N ATOM 580 CA LEU A 39 -8.746 12.708 -8.964 1.00 3.65 C ATOM 581 C LEU A 39 -9.429 11.354 -9.182 1.00 3.91 C ATOM 582 O LEU A 39 -8.995 10.559 -10.024 1.00 4.06 O ATOM 583 CB LEU A 39 -7.313 12.505 -8.450 1.00 3.29 C ATOM 584 CG LEU A 39 -6.552 13.794 -8.144 1.00 3.06 C ATOM 585 CD1 LEU A 39 -6.711 14.148 -6.684 1.00 2.78 C ATOM 586 CD2 LEU A 39 -5.087 13.670 -8.505 1.00 3.19 C ATOM 0 H LEU A 39 -9.375 13.347 -7.058 1.00 3.59 H new ATOM 0 HA LEU A 39 -8.703 13.222 -9.924 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -7.349 11.898 -7.545 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -6.753 11.937 -9.193 1.00 3.29 H new ATOM 0 HG LEU A 39 -6.973 14.593 -8.754 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -6.166 15.068 -6.471 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -7.768 14.291 -6.457 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -6.314 13.341 -6.069 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -4.575 14.604 -8.275 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -4.638 12.859 -7.931 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -4.991 13.457 -9.570 1.00 3.19 H new ATOM 598 N GLY A 40 -10.504 11.110 -8.423 1.00 4.01 N ATOM 599 CA GLY A 40 -11.247 9.861 -8.524 1.00 4.30 C ATOM 600 C GLY A 40 -10.865 8.868 -7.441 1.00 4.16 C ATOM 601 O GLY A 40 -10.921 7.655 -7.661 1.00 4.36 O ATOM 0 H GLY A 40 -10.874 11.765 -7.734 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -12.315 10.071 -8.460 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -11.068 9.414 -9.502 1.00 4.30 H new ATOM 605 N GLN A 41 -10.478 9.392 -6.266 1.00 3.86 N ATOM 606 CA GLN A 41 -10.073 8.572 -5.123 1.00 3.74 C ATOM 607 C GLN A 41 -10.344 9.358 -3.846 1.00 3.60 C ATOM 608 O GLN A 41 -9.756 10.416 -3.632 1.00 3.46 O ATOM 609 CB GLN A 41 -8.574 8.218 -5.235 1.00 3.47 C ATOM 610 CG GLN A 41 -8.116 7.051 -4.361 1.00 3.68 C ATOM 611 CD GLN A 41 -8.502 5.696 -4.929 1.00 3.94 C ATOM 612 OE1 GLN A 41 -7.750 5.095 -5.696 1.00 4.34 O ATOM 613 NE2 GLN A 41 -9.679 5.210 -4.554 1.00 4.15 N ATOM 0 H GLN A 41 -10.439 10.395 -6.087 1.00 3.86 H new ATOM 0 HA GLN A 41 -10.640 7.641 -5.106 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -8.349 7.983 -6.275 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -7.988 9.099 -4.974 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -7.033 7.095 -4.245 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -8.548 7.158 -3.366 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -10.271 5.742 -3.916 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -9.992 4.304 -4.904 1.00 4.15 H new ATOM 622 N ASN A 42 -11.209 8.830 -2.990 1.00 3.76 N ATOM 623 CA ASN A 42 -11.559 9.514 -1.762 1.00 3.68 C ATOM 624 C ASN A 42 -10.795 8.932 -0.544 1.00 3.53 C ATOM 625 O ASN A 42 -10.484 7.738 -0.542 1.00 3.67 O ATOM 626 CB ASN A 42 -13.081 9.444 -1.522 1.00 4.06 C ATOM 627 CG ASN A 42 -13.625 8.022 -1.414 1.00 4.60 C ATOM 628 OD1 ASN A 42 -13.691 7.451 -0.325 1.00 4.82 O ATOM 629 ND2 ASN A 42 -14.013 7.449 -2.547 1.00 5.19 N ATOM 0 H ASN A 42 -11.677 7.934 -3.126 1.00 3.76 H new ATOM 0 HA ASN A 42 -11.264 10.558 -1.871 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -13.320 9.984 -0.606 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -13.591 9.957 -2.337 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -14.383 6.499 -2.537 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -13.941 7.959 -3.427 1.00 5.19 H new ATOM 636 N PRO A 43 -10.479 9.755 0.508 1.00 3.30 N ATOM 637 CA PRO A 43 -9.779 9.278 1.715 1.00 3.22 C ATOM 638 C PRO A 43 -10.740 8.762 2.800 1.00 3.54 C ATOM 639 O PRO A 43 -11.960 8.888 2.663 1.00 3.81 O ATOM 640 CB PRO A 43 -9.038 10.527 2.216 1.00 2.89 C ATOM 641 CG PRO A 43 -9.600 11.701 1.467 1.00 2.92 C ATOM 642 CD PRO A 43 -10.741 11.206 0.613 1.00 3.17 C ATOM 0 HA PRO A 43 -9.128 8.433 1.491 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -9.176 10.653 3.290 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -7.966 10.435 2.041 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -9.948 12.465 2.162 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -8.831 12.161 0.846 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -11.707 11.408 1.075 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -10.749 11.686 -0.366 1.00 3.17 H new ATOM 650 N THR A 44 -10.174 8.183 3.877 1.00 3.56 N ATOM 651 CA THR A 44 -10.967 7.662 5.000 1.00 3.90 C ATOM 652 C THR A 44 -11.354 8.802 5.955 1.00 3.85 C ATOM 653 O THR A 44 -10.693 9.842 5.985 1.00 3.54 O ATOM 654 CB THR A 44 -10.200 6.566 5.784 1.00 4.01 C ATOM 655 OG1 THR A 44 -9.313 5.858 4.908 1.00 3.86 O ATOM 656 CG2 THR A 44 -11.162 5.570 6.427 1.00 4.50 C ATOM 0 H THR A 44 -9.167 8.066 3.990 1.00 3.56 H new ATOM 0 HA THR A 44 -11.868 7.213 4.582 1.00 3.90 H new ATOM 0 HB THR A 44 -9.629 7.062 6.569 1.00 4.01 H new ATOM 0 HG1 THR A 44 -8.508 5.595 5.401 1.00 3.86 H new ATOM 0 HG21 THR A 44 -10.594 4.814 6.969 1.00 4.50 H new ATOM 0 HG22 THR A 44 -11.821 6.095 7.119 1.00 4.50 H new ATOM 0 HG23 THR A 44 -11.759 5.089 5.652 1.00 4.50 H new ATOM 664 N GLU A 45 -12.425 8.590 6.731 1.00 4.21 N ATOM 665 CA GLU A 45 -12.934 9.601 7.675 1.00 4.27 C ATOM 666 C GLU A 45 -12.141 9.666 8.990 1.00 4.16 C ATOM 667 O GLU A 45 -12.088 10.723 9.625 1.00 4.02 O ATOM 668 CB GLU A 45 -14.411 9.336 7.985 1.00 4.73 C ATOM 669 CG GLU A 45 -15.355 9.695 6.847 1.00 4.87 C ATOM 670 CD GLU A 45 -16.809 9.434 7.189 1.00 5.41 C ATOM 671 OE1 GLU A 45 -17.289 8.312 6.922 1.00 5.67 O ATOM 672 OE2 GLU A 45 -17.466 10.350 7.725 1.00 5.89 O ATOM 0 H GLU A 45 -12.961 7.722 6.725 1.00 4.21 H new ATOM 0 HA GLU A 45 -12.813 10.566 7.182 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -14.537 8.281 8.229 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -14.694 9.904 8.871 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -15.229 10.748 6.594 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -15.085 9.120 5.961 1.00 4.87 H new ATOM 679 N ALA A 46 -11.531 8.543 9.390 1.00 4.29 N ATOM 680 CA ALA A 46 -10.768 8.476 10.644 1.00 4.30 C ATOM 681 C ALA A 46 -9.275 8.765 10.464 1.00 3.96 C ATOM 682 O ALA A 46 -8.595 9.111 11.435 1.00 3.93 O ATOM 683 CB ALA A 46 -10.948 7.112 11.291 1.00 4.70 C ATOM 0 H ALA A 46 -11.551 7.669 8.864 1.00 4.29 H new ATOM 0 HA ALA A 46 -11.167 9.259 11.289 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -10.379 7.072 12.220 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -12.004 6.947 11.505 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -10.590 6.337 10.613 1.00 4.70 H new ATOM 689 N GLU A 47 -8.767 8.625 9.232 1.00 3.76 N ATOM 690 CA GLU A 47 -7.349 8.844 8.947 1.00 3.47 C ATOM 691 C GLU A 47 -6.985 10.309 8.766 1.00 3.09 C ATOM 692 O GLU A 47 -5.860 10.702 9.086 1.00 2.91 O ATOM 693 CB GLU A 47 -6.909 8.033 7.722 1.00 3.43 C ATOM 694 CG GLU A 47 -6.768 6.542 7.992 1.00 3.78 C ATOM 695 CD GLU A 47 -6.202 5.785 6.806 1.00 3.77 C ATOM 696 OE1 GLU A 47 -6.992 5.165 6.064 1.00 3.72 O ATOM 697 OE2 GLU A 47 -4.967 5.813 6.619 1.00 4.19 O ATOM 0 H GLU A 47 -9.321 8.360 8.418 1.00 3.76 H new ATOM 0 HA GLU A 47 -6.809 8.497 9.828 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -7.633 8.181 6.921 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -5.955 8.420 7.365 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -6.120 6.393 8.856 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -7.743 6.129 8.250 1.00 3.78 H new ATOM 704 N LEU A 48 -7.925 11.118 8.260 1.00 3.03 N ATOM 705 CA LEU A 48 -7.689 12.563 8.055 1.00 2.71 C ATOM 706 C LEU A 48 -7.262 13.238 9.351 1.00 2.75 C ATOM 707 O LEU A 48 -6.612 14.278 9.341 1.00 2.53 O ATOM 708 CB LEU A 48 -8.932 13.280 7.543 1.00 2.77 C ATOM 709 CG LEU A 48 -9.707 12.590 6.429 1.00 2.90 C ATOM 710 CD1 LEU A 48 -11.200 12.841 6.579 1.00 3.19 C ATOM 711 CD2 LEU A 48 -9.214 13.098 5.095 1.00 2.63 C ATOM 0 H LEU A 48 -8.855 10.803 7.984 1.00 3.03 H new ATOM 0 HA LEU A 48 -6.897 12.635 7.310 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -9.608 13.433 8.384 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -8.635 14.267 7.190 1.00 2.77 H new ATOM 0 HG LEU A 48 -9.543 11.514 6.489 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -11.736 12.340 5.773 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -11.540 12.451 7.539 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -11.395 13.912 6.533 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -9.765 12.608 4.293 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -9.369 14.175 5.036 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -8.151 12.878 4.992 1.00 2.63 H new ATOM 723 N GLN A 49 -7.678 12.640 10.460 1.00 3.08 N ATOM 724 CA GLN A 49 -7.336 13.125 11.788 1.00 3.22 C ATOM 725 C GLN A 49 -5.965 12.610 12.238 1.00 3.25 C ATOM 726 O GLN A 49 -5.227 13.346 12.891 1.00 3.25 O ATOM 727 CB GLN A 49 -8.401 12.698 12.802 1.00 3.61 C ATOM 728 CG GLN A 49 -9.710 13.465 12.684 1.00 3.67 C ATOM 729 CD GLN A 49 -10.742 13.018 13.700 1.00 4.10 C ATOM 730 OE1 GLN A 49 -10.811 13.551 14.808 1.00 4.58 O ATOM 731 NE2 GLN A 49 -11.551 12.033 13.328 1.00 4.30 N ATOM 0 H GLN A 49 -8.263 11.804 10.462 1.00 3.08 H new ATOM 0 HA GLN A 49 -7.295 14.213 11.739 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -8.602 11.634 12.676 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -8.004 12.830 13.808 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -9.516 14.530 12.814 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -10.114 13.334 11.680 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -11.459 11.620 12.400 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -12.265 11.689 13.970 1.00 4.30 H new ATOM 740 N ASP A 50 -5.634 11.345 11.899 1.00 3.34 N ATOM 741 CA ASP A 50 -4.354 10.753 12.320 1.00 3.43 C ATOM 742 C ASP A 50 -3.169 10.969 11.360 1.00 3.13 C ATOM 743 O ASP A 50 -2.132 11.470 11.795 1.00 3.13 O ATOM 744 CB ASP A 50 -4.491 9.272 12.615 1.00 3.76 C ATOM 745 CG ASP A 50 -5.457 8.974 13.748 1.00 4.11 C ATOM 746 OD1 ASP A 50 -6.659 8.779 13.469 1.00 4.38 O ATOM 747 OD2 ASP A 50 -5.011 8.936 14.914 1.00 4.38 O ATOM 0 H ASP A 50 -6.226 10.727 11.345 1.00 3.34 H new ATOM 0 HA ASP A 50 -4.112 11.305 13.228 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -4.828 8.759 11.715 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -3.511 8.866 12.866 1.00 3.76 H new ATOM 752 N MET A 51 -3.277 10.572 10.066 1.00 2.93 N ATOM 753 CA MET A 51 -2.127 10.740 9.136 1.00 2.66 C ATOM 754 C MET A 51 -1.827 12.197 8.884 1.00 2.39 C ATOM 755 O MET A 51 -0.670 12.575 8.686 1.00 2.30 O ATOM 756 CB MET A 51 -2.250 9.935 7.824 1.00 2.59 C ATOM 757 CG MET A 51 -3.641 9.841 7.227 1.00 2.35 C ATOM 758 SD MET A 51 -3.957 11.100 5.988 1.00 2.18 S ATOM 759 CE MET A 51 -5.706 10.852 5.795 1.00 2.48 C ATOM 0 H MET A 51 -4.110 10.151 9.654 1.00 2.93 H new ATOM 0 HA MET A 51 -1.270 10.305 9.650 1.00 2.66 H new ATOM 0 HB2 MET A 51 -1.588 10.383 7.083 1.00 2.59 H new ATOM 0 HB3 MET A 51 -1.886 8.924 8.006 1.00 2.59 H new ATOM 0 HG2 MET A 51 -3.772 8.856 6.779 1.00 2.35 H new ATOM 0 HG3 MET A 51 -4.379 9.929 8.024 1.00 2.35 H new ATOM 0 HE1 MET A 51 -6.172 11.782 5.469 1.00 2.48 H new ATOM 0 HE2 MET A 51 -5.883 10.076 5.050 1.00 2.48 H new ATOM 0 HE3 MET A 51 -6.137 10.545 6.748 1.00 2.48 H new ATOM 769 N ILE A 52 -2.871 13.008 8.915 1.00 2.33 N ATOM 770 CA ILE A 52 -2.743 14.446 8.780 1.00 2.15 C ATOM 771 C ILE A 52 -2.137 15.018 10.059 1.00 2.40 C ATOM 772 O ILE A 52 -1.554 16.091 10.059 1.00 2.36 O ATOM 773 CB ILE A 52 -4.120 15.073 8.455 1.00 2.10 C ATOM 774 CG1 ILE A 52 -4.222 15.306 6.959 1.00 1.78 C ATOM 775 CG2 ILE A 52 -4.397 16.361 9.226 1.00 2.22 C ATOM 776 CD1 ILE A 52 -5.225 14.411 6.275 1.00 1.85 C ATOM 0 H ILE A 52 -3.831 12.686 9.035 1.00 2.33 H new ATOM 0 HA ILE A 52 -2.076 14.689 7.953 1.00 2.15 H new ATOM 0 HB ILE A 52 -4.885 14.367 8.778 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -4.494 16.346 6.780 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -3.242 15.151 6.508 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -5.379 16.746 8.950 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -4.375 16.156 10.296 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -3.635 17.102 8.983 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -5.244 14.634 5.208 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -4.943 13.369 6.423 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -6.214 14.583 6.699 1.00 1.85 H new ATOM 788 N ASN A 53 -2.270 14.245 11.134 1.00 2.72 N ATOM 789 CA ASN A 53 -1.741 14.594 12.446 1.00 3.03 C ATOM 790 C ASN A 53 -0.243 14.429 12.480 1.00 3.09 C ATOM 791 O ASN A 53 0.443 14.808 13.425 1.00 3.36 O ATOM 792 CB ASN A 53 -2.408 13.715 13.508 1.00 3.37 C ATOM 793 CG ASN A 53 -2.128 14.151 14.939 1.00 3.66 C ATOM 794 OD1 ASN A 53 -2.862 14.959 15.509 1.00 3.89 O ATOM 795 ND2 ASN A 53 -1.063 13.615 15.524 1.00 3.98 N ATOM 0 H ASN A 53 -2.755 13.348 11.116 1.00 2.72 H new ATOM 0 HA ASN A 53 -1.962 15.641 12.655 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -3.485 13.718 13.343 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -2.069 12.687 13.379 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -0.826 13.869 16.483 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -0.482 12.949 15.014 1.00 3.98 H new ATOM 802 N GLU A 54 0.197 13.785 11.461 1.00 2.90 N ATOM 803 CA GLU A 54 1.609 13.540 11.225 1.00 2.96 C ATOM 804 C GLU A 54 2.240 14.710 10.469 1.00 2.77 C ATOM 805 O GLU A 54 3.462 14.890 10.495 1.00 2.93 O ATOM 806 CB GLU A 54 1.792 12.238 10.436 1.00 2.91 C ATOM 807 CG GLU A 54 1.481 10.983 11.243 1.00 3.22 C ATOM 808 CD GLU A 54 1.599 9.716 10.419 1.00 3.25 C ATOM 809 OE1 GLU A 54 0.591 9.313 9.802 1.00 3.56 O ATOM 810 OE2 GLU A 54 2.700 9.126 10.392 1.00 3.40 O ATOM 0 H GLU A 54 -0.412 13.397 10.741 1.00 2.90 H new ATOM 0 HA GLU A 54 2.110 13.444 12.188 1.00 2.96 H new ATOM 0 HB2 GLU A 54 1.148 12.263 9.557 1.00 2.91 H new ATOM 0 HB3 GLU A 54 2.820 12.183 10.077 1.00 2.91 H new ATOM 0 HG2 GLU A 54 2.161 10.924 12.093 1.00 3.22 H new ATOM 0 HG3 GLU A 54 0.471 11.056 11.647 1.00 3.22 H new ATOM 817 N VAL A 55 1.390 15.497 9.799 1.00 2.49 N ATOM 818 CA VAL A 55 1.849 16.650 9.019 1.00 2.36 C ATOM 819 C VAL A 55 1.130 17.954 9.382 1.00 2.40 C ATOM 820 O VAL A 55 1.660 19.039 9.119 1.00 2.49 O ATOM 821 CB VAL A 55 1.754 16.360 7.484 1.00 1.99 C ATOM 822 CG1 VAL A 55 2.092 17.579 6.626 1.00 2.37 C ATOM 823 CG2 VAL A 55 2.666 15.199 7.107 1.00 2.07 C ATOM 0 H VAL A 55 0.380 15.355 9.782 1.00 2.49 H new ATOM 0 HA VAL A 55 2.896 16.800 9.282 1.00 2.36 H new ATOM 0 HB VAL A 55 0.715 16.099 7.281 1.00 1.99 H new ATOM 0 HG11 VAL A 55 2.009 17.316 5.571 1.00 2.37 H new ATOM 0 HG12 VAL A 55 1.398 18.388 6.854 1.00 2.37 H new ATOM 0 HG13 VAL A 55 3.110 17.903 6.840 1.00 2.37 H new ATOM 0 HG21 VAL A 55 2.589 15.009 6.036 1.00 2.07 H new ATOM 0 HG22 VAL A 55 3.697 15.450 7.358 1.00 2.07 H new ATOM 0 HG23 VAL A 55 2.365 14.307 7.656 1.00 2.07 H new ATOM 833 N ALA A 56 -0.040 17.865 10.003 1.00 2.43 N ATOM 834 CA ALA A 56 -0.780 19.068 10.357 1.00 2.53 C ATOM 835 C ALA A 56 -0.663 19.295 11.851 1.00 2.90 C ATOM 836 O ALA A 56 -1.415 20.065 12.462 1.00 3.05 O ATOM 837 CB ALA A 56 -2.222 18.961 9.887 1.00 2.36 C ATOM 0 H ALA A 56 -0.490 16.989 10.268 1.00 2.43 H new ATOM 0 HA ALA A 56 -0.358 19.937 9.853 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -2.762 19.868 10.159 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -2.244 18.837 8.804 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -2.696 18.101 10.360 1.00 2.36 H new ATOM 843 N ALA A 57 0.331 18.610 12.414 1.00 3.08 N ATOM 844 CA ALA A 57 0.636 18.686 13.822 1.00 3.45 C ATOM 845 C ALA A 57 1.840 19.563 14.068 1.00 3.67 C ATOM 846 O ALA A 57 2.770 19.610 13.258 1.00 3.69 O ATOM 847 CB ALA A 57 0.831 17.297 14.406 1.00 3.64 C ATOM 0 H ALA A 57 0.946 17.985 11.893 1.00 3.08 H new ATOM 0 HA ALA A 57 -0.212 19.144 14.331 1.00 3.45 H new ATOM 0 HB1 ALA A 57 1.060 17.378 15.469 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -0.082 16.716 14.275 1.00 3.64 H new ATOM 0 HB3 ALA A 57 1.655 16.799 13.894 1.00 3.64 H new ATOM 886 N GLY A 61 -2.695 24.487 13.430 1.00 3.52 N ATOM 887 CA GLY A 61 -3.979 23.816 13.606 1.00 3.44 C ATOM 888 C GLY A 61 -4.548 23.257 12.310 1.00 3.11 C ATOM 889 O GLY A 61 -5.631 22.664 12.315 1.00 3.10 O ATOM 0 HA2 GLY A 61 -3.861 23.004 14.323 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -4.693 24.519 14.035 1.00 3.44 H new ATOM 893 N THR A 62 -3.818 23.446 11.203 1.00 2.91 N ATOM 894 CA THR A 62 -4.242 22.951 9.893 1.00 2.61 C ATOM 895 C THR A 62 -3.110 22.182 9.192 1.00 2.41 C ATOM 896 O THR A 62 -2.032 21.983 9.761 1.00 2.55 O ATOM 897 CB THR A 62 -4.775 24.084 8.983 1.00 2.62 C ATOM 898 OG1 THR A 62 -3.962 25.254 9.115 1.00 2.84 O ATOM 899 CG2 THR A 62 -6.223 24.422 9.320 1.00 2.75 C ATOM 0 H THR A 62 -2.926 23.941 11.192 1.00 2.91 H new ATOM 0 HA THR A 62 -5.067 22.261 10.073 1.00 2.61 H new ATOM 0 HB THR A 62 -4.732 23.732 7.952 1.00 2.62 H new ATOM 0 HG1 THR A 62 -3.677 25.556 8.227 1.00 2.84 H new ATOM 0 HG21 THR A 62 -6.572 25.221 8.666 1.00 2.75 H new ATOM 0 HG22 THR A 62 -6.845 23.539 9.178 1.00 2.75 H new ATOM 0 HG23 THR A 62 -6.288 24.749 10.358 1.00 2.75 H new ATOM 907 N ILE A 63 -3.375 21.774 7.949 1.00 2.14 N ATOM 908 CA ILE A 63 -2.467 20.976 7.134 1.00 1.93 C ATOM 909 C ILE A 63 -1.735 21.804 6.118 1.00 1.95 C ATOM 910 O ILE A 63 -2.336 22.612 5.437 1.00 1.99 O ATOM 911 CB ILE A 63 -3.186 19.968 6.225 1.00 1.63 C ATOM 912 CG1 ILE A 63 -4.720 19.992 6.366 1.00 1.70 C ATOM 913 CG2 ILE A 63 -2.649 18.532 6.314 1.00 1.51 C ATOM 914 CD1 ILE A 63 -5.257 19.318 7.613 1.00 1.95 C ATOM 0 H ILE A 63 -4.249 21.997 7.473 1.00 2.14 H new ATOM 0 HA ILE A 63 -1.829 20.508 7.884 1.00 1.93 H new ATOM 0 HB ILE A 63 -2.946 20.324 5.223 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -5.055 21.029 6.359 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -5.158 19.509 5.492 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -3.215 17.889 5.639 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -1.597 18.519 6.030 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -2.754 18.167 7.336 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -6.345 19.386 7.624 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -4.959 18.270 7.617 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -4.854 19.813 8.496 1.00 1.95 H new ATOM 926 N ASP A 64 -0.474 21.505 5.944 1.00 2.01 N ATOM 927 CA ASP A 64 0.349 22.164 4.953 1.00 2.12 C ATOM 928 C ASP A 64 0.462 21.255 3.722 1.00 1.86 C ATOM 929 O ASP A 64 0.257 20.044 3.833 1.00 1.62 O ATOM 930 CB ASP A 64 1.737 22.552 5.486 1.00 2.46 C ATOM 931 CG ASP A 64 2.428 21.453 6.284 1.00 2.46 C ATOM 932 OD1 ASP A 64 3.151 20.639 5.672 1.00 2.68 O ATOM 933 OD2 ASP A 64 2.243 21.410 7.519 1.00 2.74 O ATOM 0 H ASP A 64 0.017 20.794 6.486 1.00 2.01 H new ATOM 0 HA ASP A 64 -0.133 23.103 4.682 1.00 2.12 H new ATOM 0 HB2 ASP A 64 2.372 22.829 4.645 1.00 2.46 H new ATOM 0 HB3 ASP A 64 1.638 23.436 6.116 1.00 2.46 H new ATOM 938 N PHE A 65 0.796 21.828 2.561 1.00 1.97 N ATOM 939 CA PHE A 65 0.864 21.058 1.310 1.00 1.80 C ATOM 940 C PHE A 65 2.130 20.156 1.168 1.00 1.83 C ATOM 941 O PHE A 65 1.982 18.981 0.826 1.00 1.60 O ATOM 942 CB PHE A 65 0.770 22.005 0.096 1.00 2.04 C ATOM 943 CG PHE A 65 0.441 21.317 -1.215 1.00 1.95 C ATOM 944 CD1 PHE A 65 -0.789 20.717 -1.396 1.00 2.40 C ATOM 945 CD2 PHE A 65 1.352 21.283 -2.259 1.00 2.11 C ATOM 946 CE1 PHE A 65 -1.125 20.096 -2.575 1.00 2.45 C ATOM 947 CE2 PHE A 65 1.030 20.659 -3.452 1.00 2.08 C ATOM 948 CZ PHE A 65 -0.210 20.065 -3.608 1.00 1.96 C ATOM 0 H PHE A 65 1.023 22.817 2.459 1.00 1.97 H new ATOM 0 HA PHE A 65 0.011 20.380 1.343 1.00 1.80 H new ATOM 0 HB2 PHE A 65 0.009 22.759 0.297 1.00 2.04 H new ATOM 0 HB3 PHE A 65 1.718 22.531 -0.012 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -1.507 20.736 -0.589 1.00 2.40 H new ATOM 0 HD2 PHE A 65 2.320 21.747 -2.141 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -2.095 19.637 -2.692 1.00 2.45 H new ATOM 0 HE2 PHE A 65 1.746 20.636 -4.260 1.00 2.08 H new ATOM 0 HZ PHE A 65 -0.462 19.577 -4.538 1.00 1.96 H new ATOM 958 N PRO A 66 3.385 20.680 1.417 1.00 2.16 N ATOM 959 CA PRO A 66 4.664 19.930 1.249 1.00 2.30 C ATOM 960 C PRO A 66 4.668 18.432 1.641 1.00 2.09 C ATOM 961 O PRO A 66 4.987 17.587 0.801 1.00 2.04 O ATOM 962 CB PRO A 66 5.661 20.715 2.131 1.00 2.67 C ATOM 963 CG PRO A 66 4.882 21.827 2.761 1.00 2.78 C ATOM 964 CD PRO A 66 3.692 22.048 1.879 1.00 2.48 C ATOM 0 HA PRO A 66 4.902 19.881 0.186 1.00 2.30 H new ATOM 0 HB2 PRO A 66 6.100 20.069 2.891 1.00 2.67 H new ATOM 0 HB3 PRO A 66 6.484 21.107 1.533 1.00 2.67 H new ATOM 0 HG2 PRO A 66 4.574 21.563 3.773 1.00 2.78 H new ATOM 0 HG3 PRO A 66 5.485 22.732 2.837 1.00 2.78 H new ATOM 0 HD2 PRO A 66 2.858 22.490 2.424 1.00 2.48 H new ATOM 0 HD3 PRO A 66 3.920 22.716 1.049 1.00 2.48 H new ATOM 972 N GLU A 67 4.344 18.106 2.899 1.00 2.04 N ATOM 973 CA GLU A 67 4.355 16.713 3.363 1.00 1.95 C ATOM 974 C GLU A 67 3.041 15.981 3.194 1.00 1.60 C ATOM 975 O GLU A 67 2.976 14.757 3.320 1.00 1.59 O ATOM 976 CB GLU A 67 4.891 16.601 4.791 1.00 2.24 C ATOM 977 CG GLU A 67 6.404 16.723 4.886 1.00 2.61 C ATOM 978 CD GLU A 67 6.911 16.595 6.309 1.00 3.15 C ATOM 979 OE1 GLU A 67 7.190 15.456 6.739 1.00 3.47 O ATOM 980 OE2 GLU A 67 7.029 17.634 6.992 1.00 3.66 O ATOM 0 H GLU A 67 4.072 18.784 3.611 1.00 2.04 H new ATOM 0 HA GLU A 67 5.046 16.197 2.697 1.00 1.95 H new ATOM 0 HB2 GLU A 67 4.433 17.378 5.404 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.585 15.643 5.211 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.866 15.953 4.269 1.00 2.61 H new ATOM 0 HG3 GLU A 67 6.713 17.686 4.479 1.00 2.61 H new ATOM 987 N PHE A 68 2.014 16.739 2.917 1.00 1.40 N ATOM 988 CA PHE A 68 0.657 16.202 2.712 1.00 1.10 C ATOM 989 C PHE A 68 0.633 15.295 1.455 1.00 0.99 C ATOM 990 O PHE A 68 -0.183 14.376 1.374 1.00 0.94 O ATOM 991 CB PHE A 68 -0.350 17.378 2.679 1.00 1.04 C ATOM 992 CG PHE A 68 -1.742 17.126 2.142 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.726 16.497 2.907 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.091 17.620 0.893 1.00 1.60 C ATOM 995 CE1 PHE A 68 -4.007 16.376 2.428 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.375 17.480 0.404 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.339 16.864 1.172 1.00 1.15 C ATOM 0 H PHE A 68 2.075 17.753 2.823 1.00 1.40 H new ATOM 0 HA PHE A 68 0.353 15.560 3.538 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -0.451 17.755 3.697 1.00 1.04 H new ATOM 0 HB3 PHE A 68 0.094 18.177 2.085 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -2.478 16.103 3.882 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.346 18.122 0.293 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.762 15.897 3.034 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.623 17.853 -0.579 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.347 16.762 0.799 1.00 1.15 H new ATOM 1007 N LEU A 69 1.541 15.570 0.483 1.00 1.15 N ATOM 1008 CA LEU A 69 1.678 14.737 -0.735 1.00 1.24 C ATOM 1009 C LEU A 69 2.558 13.516 -0.478 1.00 1.42 C ATOM 1010 O LEU A 69 2.311 12.440 -1.027 1.00 1.53 O ATOM 1011 CB LEU A 69 2.266 15.484 -1.938 1.00 1.51 C ATOM 1012 CG LEU A 69 2.022 16.981 -2.015 1.00 1.59 C ATOM 1013 CD1 LEU A 69 3.289 17.705 -1.645 1.00 1.82 C ATOM 1014 CD2 LEU A 69 1.594 17.368 -3.410 1.00 1.76 C ATOM 0 H LEU A 69 2.186 16.360 0.521 1.00 1.15 H new ATOM 0 HA LEU A 69 0.657 14.443 -0.977 1.00 1.24 H new ATOM 0 HB2 LEU A 69 3.343 15.317 -1.945 1.00 1.51 H new ATOM 0 HB3 LEU A 69 1.867 15.030 -2.845 1.00 1.51 H new ATOM 0 HG LEU A 69 1.227 17.256 -1.321 1.00 1.59 H new ATOM 0 HD11 LEU A 69 3.122 18.781 -1.698 1.00 1.82 H new ATOM 0 HD12 LEU A 69 3.581 17.433 -0.631 1.00 1.82 H new ATOM 0 HD13 LEU A 69 4.083 17.427 -2.338 1.00 1.82 H new ATOM 0 HD21 LEU A 69 1.422 18.444 -3.453 1.00 1.76 H new ATOM 0 HD22 LEU A 69 2.376 17.097 -4.119 1.00 1.76 H new ATOM 0 HD23 LEU A 69 0.674 16.843 -3.667 1.00 1.76 H new ATOM 1026 N THR A 70 3.605 13.699 0.345 1.00 1.58 N ATOM 1027 CA THR A 70 4.544 12.603 0.669 1.00 1.88 C ATOM 1028 C THR A 70 3.818 11.458 1.374 1.00 1.87 C ATOM 1029 O THR A 70 4.161 10.284 1.204 1.00 2.04 O ATOM 1030 CB THR A 70 5.729 13.076 1.544 1.00 2.19 C ATOM 1031 OG1 THR A 70 5.254 13.814 2.672 1.00 2.14 O ATOM 1032 CG2 THR A 70 6.697 13.935 0.740 1.00 2.80 C ATOM 0 H THR A 70 3.824 14.587 0.797 1.00 1.58 H new ATOM 0 HA THR A 70 4.948 12.253 -0.281 1.00 1.88 H new ATOM 0 HB THR A 70 6.259 12.189 1.892 1.00 2.19 H new ATOM 0 HG1 THR A 70 4.278 13.744 2.721 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.520 14.253 1.381 1.00 2.80 H new ATOM 0 HG22 THR A 70 7.091 13.355 -0.095 1.00 2.80 H new ATOM 0 HG23 THR A 70 6.174 14.812 0.358 1.00 2.80 H new ATOM 1040 N MET A 71 2.809 11.834 2.165 1.00 1.77 N ATOM 1041 CA MET A 71 1.960 10.885 2.890 1.00 1.91 C ATOM 1042 C MET A 71 0.856 10.329 1.977 1.00 1.83 C ATOM 1043 O MET A 71 0.311 9.253 2.236 1.00 2.06 O ATOM 1044 CB MET A 71 1.355 11.541 4.143 1.00 2.01 C ATOM 1045 CG MET A 71 0.713 12.906 3.903 1.00 2.31 C ATOM 1046 SD MET A 71 0.271 13.742 5.430 1.00 2.07 S ATOM 1047 CE MET A 71 -1.277 12.938 5.801 1.00 1.57 C ATOM 0 H MET A 71 2.557 12.810 2.321 1.00 1.77 H new ATOM 0 HA MET A 71 2.583 10.051 3.211 1.00 1.91 H new ATOM 0 HB2 MET A 71 0.604 10.870 4.561 1.00 2.01 H new ATOM 0 HB3 MET A 71 2.138 11.650 4.893 1.00 2.01 H new ATOM 0 HG2 MET A 71 1.402 13.533 3.337 1.00 2.31 H new ATOM 0 HG3 MET A 71 -0.180 12.780 3.291 1.00 2.31 H new ATOM 0 HE1 MET A 71 -1.852 13.556 6.490 1.00 1.57 H new ATOM 0 HE2 MET A 71 -1.844 12.797 4.881 1.00 1.57 H new ATOM 0 HE3 MET A 71 -1.083 11.968 6.259 1.00 1.57 H new ATOM 1057 N MET A 72 0.543 11.086 0.904 1.00 1.61 N ATOM 1058 CA MET A 72 -0.482 10.706 -0.086 1.00 1.69 C ATOM 1059 C MET A 72 -0.202 9.323 -0.692 1.00 1.97 C ATOM 1060 O MET A 72 -1.134 8.601 -1.060 1.00 2.17 O ATOM 1061 CB MET A 72 -0.554 11.763 -1.195 1.00 1.60 C ATOM 1062 CG MET A 72 -1.499 12.916 -0.885 1.00 1.46 C ATOM 1063 SD MET A 72 -3.195 12.604 -1.398 1.00 1.69 S ATOM 1064 CE MET A 72 -3.852 14.269 -1.319 1.00 1.53 C ATOM 0 H MET A 72 0.995 11.978 0.701 1.00 1.61 H new ATOM 0 HA MET A 72 -1.441 10.653 0.430 1.00 1.69 H new ATOM 0 HB2 MET A 72 0.445 12.162 -1.370 1.00 1.60 H new ATOM 0 HB3 MET A 72 -0.872 11.284 -2.121 1.00 1.60 H new ATOM 0 HG2 MET A 72 -1.481 13.113 0.187 1.00 1.46 H new ATOM 0 HG3 MET A 72 -1.137 13.817 -1.380 1.00 1.46 H new ATOM 0 HE1 MET A 72 -4.570 14.416 -2.126 1.00 1.53 H new ATOM 0 HE2 MET A 72 -4.348 14.419 -0.360 1.00 1.53 H new ATOM 0 HE3 MET A 72 -3.038 14.987 -1.423 1.00 1.53 H new ATOM 1207 N SER A 81 -1.717 -4.235 -1.581 1.00 3.49 N ATOM 1208 CA SER A 81 -1.613 -5.612 -1.104 1.00 3.36 C ATOM 1209 C SER A 81 -0.185 -6.150 -1.190 1.00 2.88 C ATOM 1210 O SER A 81 0.271 -6.878 -0.307 1.00 2.79 O ATOM 1211 CB SER A 81 -2.562 -6.517 -1.892 1.00 3.71 C ATOM 1212 OG SER A 81 -3.907 -6.093 -1.750 1.00 4.35 O ATOM 0 HA SER A 81 -1.898 -5.611 -0.052 1.00 3.36 H new ATOM 0 HB2 SER A 81 -2.285 -6.510 -2.946 1.00 3.71 H new ATOM 0 HB3 SER A 81 -2.463 -7.545 -1.543 1.00 3.71 H new ATOM 0 HG SER A 81 -3.929 -5.131 -1.563 1.00 4.35 H new ATOM 1218 N GLU A 82 0.514 -5.750 -2.250 1.00 2.97 N ATOM 1219 CA GLU A 82 1.903 -6.179 -2.523 1.00 3.25 C ATOM 1220 C GLU A 82 2.882 -5.755 -1.431 1.00 3.85 C ATOM 1221 O GLU A 82 3.949 -6.349 -1.270 1.00 4.27 O ATOM 1222 CB GLU A 82 2.373 -5.598 -3.852 1.00 3.94 C ATOM 1223 CG GLU A 82 1.692 -6.202 -5.074 1.00 4.12 C ATOM 1224 CD GLU A 82 2.200 -5.613 -6.375 1.00 4.93 C ATOM 1225 OE1 GLU A 82 1.644 -4.587 -6.820 1.00 5.51 O ATOM 1226 OE2 GLU A 82 3.156 -6.177 -6.948 1.00 5.25 O ATOM 0 H GLU A 82 0.139 -5.115 -2.954 1.00 2.97 H new ATOM 0 HA GLU A 82 1.891 -7.268 -2.555 1.00 3.25 H new ATOM 0 HB2 GLU A 82 2.198 -4.522 -3.847 1.00 3.94 H new ATOM 0 HB3 GLU A 82 3.449 -5.746 -3.940 1.00 3.94 H new ATOM 0 HG2 GLU A 82 1.854 -7.280 -5.080 1.00 4.12 H new ATOM 0 HG3 GLU A 82 0.616 -6.041 -5.002 1.00 4.12 H new ATOM 1233 N GLU A 83 2.520 -4.703 -0.716 1.00 4.18 N ATOM 1234 CA GLU A 83 3.334 -4.182 0.390 1.00 5.12 C ATOM 1235 C GLU A 83 3.326 -5.150 1.595 1.00 5.33 C ATOM 1236 O GLU A 83 4.233 -5.124 2.432 1.00 6.21 O ATOM 1237 CB GLU A 83 2.841 -2.767 0.787 1.00 5.53 C ATOM 1238 CG GLU A 83 1.554 -2.716 1.618 1.00 5.74 C ATOM 1239 CD GLU A 83 1.818 -2.685 3.113 1.00 6.48 C ATOM 1240 OE1 GLU A 83 2.071 -1.585 3.648 1.00 6.88 O ATOM 1241 OE2 GLU A 83 1.767 -3.759 3.748 1.00 6.89 O ATOM 0 H GLU A 83 1.658 -4.182 -0.878 1.00 4.18 H new ATOM 0 HA GLU A 83 4.369 -4.102 0.057 1.00 5.12 H new ATOM 0 HB2 GLU A 83 3.633 -2.271 1.348 1.00 5.53 H new ATOM 0 HB3 GLU A 83 2.686 -2.188 -0.124 1.00 5.53 H new ATOM 0 HG2 GLU A 83 0.981 -1.833 1.337 1.00 5.74 H new ATOM 0 HG3 GLU A 83 0.939 -3.584 1.380 1.00 5.74 H new ATOM 1248 N GLU A 84 2.283 -5.995 1.651 1.00 4.72 N ATOM 1249 CA GLU A 84 2.091 -6.964 2.738 1.00 5.16 C ATOM 1250 C GLU A 84 2.860 -8.280 2.540 1.00 4.87 C ATOM 1251 O GLU A 84 3.296 -8.879 3.525 1.00 5.53 O ATOM 1252 CB GLU A 84 0.600 -7.267 2.908 1.00 5.11 C ATOM 1253 CG GLU A 84 -0.200 -6.122 3.514 1.00 5.77 C ATOM 1254 CD GLU A 84 -1.667 -6.462 3.684 1.00 6.38 C ATOM 1255 OE1 GLU A 84 -2.443 -6.235 2.732 1.00 6.86 O ATOM 1256 OE2 GLU A 84 -2.041 -6.955 4.768 1.00 6.68 O ATOM 0 H GLU A 84 1.550 -6.024 0.942 1.00 4.72 H new ATOM 0 HA GLU A 84 2.497 -6.497 3.635 1.00 5.16 H new ATOM 0 HB2 GLU A 84 0.177 -7.517 1.935 1.00 5.11 H new ATOM 0 HB3 GLU A 84 0.489 -8.148 3.539 1.00 5.11 H new ATOM 0 HG2 GLU A 84 0.223 -5.861 4.484 1.00 5.77 H new ATOM 0 HG3 GLU A 84 -0.106 -5.242 2.878 1.00 5.77 H new ATOM 1263 N ILE A 85 3.026 -8.738 1.279 1.00 3.98 N ATOM 1264 CA ILE A 85 3.728 -10.012 0.992 1.00 3.69 C ATOM 1265 C ILE A 85 5.158 -10.024 1.477 1.00 4.63 C ATOM 1266 O ILE A 85 5.508 -10.815 2.355 1.00 5.03 O ATOM 1267 CB ILE A 85 3.671 -10.429 -0.509 1.00 2.77 C ATOM 1268 CG1 ILE A 85 3.783 -9.214 -1.445 1.00 3.16 C ATOM 1269 CG2 ILE A 85 2.380 -11.179 -0.786 1.00 1.99 C ATOM 1270 CD1 ILE A 85 4.663 -9.430 -2.660 1.00 3.97 C ATOM 0 H ILE A 85 2.687 -8.250 0.450 1.00 3.98 H new ATOM 0 HA ILE A 85 3.172 -10.756 1.563 1.00 3.69 H new ATOM 0 HB ILE A 85 4.524 -11.078 -0.707 1.00 2.77 H new ATOM 0 HG12 ILE A 85 2.784 -8.938 -1.781 1.00 3.16 H new ATOM 0 HG13 ILE A 85 4.172 -8.369 -0.877 1.00 3.16 H new ATOM 0 HG21 ILE A 85 2.345 -11.468 -1.836 1.00 1.99 H new ATOM 0 HG22 ILE A 85 2.337 -12.072 -0.162 1.00 1.99 H new ATOM 0 HG23 ILE A 85 1.530 -10.536 -0.558 1.00 1.99 H new ATOM 0 HD11 ILE A 85 4.682 -8.521 -3.261 1.00 3.97 H new ATOM 0 HD12 ILE A 85 5.675 -9.673 -2.337 1.00 3.97 H new ATOM 0 HD13 ILE A 85 4.265 -10.251 -3.256 1.00 3.97 H new ATOM 1282 N ARG A 86 5.961 -9.125 0.947 1.00 5.19 N ATOM 1283 CA ARG A 86 7.364 -9.003 1.359 1.00 6.32 C ATOM 1284 C ARG A 86 7.456 -8.717 2.839 1.00 7.11 C ATOM 1285 O ARG A 86 8.499 -8.927 3.468 1.00 7.98 O ATOM 1286 CB ARG A 86 8.031 -7.846 0.656 1.00 6.99 C ATOM 1287 CG ARG A 86 8.348 -8.115 -0.809 1.00 7.36 C ATOM 1288 CD ARG A 86 9.023 -6.921 -1.464 1.00 8.25 C ATOM 1289 NE ARG A 86 9.360 -7.181 -2.868 1.00 8.76 N ATOM 1290 CZ ARG A 86 10.174 -6.418 -3.612 1.00 9.65 C ATOM 1291 NH1 ARG A 86 10.751 -5.329 -3.106 1.00 10.08 N ATOM 1292 NH2 ARG A 86 10.410 -6.750 -4.874 1.00 10.26 N ATOM 0 H ARG A 86 5.675 -8.461 0.227 1.00 5.19 H new ATOM 0 HA ARG A 86 7.853 -9.944 1.107 1.00 6.32 H new ATOM 0 HB2 ARG A 86 7.384 -6.971 0.723 1.00 6.99 H new ATOM 0 HB3 ARG A 86 8.955 -7.600 1.179 1.00 6.99 H new ATOM 0 HG2 ARG A 86 8.996 -8.988 -0.887 1.00 7.36 H new ATOM 0 HG3 ARG A 86 7.428 -8.352 -1.343 1.00 7.36 H new ATOM 0 HD2 ARG A 86 8.365 -6.054 -1.404 1.00 8.25 H new ATOM 0 HD3 ARG A 86 9.930 -6.671 -0.914 1.00 8.25 H new ATOM 0 HE ARG A 86 8.945 -8.001 -3.310 1.00 8.76 H new ATOM 0 HH11 ARG A 86 10.577 -5.063 -2.137 1.00 10.08 H new ATOM 0 HH12 ARG A 86 11.367 -4.761 -3.688 1.00 10.08 H new ATOM 0 HH21 ARG A 86 9.973 -7.581 -5.273 1.00 10.26 H new ATOM 0 HH22 ARG A 86 11.028 -6.174 -5.446 1.00 10.26 H new ATOM 1306 N GLU A 87 6.336 -8.239 3.379 1.00 6.95 N ATOM 1307 CA GLU A 87 6.282 -7.862 4.769 1.00 7.91 C ATOM 1308 C GLU A 87 5.954 -9.065 5.665 1.00 7.97 C ATOM 1309 O GLU A 87 6.352 -9.122 6.832 1.00 8.94 O ATOM 1310 CB GLU A 87 5.266 -6.733 4.980 1.00 8.02 C ATOM 1311 CG GLU A 87 5.614 -5.791 6.126 1.00 8.75 C ATOM 1312 CD GLU A 87 4.594 -4.684 6.302 1.00 9.11 C ATOM 1313 OE1 GLU A 87 3.636 -4.878 7.080 1.00 9.62 O ATOM 1314 OE2 GLU A 87 4.754 -3.622 5.664 1.00 9.05 O ATOM 0 H GLU A 87 5.463 -8.108 2.868 1.00 6.95 H new ATOM 0 HA GLU A 87 7.269 -7.499 5.055 1.00 7.91 H new ATOM 0 HB2 GLU A 87 5.185 -6.154 4.060 1.00 8.02 H new ATOM 0 HB3 GLU A 87 4.286 -7.171 5.168 1.00 8.02 H new ATOM 0 HG2 GLU A 87 5.688 -6.362 7.051 1.00 8.75 H new ATOM 0 HG3 GLU A 87 6.594 -5.351 5.944 1.00 8.75 H new ATOM 1321 N ALA A 88 5.222 -10.013 5.076 1.00 7.00 N ATOM 1322 CA ALA A 88 4.768 -11.229 5.755 1.00 7.06 C ATOM 1323 C ALA A 88 5.774 -12.365 5.650 1.00 7.01 C ATOM 1324 O ALA A 88 6.115 -12.990 6.639 1.00 7.73 O ATOM 1325 CB ALA A 88 3.454 -11.683 5.163 1.00 6.21 C ATOM 0 H ALA A 88 4.924 -9.957 4.102 1.00 7.00 H new ATOM 0 HA ALA A 88 4.652 -10.981 6.810 1.00 7.06 H new ATOM 0 HB1 ALA A 88 3.120 -12.588 5.671 1.00 6.21 H new ATOM 0 HB2 ALA A 88 2.708 -10.899 5.290 1.00 6.21 H new ATOM 0 HB3 ALA A 88 3.586 -11.890 4.101 1.00 6.21 H new ATOM 1331 N PHE A 89 6.193 -12.661 4.423 1.00 6.21 N ATOM 1332 CA PHE A 89 7.178 -13.714 4.123 1.00 6.21 C ATOM 1333 C PHE A 89 8.399 -13.760 5.057 1.00 7.49 C ATOM 1334 O PHE A 89 9.095 -14.775 5.111 1.00 7.70 O ATOM 1335 CB PHE A 89 7.592 -13.573 2.672 1.00 5.56 C ATOM 1336 CG PHE A 89 6.551 -14.130 1.768 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.648 -15.433 1.340 1.00 3.84 C ATOM 1338 CD2 PHE A 89 5.457 -13.367 1.373 1.00 3.79 C ATOM 1339 CE1 PHE A 89 5.694 -15.970 0.533 1.00 2.77 C ATOM 1340 CE2 PHE A 89 4.501 -13.899 0.561 1.00 2.72 C ATOM 1341 CZ PHE A 89 4.625 -15.206 0.139 1.00 1.93 C ATOM 0 H PHE A 89 5.857 -12.173 3.592 1.00 6.21 H new ATOM 0 HA PHE A 89 6.688 -14.671 4.303 1.00 6.21 H new ATOM 0 HB2 PHE A 89 7.759 -12.522 2.437 1.00 5.56 H new ATOM 0 HB3 PHE A 89 8.537 -14.090 2.507 1.00 5.56 H new ATOM 0 HD1 PHE A 89 7.490 -16.036 1.648 1.00 3.84 H new ATOM 0 HD2 PHE A 89 5.365 -12.346 1.712 1.00 3.79 H new ATOM 0 HE1 PHE A 89 5.778 -16.995 0.203 1.00 2.77 H new ATOM 0 HE2 PHE A 89 3.655 -13.303 0.251 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.873 -15.632 -0.508 1.00 1.93 H new ATOM 1351 N ARG A 90 8.656 -12.667 5.785 1.00 8.36 N ATOM 1352 CA ARG A 90 9.760 -12.619 6.749 1.00 9.63 C ATOM 1353 C ARG A 90 9.396 -13.392 8.034 1.00 10.20 C ATOM 1354 O ARG A 90 10.250 -13.606 8.900 1.00 11.20 O ATOM 1355 CB ARG A 90 10.109 -11.166 7.095 1.00 10.38 C ATOM 1356 CG ARG A 90 10.854 -10.431 5.990 1.00 10.73 C ATOM 1357 CD ARG A 90 11.235 -9.023 6.419 1.00 11.51 C ATOM 1358 NE ARG A 90 11.977 -8.311 5.373 1.00 12.01 N ATOM 1359 CZ ARG A 90 12.572 -7.120 5.534 1.00 12.77 C ATOM 1360 NH1 ARG A 90 12.527 -6.479 6.701 1.00 13.10 N ATOM 1361 NH2 ARG A 90 13.217 -6.567 4.516 1.00 13.29 N ATOM 0 H ARG A 90 8.114 -11.805 5.724 1.00 8.36 H new ATOM 0 HA ARG A 90 10.629 -13.091 6.291 1.00 9.63 H new ATOM 0 HB2 ARG A 90 9.190 -10.626 7.321 1.00 10.38 H new ATOM 0 HB3 ARG A 90 10.717 -11.154 8.000 1.00 10.38 H new ATOM 0 HG2 ARG A 90 11.753 -10.987 5.723 1.00 10.73 H new ATOM 0 HG3 ARG A 90 10.230 -10.385 5.097 1.00 10.73 H new ATOM 0 HD2 ARG A 90 10.333 -8.464 6.668 1.00 11.51 H new ATOM 0 HD3 ARG A 90 11.841 -9.071 7.324 1.00 11.51 H new ATOM 0 HE ARG A 90 12.045 -8.754 4.457 1.00 12.01 H new ATOM 0 HH11 ARG A 90 12.034 -6.893 7.492 1.00 13.10 H new ATOM 0 HH12 ARG A 90 12.986 -5.574 6.804 1.00 13.10 H new ATOM 0 HH21 ARG A 90 13.258 -7.047 3.617 1.00 13.29 H new ATOM 0 HH22 ARG A 90 13.672 -5.661 4.632 1.00 13.29 H new ATOM 1375 N VAL A 91 8.117 -13.810 8.134 1.00 9.66 N ATOM 1376 CA VAL A 91 7.610 -14.545 9.268 1.00 10.29 C ATOM 1377 C VAL A 91 7.528 -16.039 8.981 1.00 9.81 C ATOM 1378 O VAL A 91 7.964 -16.864 9.789 1.00 10.52 O ATOM 1379 CB VAL A 91 6.193 -14.086 9.679 1.00 10.33 C ATOM 1380 CG1 VAL A 91 6.041 -14.050 11.195 1.00 11.64 C ATOM 1381 CG2 VAL A 91 5.786 -12.750 9.066 1.00 9.85 C ATOM 0 H VAL A 91 7.416 -13.636 7.414 1.00 9.66 H new ATOM 0 HA VAL A 91 8.316 -14.346 10.075 1.00 10.29 H new ATOM 0 HB VAL A 91 5.510 -14.833 9.274 1.00 10.33 H new ATOM 0 HG11 VAL A 91 5.033 -13.723 11.452 1.00 11.64 H new ATOM 0 HG12 VAL A 91 6.214 -15.046 11.602 1.00 11.64 H new ATOM 0 HG13 VAL A 91 6.767 -13.355 11.617 1.00 11.64 H new ATOM 0 HG21 VAL A 91 4.781 -12.489 9.397 1.00 9.85 H new ATOM 0 HG22 VAL A 91 6.485 -11.976 9.383 1.00 9.85 H new ATOM 0 HG23 VAL A 91 5.801 -12.829 7.979 1.00 9.85 H new ATOM 1391 N PHE A 92 6.960 -16.363 7.824 1.00 8.63 N ATOM 1392 CA PHE A 92 6.743 -17.755 7.420 1.00 8.08 C ATOM 1393 C PHE A 92 7.793 -18.274 6.445 1.00 7.58 C ATOM 1394 O PHE A 92 8.077 -19.474 6.432 1.00 7.57 O ATOM 1395 CB PHE A 92 5.389 -17.906 6.716 1.00 7.14 C ATOM 1396 CG PHE A 92 4.243 -17.095 7.270 1.00 7.60 C ATOM 1397 CD1 PHE A 92 3.280 -17.696 8.060 1.00 7.95 C ATOM 1398 CD2 PHE A 92 4.101 -15.748 6.951 1.00 7.88 C ATOM 1399 CE1 PHE A 92 2.198 -16.977 8.521 1.00 8.45 C ATOM 1400 CE2 PHE A 92 3.027 -15.027 7.412 1.00 8.39 C ATOM 1401 CZ PHE A 92 2.067 -15.640 8.195 1.00 8.62 C ATOM 0 H PHE A 92 6.638 -15.677 7.142 1.00 8.63 H new ATOM 0 HA PHE A 92 6.795 -18.329 8.345 1.00 8.08 H new ATOM 0 HB2 PHE A 92 5.519 -17.639 5.667 1.00 7.14 H new ATOM 0 HB3 PHE A 92 5.106 -18.958 6.744 1.00 7.14 H new ATOM 0 HD1 PHE A 92 3.377 -18.740 8.319 1.00 7.95 H new ATOM 0 HD2 PHE A 92 4.844 -15.264 6.334 1.00 7.88 H new ATOM 0 HE1 PHE A 92 1.453 -17.458 9.137 1.00 8.45 H new ATOM 0 HE2 PHE A 92 2.932 -13.980 7.163 1.00 8.39 H new ATOM 0 HZ PHE A 92 1.217 -15.076 8.551 1.00 8.62 H new ATOM 1411 N ALA A 93 8.360 -17.382 5.634 1.00 7.32 N ATOM 1412 CA ALA A 93 9.351 -17.780 4.644 1.00 7.11 C ATOM 1413 C ALA A 93 10.777 -17.475 5.108 1.00 8.33 C ATOM 1414 O ALA A 93 11.430 -16.536 4.635 1.00 8.83 O ATOM 1415 CB ALA A 93 9.006 -17.164 3.289 1.00 6.22 C ATOM 0 H ALA A 93 8.149 -16.384 5.645 1.00 7.32 H new ATOM 0 HA ALA A 93 9.319 -18.863 4.525 1.00 7.11 H new ATOM 0 HB1 ALA A 93 9.751 -17.465 2.552 1.00 6.22 H new ATOM 0 HB2 ALA A 93 8.022 -17.509 2.972 1.00 6.22 H new ATOM 0 HB3 ALA A 93 8.999 -16.077 3.375 1.00 6.22 H new ATOM 1421 N LYS A 94 11.234 -18.290 6.070 1.00 8.92 N ATOM 1422 CA LYS A 94 12.570 -18.198 6.646 1.00 10.13 C ATOM 1423 C LYS A 94 13.656 -18.611 5.672 1.00 10.64 C ATOM 1424 O LYS A 94 13.502 -19.578 4.921 1.00 11.32 O ATOM 1425 CB LYS A 94 12.634 -19.044 7.919 1.00 10.90 C ATOM 1426 CG LYS A 94 13.118 -18.277 9.157 1.00 11.36 C ATOM 1427 CD LYS A 94 12.194 -17.107 9.535 1.00 11.16 C ATOM 1428 CE LYS A 94 10.915 -17.563 10.223 1.00 10.61 C ATOM 1429 NZ LYS A 94 11.167 -18.161 11.566 1.00 11.01 N ATOM 0 H LYS A 94 10.672 -19.041 6.471 1.00 8.92 H new ATOM 0 HA LYS A 94 12.756 -17.152 6.888 1.00 10.13 H new ATOM 0 HB2 LYS A 94 11.644 -19.452 8.122 1.00 10.90 H new ATOM 0 HB3 LYS A 94 13.298 -19.891 7.747 1.00 10.90 H new ATOM 0 HG2 LYS A 94 13.188 -18.965 10.000 1.00 11.36 H new ATOM 0 HG3 LYS A 94 14.122 -17.895 8.972 1.00 11.36 H new ATOM 0 HD2 LYS A 94 12.731 -16.424 10.193 1.00 11.16 H new ATOM 0 HD3 LYS A 94 11.937 -16.547 8.635 1.00 11.16 H new ATOM 0 HE2 LYS A 94 10.241 -16.713 10.329 1.00 10.61 H new ATOM 0 HE3 LYS A 94 10.409 -18.295 9.593 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 10.270 -18.236 12.087 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 11.581 -19.108 11.452 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 11.826 -17.557 12.097 1.00 11.01 H new ATOM 1443 N ASP A 95 14.760 -17.851 5.701 1.00 10.41 N ATOM 1444 CA ASP A 95 15.922 -18.100 4.846 1.00 10.95 C ATOM 1445 C ASP A 95 16.685 -19.351 5.287 1.00 11.36 C ATOM 1446 O ASP A 95 17.853 -19.563 4.935 1.00 11.72 O ATOM 1447 CB ASP A 95 16.845 -16.872 4.818 1.00 10.75 C ATOM 1448 CG ASP A 95 16.223 -15.685 4.106 1.00 10.79 C ATOM 1449 OD1 ASP A 95 15.250 -15.114 4.642 1.00 11.08 O ATOM 1450 OD2 ASP A 95 16.713 -15.324 3.015 1.00 10.72 O ATOM 0 H ASP A 95 14.869 -17.047 6.319 1.00 10.41 H new ATOM 0 HA ASP A 95 15.560 -18.280 3.834 1.00 10.95 H new ATOM 0 HB2 ASP A 95 17.094 -16.587 5.840 1.00 10.75 H new ATOM 0 HB3 ASP A 95 17.780 -17.137 4.324 1.00 10.75 H new ATOM 1455 N GLY A 96 15.974 -20.179 6.045 1.00 11.41 N ATOM 1456 CA GLY A 96 16.522 -21.441 6.558 1.00 11.89 C ATOM 1457 C GLY A 96 16.690 -22.493 5.477 1.00 11.67 C ATOM 1458 O GLY A 96 15.789 -22.676 4.653 1.00 11.82 O ATOM 0 H GLY A 96 15.009 -20.001 6.322 1.00 11.41 H new ATOM 0 HA2 GLY A 96 17.488 -21.249 7.025 1.00 11.89 H new ATOM 0 HA3 GLY A 96 15.864 -21.828 7.336 1.00 11.89 H new ATOM 1462 N ASN A 97 17.855 -23.194 5.491 1.00 11.48 N ATOM 1463 CA ASN A 97 18.203 -24.262 4.515 1.00 11.39 C ATOM 1464 C ASN A 97 18.362 -23.758 3.082 1.00 11.24 C ATOM 1465 O ASN A 97 19.068 -24.360 2.268 1.00 11.69 O ATOM 1466 CB ASN A 97 17.117 -25.312 4.529 1.00 10.47 C ATOM 1467 CG ASN A 97 17.649 -26.716 4.742 1.00 10.82 C ATOM 1468 OD1 ASN A 97 17.771 -27.181 5.876 1.00 11.12 O ATOM 1469 ND2 ASN A 97 17.968 -27.401 3.650 1.00 10.95 N ATOM 0 H ASN A 97 18.585 -23.032 6.185 1.00 11.48 H new ATOM 0 HA ASN A 97 19.168 -24.663 4.825 1.00 11.39 H new ATOM 0 HB2 ASN A 97 16.403 -25.077 5.318 1.00 10.47 H new ATOM 0 HB3 ASN A 97 16.573 -25.276 3.585 1.00 10.47 H new ATOM 0 HD21 ASN A 97 18.330 -28.351 3.732 1.00 10.95 H new ATOM 0 HD22 ASN A 97 17.851 -26.977 2.730 1.00 10.95 H new ATOM 1476 N GLY A 98 17.696 -22.657 2.815 1.00 10.71 N ATOM 1477 CA GLY A 98 17.673 -22.056 1.500 1.00 10.57 C ATOM 1478 C GLY A 98 16.302 -22.216 0.875 1.00 9.35 C ATOM 1479 O GLY A 98 16.060 -21.747 -0.239 1.00 9.23 O ATOM 0 H GLY A 98 17.150 -22.149 3.511 1.00 10.71 H new ATOM 0 HA2 GLY A 98 17.927 -20.998 1.571 1.00 10.57 H new ATOM 0 HA3 GLY A 98 18.427 -22.523 0.866 1.00 10.57 H new ATOM 1483 N TYR A 99 15.429 -22.950 1.583 1.00 8.53 N ATOM 1484 CA TYR A 99 14.060 -23.170 1.162 1.00 7.35 C ATOM 1485 C TYR A 99 13.067 -22.865 2.294 1.00 6.60 C ATOM 1486 O TYR A 99 13.417 -22.272 3.319 1.00 6.68 O ATOM 1487 CB TYR A 99 13.852 -24.621 0.680 1.00 7.03 C ATOM 1488 CG TYR A 99 14.683 -25.025 -0.508 1.00 7.42 C ATOM 1489 CD1 TYR A 99 14.129 -25.091 -1.790 1.00 7.29 C ATOM 1490 CD2 TYR A 99 16.025 -25.349 -0.343 1.00 8.16 C ATOM 1491 CE1 TYR A 99 14.904 -25.468 -2.871 1.00 7.85 C ATOM 1492 CE2 TYR A 99 16.801 -25.726 -1.422 1.00 8.71 C ATOM 1493 CZ TYR A 99 16.236 -25.784 -2.682 1.00 8.53 C ATOM 1494 OH TYR A 99 17.007 -26.160 -3.758 1.00 9.21 O ATOM 0 H TYR A 99 15.666 -23.404 2.465 1.00 8.53 H new ATOM 0 HA TYR A 99 13.871 -22.487 0.334 1.00 7.35 H new ATOM 0 HB2 TYR A 99 14.074 -25.297 1.506 1.00 7.03 H new ATOM 0 HB3 TYR A 99 12.800 -24.757 0.431 1.00 7.03 H new ATOM 0 HD1 TYR A 99 13.088 -24.846 -1.937 1.00 7.29 H new ATOM 0 HD2 TYR A 99 16.467 -25.305 0.642 1.00 8.16 H new ATOM 0 HE1 TYR A 99 14.470 -25.515 -3.859 1.00 7.85 H new ATOM 0 HE2 TYR A 99 17.843 -25.974 -1.282 1.00 8.71 H new ATOM 0 HH TYR A 99 17.920 -26.348 -3.456 1.00 9.21 H new ATOM 1504 N ILE A 100 11.819 -23.292 2.061 1.00 6.19 N ATOM 1505 CA ILE A 100 10.693 -23.180 2.990 1.00 5.73 C ATOM 1506 C ILE A 100 9.495 -23.860 2.319 1.00 4.64 C ATOM 1507 O ILE A 100 9.269 -23.651 1.123 1.00 4.17 O ATOM 1508 CB ILE A 100 10.363 -21.703 3.411 1.00 5.84 C ATOM 1509 CG1 ILE A 100 9.404 -21.693 4.614 1.00 5.96 C ATOM 1510 CG2 ILE A 100 9.800 -20.872 2.254 1.00 5.70 C ATOM 1511 CD1 ILE A 100 10.111 -21.643 5.954 1.00 6.65 C ATOM 0 H ILE A 100 11.558 -23.743 1.184 1.00 6.19 H new ATOM 0 HA ILE A 100 10.953 -23.670 3.928 1.00 5.73 H new ATOM 0 HB ILE A 100 11.302 -21.232 3.701 1.00 5.84 H new ATOM 0 HG12 ILE A 100 8.740 -20.833 4.531 1.00 5.96 H new ATOM 0 HG13 ILE A 100 8.778 -22.584 4.576 1.00 5.96 H new ATOM 0 HG21 ILE A 100 9.590 -19.860 2.601 1.00 5.70 H new ATOM 0 HG22 ILE A 100 10.529 -20.834 1.445 1.00 5.70 H new ATOM 0 HG23 ILE A 100 8.880 -21.330 1.891 1.00 5.70 H new ATOM 0 HD11 ILE A 100 9.372 -21.639 6.755 1.00 6.65 H new ATOM 0 HD12 ILE A 100 10.755 -22.517 6.059 1.00 6.65 H new ATOM 0 HD13 ILE A 100 10.716 -20.738 6.013 1.00 6.65 H new ATOM 1523 N SER A 101 8.726 -24.661 3.069 1.00 4.56 N ATOM 1524 CA SER A 101 7.597 -25.379 2.477 1.00 3.87 C ATOM 1525 C SER A 101 6.545 -24.447 1.909 1.00 3.18 C ATOM 1526 O SER A 101 6.178 -23.437 2.516 1.00 3.33 O ATOM 1527 CB SER A 101 6.948 -26.355 3.454 1.00 4.59 C ATOM 1528 OG SER A 101 7.905 -26.958 4.309 1.00 5.48 O ATOM 0 H SER A 101 8.863 -24.824 4.066 1.00 4.56 H new ATOM 0 HA SER A 101 8.024 -25.951 1.654 1.00 3.87 H new ATOM 0 HB2 SER A 101 6.205 -25.829 4.054 1.00 4.59 H new ATOM 0 HB3 SER A 101 6.419 -27.129 2.898 1.00 4.59 H new ATOM 0 HG SER A 101 7.453 -27.576 4.921 1.00 5.48 H new ATOM 1534 N ALA A 102 6.076 -24.827 0.724 1.00 2.74 N ATOM 1535 CA ALA A 102 5.039 -24.080 -0.013 1.00 2.63 C ATOM 1536 C ALA A 102 3.691 -24.019 0.728 1.00 3.39 C ATOM 1537 O ALA A 102 2.840 -23.186 0.402 1.00 3.61 O ATOM 1538 CB ALA A 102 4.845 -24.687 -1.389 1.00 3.06 C ATOM 0 H ALA A 102 6.400 -25.664 0.239 1.00 2.74 H new ATOM 0 HA ALA A 102 5.395 -23.053 -0.100 1.00 2.63 H new ATOM 0 HB1 ALA A 102 4.078 -24.130 -1.927 1.00 3.06 H new ATOM 0 HB2 ALA A 102 5.783 -24.641 -1.943 1.00 3.06 H new ATOM 0 HB3 ALA A 102 4.535 -25.727 -1.287 1.00 3.06 H new ATOM 1544 N ALA A 103 3.512 -24.904 1.721 1.00 4.09 N ATOM 1545 CA ALA A 103 2.275 -24.975 2.519 1.00 5.20 C ATOM 1546 C ALA A 103 2.023 -23.712 3.359 1.00 5.47 C ATOM 1547 O ALA A 103 0.889 -23.467 3.780 1.00 6.33 O ATOM 1548 CB ALA A 103 2.313 -26.199 3.421 1.00 5.96 C ATOM 0 H ALA A 103 4.217 -25.589 1.994 1.00 4.09 H new ATOM 0 HA ALA A 103 1.448 -25.052 1.813 1.00 5.20 H new ATOM 0 HB1 ALA A 103 1.396 -26.247 4.009 1.00 5.96 H new ATOM 0 HB2 ALA A 103 2.400 -27.098 2.811 1.00 5.96 H new ATOM 0 HB3 ALA A 103 3.170 -26.131 4.091 1.00 5.96 H new ATOM 1554 N GLU A 104 3.081 -22.918 3.595 1.00 4.91 N ATOM 1555 CA GLU A 104 2.977 -21.684 4.393 1.00 5.33 C ATOM 1556 C GLU A 104 2.384 -20.517 3.593 1.00 4.76 C ATOM 1557 O GLU A 104 1.674 -19.684 4.158 1.00 5.38 O ATOM 1558 CB GLU A 104 4.346 -21.280 4.952 1.00 5.44 C ATOM 1559 CG GLU A 104 4.868 -22.191 6.061 1.00 6.31 C ATOM 1560 CD GLU A 104 5.487 -23.474 5.534 1.00 6.92 C ATOM 1561 OE1 GLU A 104 6.707 -23.477 5.265 1.00 7.26 O ATOM 1562 OE2 GLU A 104 4.752 -24.474 5.392 1.00 7.37 O ATOM 0 H GLU A 104 4.019 -23.109 3.244 1.00 4.91 H new ATOM 0 HA GLU A 104 2.297 -21.904 5.216 1.00 5.33 H new ATOM 0 HB2 GLU A 104 5.069 -21.269 4.137 1.00 5.44 H new ATOM 0 HB3 GLU A 104 4.282 -20.261 5.335 1.00 5.44 H new ATOM 0 HG2 GLU A 104 5.610 -21.650 6.648 1.00 6.31 H new ATOM 0 HG3 GLU A 104 4.048 -22.440 6.735 1.00 6.31 H new ATOM 1569 N LEU A 105 2.703 -20.452 2.285 1.00 3.64 N ATOM 1570 CA LEU A 105 2.204 -19.404 1.368 1.00 3.09 C ATOM 1571 C LEU A 105 0.717 -19.182 1.463 1.00 4.03 C ATOM 1572 O LEU A 105 0.248 -18.043 1.475 1.00 4.13 O ATOM 1573 CB LEU A 105 2.492 -19.775 -0.087 1.00 2.35 C ATOM 1574 CG LEU A 105 3.872 -20.379 -0.389 1.00 1.65 C ATOM 1575 CD1 LEU A 105 3.842 -21.155 -1.689 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.933 -19.294 -0.432 1.00 1.38 C ATOM 0 H LEU A 105 3.317 -21.128 1.831 1.00 3.64 H new ATOM 0 HA LEU A 105 2.725 -18.496 1.672 1.00 3.09 H new ATOM 0 HB2 LEU A 105 1.732 -20.485 -0.413 1.00 2.35 H new ATOM 0 HB3 LEU A 105 2.373 -18.879 -0.696 1.00 2.35 H new ATOM 0 HG LEU A 105 4.127 -21.071 0.414 1.00 1.65 H new ATOM 0 HD11 LEU A 105 4.829 -21.575 -1.885 1.00 2.00 H new ATOM 0 HD12 LEU A 105 3.113 -21.962 -1.614 1.00 2.00 H new ATOM 0 HD13 LEU A 105 3.563 -20.488 -2.505 1.00 2.00 H new ATOM 0 HD21 LEU A 105 5.903 -19.742 -0.647 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.685 -18.573 -1.211 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.974 -18.786 0.532 1.00 1.38 H new ATOM 1588 N ARG A 106 -0.016 -20.283 1.509 1.00 4.83 N ATOM 1589 CA ARG A 106 -1.468 -20.237 1.587 1.00 5.95 C ATOM 1590 C ARG A 106 -1.906 -19.579 2.878 1.00 6.65 C ATOM 1591 O ARG A 106 -3.025 -19.104 3.000 1.00 7.39 O ATOM 1592 CB ARG A 106 -2.092 -21.632 1.492 1.00 6.81 C ATOM 1593 CG ARG A 106 -1.743 -22.401 0.222 1.00 6.46 C ATOM 1594 CD ARG A 106 -0.555 -23.312 0.441 1.00 5.99 C ATOM 1595 NE ARG A 106 -0.929 -24.559 1.119 1.00 6.40 N ATOM 1596 CZ ARG A 106 -0.495 -25.780 0.770 1.00 6.89 C ATOM 1597 NH1 ARG A 106 0.337 -25.950 -0.256 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -0.903 -26.838 1.457 1.00 7.37 N ATOM 0 H ARG A 106 0.374 -21.225 1.494 1.00 4.83 H new ATOM 0 HA ARG A 106 -1.816 -19.651 0.736 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -1.773 -22.217 2.354 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -3.176 -21.535 1.556 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -2.603 -22.991 -0.097 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -1.522 -21.699 -0.582 1.00 6.46 H new ATOM 0 HD2 ARG A 106 -0.097 -23.546 -0.520 1.00 5.99 H new ATOM 0 HD3 ARG A 106 0.197 -22.790 1.033 1.00 5.99 H new ATOM 0 HE ARG A 106 -1.565 -24.493 1.913 1.00 6.40 H new ATOM 0 HH11 ARG A 106 0.656 -25.144 -0.793 1.00 7.08 H new ATOM 0 HH12 ARG A 106 0.655 -26.887 -0.505 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -1.542 -26.720 2.244 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -0.578 -27.770 1.199 1.00 7.37 H new ATOM 1612 N HIS A 107 -1.013 -19.630 3.846 1.00 6.60 N ATOM 1613 CA HIS A 107 -1.206 -18.990 5.122 1.00 7.43 C ATOM 1614 C HIS A 107 -0.643 -17.565 5.075 1.00 6.90 C ATOM 1615 O HIS A 107 -1.013 -16.735 5.902 1.00 7.61 O ATOM 1616 CB HIS A 107 -0.537 -19.790 6.246 1.00 8.00 C ATOM 1617 CG HIS A 107 -1.213 -21.093 6.547 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -1.156 -22.288 5.913 1.00 9.79 N flip ATOM 1619 CD2 HIS A 107 -2.069 -21.268 7.615 1.00 9.07 C flip ATOM 1620 CE1 HIS A 107 -1.969 -23.153 6.603 1.00 10.41 C flip ATOM 1621 NE2 HIS A 107 -2.507 -22.514 7.625 1.00 10.03 N flip ATOM 0 H HIS A 107 -0.124 -20.124 3.763 1.00 6.60 H new ATOM 0 HA HIS A 107 -2.275 -18.948 5.331 1.00 7.43 H new ATOM 0 HB2 HIS A 107 0.500 -19.984 5.973 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -0.520 -19.183 7.151 1.00 8.00 H new ATOM 0 HD1 HIS A 107 -0.611 -22.505 5.079 1.00 9.79 H new ATOM 0 HD2 HIS A 107 -2.339 -20.505 8.331 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -2.141 -24.189 6.350 1.00 10.41 H new ATOM 1630 N VAL A 108 0.266 -17.296 4.102 1.00 5.69 N ATOM 1631 CA VAL A 108 0.875 -15.975 3.947 1.00 5.20 C ATOM 1632 C VAL A 108 0.030 -15.043 3.094 1.00 4.84 C ATOM 1633 O VAL A 108 -0.426 -14.000 3.570 1.00 5.36 O ATOM 1634 CB VAL A 108 2.303 -16.081 3.325 1.00 4.27 C ATOM 1635 CG1 VAL A 108 2.958 -14.718 3.195 1.00 4.16 C ATOM 1636 CG2 VAL A 108 3.197 -17.041 4.094 1.00 4.80 C ATOM 0 H VAL A 108 0.584 -17.985 3.420 1.00 5.69 H new ATOM 0 HA VAL A 108 0.943 -15.555 4.950 1.00 5.20 H new ATOM 0 HB VAL A 108 2.175 -16.491 2.323 1.00 4.27 H new ATOM 0 HG11 VAL A 108 3.950 -14.831 2.758 1.00 4.16 H new ATOM 0 HG12 VAL A 108 2.349 -14.082 2.553 1.00 4.16 H new ATOM 0 HG13 VAL A 108 3.045 -14.261 4.181 1.00 4.16 H new ATOM 0 HG21 VAL A 108 4.179 -17.080 3.623 1.00 4.80 H new ATOM 0 HG22 VAL A 108 3.302 -16.696 5.123 1.00 4.80 H new ATOM 0 HG23 VAL A 108 2.752 -18.036 4.089 1.00 4.80 H new ATOM 1646 N MET A 109 -0.125 -15.409 1.826 1.00 4.11 N ATOM 1647 CA MET A 109 -0.946 -14.644 0.883 1.00 4.08 C ATOM 1648 C MET A 109 -2.354 -14.473 1.439 1.00 5.33 C ATOM 1649 O MET A 109 -2.986 -13.433 1.231 1.00 5.53 O ATOM 1650 CB MET A 109 -0.949 -15.303 -0.487 1.00 3.81 C ATOM 1651 CG MET A 109 0.273 -14.907 -1.320 1.00 2.70 C ATOM 1652 SD MET A 109 0.183 -15.478 -3.026 1.00 3.27 S ATOM 1653 CE MET A 109 0.490 -17.224 -2.810 1.00 3.46 C ATOM 0 H MET A 109 0.310 -16.238 1.421 1.00 4.11 H new ATOM 0 HA MET A 109 -0.515 -13.651 0.757 1.00 4.08 H new ATOM 0 HB2 MET A 109 -0.970 -16.386 -0.368 1.00 3.81 H new ATOM 0 HB3 MET A 109 -1.857 -15.024 -1.021 1.00 3.81 H new ATOM 0 HG2 MET A 109 0.374 -13.822 -1.312 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.170 -15.315 -0.854 1.00 2.70 H new ATOM 0 HE1 MET A 109 1.383 -17.508 -3.367 1.00 3.46 H new ATOM 0 HE2 MET A 109 0.638 -17.439 -1.752 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.364 -17.792 -3.180 1.00 3.46 H new ATOM 1663 N THR A 110 -2.844 -15.512 2.143 1.00 6.20 N ATOM 1664 CA THR A 110 -4.130 -15.421 2.836 1.00 7.45 C ATOM 1665 C THR A 110 -3.994 -14.467 4.042 1.00 7.80 C ATOM 1666 O THR A 110 -4.958 -13.781 4.394 1.00 8.54 O ATOM 1667 CB THR A 110 -4.620 -16.802 3.307 1.00 8.32 C ATOM 1668 OG1 THR A 110 -4.721 -17.676 2.176 1.00 8.16 O ATOM 1669 CG2 THR A 110 -5.983 -16.738 4.000 1.00 9.65 C ATOM 0 H THR A 110 -2.371 -16.410 2.242 1.00 6.20 H new ATOM 0 HA THR A 110 -4.869 -15.032 2.136 1.00 7.45 H new ATOM 0 HB THR A 110 -3.895 -17.173 4.032 1.00 8.32 H new ATOM 0 HG1 THR A 110 -4.159 -18.466 2.322 1.00 8.16 H new ATOM 0 HG21 THR A 110 -6.280 -17.739 4.312 1.00 9.65 H new ATOM 0 HG22 THR A 110 -5.917 -16.091 4.874 1.00 9.65 H new ATOM 0 HG23 THR A 110 -6.724 -16.338 3.308 1.00 9.65 H new ATOM 1677 N ASN A 111 -2.789 -14.430 4.673 1.00 7.42 N ATOM 1678 CA ASN A 111 -2.537 -13.515 5.804 1.00 8.00 C ATOM 1679 C ASN A 111 -2.379 -12.057 5.317 1.00 7.57 C ATOM 1680 O ASN A 111 -2.213 -11.137 6.127 1.00 8.26 O ATOM 1681 CB ASN A 111 -1.283 -13.946 6.575 1.00 7.98 C ATOM 1682 CG ASN A 111 -1.303 -13.505 8.029 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -0.836 -12.417 8.366 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -1.846 -14.351 8.897 1.00 9.58 N ATOM 0 H ASN A 111 -1.994 -15.015 4.418 1.00 7.42 H new ATOM 0 HA ASN A 111 -3.399 -13.564 6.470 1.00 8.00 H new ATOM 0 HB2 ASN A 111 -1.190 -15.031 6.531 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -0.401 -13.531 6.087 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -1.888 -14.109 9.887 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -2.221 -15.243 8.574 1.00 9.58 H new ATOM 1691 N LEU A 112 -2.445 -11.866 3.988 1.00 6.48 N ATOM 1692 CA LEU A 112 -2.320 -10.571 3.358 1.00 6.02 C ATOM 1693 C LEU A 112 -3.693 -9.877 3.286 1.00 6.50 C ATOM 1694 O LEU A 112 -3.823 -8.708 3.661 1.00 6.87 O ATOM 1695 CB LEU A 112 -1.665 -10.770 1.968 1.00 4.81 C ATOM 1696 CG LEU A 112 -1.773 -9.617 0.962 1.00 4.44 C ATOM 1697 CD1 LEU A 112 -0.636 -9.683 -0.039 1.00 4.55 C ATOM 1698 CD2 LEU A 112 -3.107 -9.687 0.251 1.00 4.77 C ATOM 0 H LEU A 112 -2.589 -12.628 3.325 1.00 6.48 H new ATOM 0 HA LEU A 112 -1.680 -9.910 3.943 1.00 6.02 H new ATOM 0 HB2 LEU A 112 -0.607 -10.984 2.122 1.00 4.81 H new ATOM 0 HB3 LEU A 112 -2.106 -11.656 1.512 1.00 4.81 H new ATOM 0 HG LEU A 112 -1.704 -8.669 1.496 1.00 4.44 H new ATOM 0 HD11 LEU A 112 -0.726 -8.859 -0.746 1.00 4.55 H new ATOM 0 HD12 LEU A 112 0.316 -9.608 0.486 1.00 4.55 H new ATOM 0 HD13 LEU A 112 -0.680 -10.630 -0.578 1.00 4.55 H new ATOM 0 HD21 LEU A 112 -3.182 -8.867 -0.463 1.00 4.77 H new ATOM 0 HD22 LEU A 112 -3.188 -10.637 -0.277 1.00 4.77 H new ATOM 0 HD23 LEU A 112 -3.913 -9.607 0.981 1.00 4.77 H new ATOM 1710 N GLY A 113 -4.701 -10.617 2.801 1.00 6.67 N ATOM 1711 CA GLY A 113 -6.046 -10.078 2.674 1.00 7.40 C ATOM 1712 C GLY A 113 -7.111 -11.051 3.129 1.00 8.34 C ATOM 1713 O GLY A 113 -6.830 -11.990 3.879 1.00 8.64 O ATOM 0 H GLY A 113 -4.603 -11.585 2.494 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -6.123 -9.162 3.260 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -6.228 -9.807 1.634 1.00 7.40 H new ATOM 1717 N GLU A 114 -8.338 -10.811 2.670 1.00 8.94 N ATOM 1718 CA GLU A 114 -9.487 -11.652 3.013 1.00 10.00 C ATOM 1719 C GLU A 114 -10.051 -12.353 1.785 1.00 10.47 C ATOM 1720 O GLU A 114 -10.630 -13.438 1.889 1.00 11.33 O ATOM 1721 CB GLU A 114 -10.588 -10.801 3.645 1.00 10.43 C ATOM 1722 CG GLU A 114 -10.172 -10.095 4.927 1.00 10.39 C ATOM 1723 CD GLU A 114 -11.277 -9.234 5.505 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -11.361 -8.045 5.131 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -12.060 -9.748 6.331 1.00 11.47 O ATOM 0 H GLU A 114 -8.565 -10.032 2.052 1.00 8.94 H new ATOM 0 HA GLU A 114 -9.142 -12.407 3.719 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -10.915 -10.054 2.922 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -11.447 -11.437 3.856 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -9.872 -10.838 5.666 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -9.299 -9.473 4.728 1.00 10.39 H new ATOM 1732 N LYS A 115 -9.870 -11.718 0.626 1.00 10.04 N ATOM 1733 CA LYS A 115 -10.373 -12.243 -0.654 1.00 10.61 C ATOM 1734 C LYS A 115 -9.483 -13.329 -1.239 1.00 10.14 C ATOM 1735 O LYS A 115 -9.968 -14.304 -1.821 1.00 10.70 O ATOM 1736 CB LYS A 115 -10.534 -11.119 -1.687 1.00 11.03 C ATOM 1737 CG LYS A 115 -9.266 -10.282 -1.869 1.00 10.36 C ATOM 1738 CD LYS A 115 -9.489 -8.811 -1.513 1.00 10.71 C ATOM 1739 CE LYS A 115 -9.692 -8.606 -0.013 1.00 10.61 C ATOM 1740 NZ LYS A 115 -8.406 -8.649 0.736 1.00 10.83 N ATOM 0 H LYS A 115 -9.374 -10.830 0.543 1.00 10.04 H new ATOM 0 HA LYS A 115 -11.344 -12.686 -0.432 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -10.816 -11.553 -2.646 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -11.351 -10.467 -1.380 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -8.471 -10.689 -1.244 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -8.928 -10.357 -2.903 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -8.633 -8.224 -1.846 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -10.360 -8.437 -2.051 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -10.179 -7.646 0.159 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -10.361 -9.376 0.371 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -8.596 -8.574 1.756 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -7.920 -9.547 0.540 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -7.803 -7.856 0.436 1.00 10.83 H new ATOM 1754 N LEU A 116 -8.184 -13.135 -1.069 1.00 9.19 N ATOM 1755 CA LEU A 116 -7.178 -14.043 -1.595 1.00 8.69 C ATOM 1756 C LEU A 116 -7.259 -15.435 -0.960 1.00 9.07 C ATOM 1757 O LEU A 116 -7.141 -15.579 0.263 1.00 9.05 O ATOM 1758 CB LEU A 116 -5.789 -13.472 -1.360 1.00 7.40 C ATOM 1759 CG LEU A 116 -5.208 -12.591 -2.478 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -5.772 -11.175 -2.424 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -3.690 -12.560 -2.378 1.00 6.43 C ATOM 0 H LEU A 116 -7.797 -12.340 -0.560 1.00 9.19 H new ATOM 0 HA LEU A 116 -7.372 -14.148 -2.662 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -5.813 -12.885 -0.442 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -5.104 -14.302 -1.190 1.00 7.40 H new ATOM 0 HG LEU A 116 -5.497 -13.025 -3.435 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -5.340 -10.580 -3.229 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -6.855 -11.210 -2.541 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -5.525 -10.721 -1.464 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -3.286 -11.934 -3.173 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -3.397 -12.152 -1.411 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -3.298 -13.572 -2.478 1.00 6.43 H new ATOM 1773 N THR A 117 -7.476 -16.442 -1.800 1.00 9.56 N ATOM 1774 CA THR A 117 -7.570 -17.815 -1.355 1.00 10.01 C ATOM 1775 C THR A 117 -6.370 -18.646 -1.719 1.00 9.24 C ATOM 1776 O THR A 117 -5.364 -18.166 -2.241 1.00 8.29 O ATOM 1777 CB THR A 117 -8.797 -18.545 -1.920 1.00 11.26 C ATOM 1778 OG1 THR A 117 -8.984 -18.226 -3.306 1.00 11.46 O ATOM 1779 CG2 THR A 117 -10.009 -18.166 -1.128 1.00 12.18 C ATOM 0 H THR A 117 -7.591 -16.322 -2.806 1.00 9.56 H new ATOM 0 HA THR A 117 -7.645 -17.722 -0.272 1.00 10.01 H new ATOM 0 HB THR A 117 -8.637 -19.620 -1.842 1.00 11.26 H new ATOM 0 HG1 THR A 117 -9.769 -18.702 -3.648 1.00 11.46 H new ATOM 0 HG21 THR A 117 -10.881 -18.683 -1.528 1.00 12.18 H new ATOM 0 HG22 THR A 117 -9.865 -18.449 -0.085 1.00 12.18 H new ATOM 0 HG23 THR A 117 -10.164 -17.089 -1.193 1.00 12.18 H new ATOM 1787 N ASP A 118 -6.524 -19.916 -1.389 1.00 9.74 N ATOM 1788 CA ASP A 118 -5.560 -20.962 -1.657 1.00 9.28 C ATOM 1789 C ASP A 118 -5.402 -21.212 -3.141 1.00 9.42 C ATOM 1790 O ASP A 118 -4.345 -21.654 -3.597 1.00 8.80 O ATOM 1791 CB ASP A 118 -6.067 -22.210 -0.972 1.00 10.08 C ATOM 1792 CG ASP A 118 -5.613 -22.315 0.471 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -4.691 -23.110 0.747 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -6.181 -21.601 1.325 1.00 9.76 O ATOM 0 H ASP A 118 -7.357 -20.257 -0.909 1.00 9.74 H new ATOM 0 HA ASP A 118 -4.579 -20.669 -1.283 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -7.156 -22.221 -1.007 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -5.722 -23.086 -1.521 1.00 10.08 H new ATOM 1799 N GLU A 119 -6.468 -20.923 -3.884 1.00 10.37 N ATOM 1800 CA GLU A 119 -6.462 -21.065 -5.334 1.00 10.83 C ATOM 1801 C GLU A 119 -5.530 -20.035 -5.949 1.00 10.04 C ATOM 1802 O GLU A 119 -5.075 -20.193 -7.084 1.00 10.27 O ATOM 1803 CB GLU A 119 -7.872 -20.956 -5.923 1.00 12.10 C ATOM 1804 CG GLU A 119 -8.754 -22.163 -5.637 1.00 13.08 C ATOM 1805 CD GLU A 119 -10.141 -22.025 -6.234 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -10.333 -22.446 -7.394 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -11.035 -21.497 -5.540 1.00 14.78 O ATOM 0 H GLU A 119 -7.351 -20.587 -3.500 1.00 10.37 H new ATOM 0 HA GLU A 119 -6.096 -22.062 -5.577 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -8.354 -20.063 -5.524 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -7.795 -20.822 -7.002 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -8.278 -23.059 -6.036 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -8.838 -22.300 -4.559 1.00 13.08 H new ATOM 1814 N GLU A 120 -5.260 -18.973 -5.174 1.00 9.24 N ATOM 1815 CA GLU A 120 -4.300 -17.952 -5.570 1.00 8.40 C ATOM 1816 C GLU A 120 -2.936 -18.620 -5.541 1.00 7.57 C ATOM 1817 O GLU A 120 -2.126 -18.440 -6.440 1.00 7.44 O ATOM 1818 CB GLU A 120 -4.307 -16.743 -4.608 1.00 7.71 C ATOM 1819 CG GLU A 120 -3.644 -15.477 -5.152 1.00 7.14 C ATOM 1820 CD GLU A 120 -4.410 -14.831 -6.296 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -4.047 -15.076 -7.467 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -5.372 -14.084 -6.019 1.00 8.58 O ATOM 0 H GLU A 120 -5.699 -18.806 -4.268 1.00 9.24 H new ATOM 0 HA GLU A 120 -4.553 -17.565 -6.557 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -5.340 -16.511 -4.349 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -3.804 -17.030 -3.685 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -3.540 -14.755 -4.342 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -2.638 -15.722 -5.492 1.00 7.14 H new ATOM 1829 N VAL A 121 -2.721 -19.456 -4.508 1.00 7.19 N ATOM 1830 CA VAL A 121 -1.488 -20.169 -4.354 1.00 6.42 C ATOM 1831 C VAL A 121 -1.365 -21.296 -5.381 1.00 7.15 C ATOM 1832 O VAL A 121 -0.377 -21.357 -6.109 1.00 6.95 O ATOM 1833 CB VAL A 121 -1.365 -20.700 -2.911 1.00 5.97 C ATOM 1834 CG1 VAL A 121 0.053 -21.097 -2.645 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -1.821 -19.650 -1.897 1.00 5.72 C ATOM 0 H VAL A 121 -3.406 -19.639 -3.775 1.00 7.19 H new ATOM 0 HA VAL A 121 -0.662 -19.482 -4.539 1.00 6.42 H new ATOM 0 HB VAL A 121 -2.013 -21.570 -2.803 1.00 5.97 H new ATOM 0 HG11 VAL A 121 0.141 -21.472 -1.625 1.00 5.00 H new ATOM 0 HG12 VAL A 121 0.350 -21.877 -3.346 1.00 5.00 H new ATOM 0 HG13 VAL A 121 0.703 -20.231 -2.770 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -1.723 -20.052 -0.888 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -1.202 -18.758 -1.994 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -2.863 -19.391 -2.085 1.00 5.72 H new ATOM 1845 N ASP A 122 -2.398 -22.138 -5.463 1.00 8.17 N ATOM 1846 CA ASP A 122 -2.434 -23.280 -6.414 1.00 9.00 C ATOM 1847 C ASP A 122 -2.255 -22.813 -7.863 1.00 9.58 C ATOM 1848 O ASP A 122 -1.825 -23.583 -8.726 1.00 10.07 O ATOM 1849 CB ASP A 122 -3.740 -24.068 -6.280 1.00 10.08 C ATOM 1850 CG ASP A 122 -3.870 -24.769 -4.939 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -4.585 -24.242 -4.061 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -3.257 -25.844 -4.769 1.00 9.98 O ATOM 0 H ASP A 122 -3.233 -22.059 -4.882 1.00 8.17 H new ATOM 0 HA ASP A 122 -1.600 -23.934 -6.159 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -4.583 -23.390 -6.414 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -3.796 -24.808 -7.078 1.00 10.08 H new ATOM 1857 N GLU A 123 -2.597 -21.542 -8.103 1.00 9.61 N ATOM 1858 CA GLU A 123 -2.467 -20.916 -9.422 1.00 10.24 C ATOM 1859 C GLU A 123 -0.988 -20.632 -9.737 1.00 9.65 C ATOM 1860 O GLU A 123 -0.564 -20.735 -10.887 1.00 10.36 O ATOM 1861 CB GLU A 123 -3.285 -19.619 -9.480 1.00 10.45 C ATOM 1862 CG GLU A 123 -3.805 -19.277 -10.870 1.00 11.70 C ATOM 1863 CD GLU A 123 -4.620 -17.999 -10.890 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -5.849 -18.075 -10.681 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -4.029 -16.921 -11.114 1.00 12.16 O ATOM 0 H GLU A 123 -2.972 -20.919 -7.388 1.00 9.61 H new ATOM 0 HA GLU A 123 -2.855 -21.604 -10.173 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -4.131 -19.704 -8.798 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -2.667 -18.796 -9.121 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -2.963 -19.177 -11.554 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -4.418 -20.100 -11.237 1.00 11.70 H new ATOM 1872 N MET A 124 -0.232 -20.196 -8.719 1.00 8.45 N ATOM 1873 CA MET A 124 1.204 -19.943 -8.876 1.00 7.91 C ATOM 1874 C MET A 124 2.047 -21.182 -8.597 1.00 7.70 C ATOM 1875 O MET A 124 3.195 -21.267 -9.044 1.00 7.76 O ATOM 1876 CB MET A 124 1.659 -18.781 -7.990 1.00 6.78 C ATOM 1877 CG MET A 124 1.537 -17.415 -8.656 1.00 6.98 C ATOM 1878 SD MET A 124 0.821 -16.164 -7.573 1.00 6.62 S ATOM 1879 CE MET A 124 -0.912 -16.565 -7.735 1.00 7.40 C ATOM 0 H MET A 124 -0.591 -20.012 -7.782 1.00 8.45 H new ATOM 0 HA MET A 124 1.359 -19.671 -9.920 1.00 7.91 H new ATOM 0 HB2 MET A 124 1.069 -18.782 -7.074 1.00 6.78 H new ATOM 0 HB3 MET A 124 2.697 -18.942 -7.700 1.00 6.78 H new ATOM 0 HG2 MET A 124 2.524 -17.085 -8.980 1.00 6.98 H new ATOM 0 HG3 MET A 124 0.922 -17.507 -9.551 1.00 6.98 H new ATOM 0 HE1 MET A 124 -1.410 -15.796 -8.326 1.00 7.40 H new ATOM 0 HE2 MET A 124 -1.017 -17.529 -8.232 1.00 7.40 H new ATOM 0 HE3 MET A 124 -1.368 -16.615 -6.746 1.00 7.40 H new ATOM 1889 N ILE A 125 1.473 -22.138 -7.858 1.00 7.60 N ATOM 1890 CA ILE A 125 2.164 -23.375 -7.497 1.00 7.41 C ATOM 1891 C ILE A 125 2.580 -24.191 -8.712 1.00 8.49 C ATOM 1892 O ILE A 125 3.713 -24.668 -8.779 1.00 8.45 O ATOM 1893 CB ILE A 125 1.339 -24.236 -6.536 1.00 7.24 C ATOM 1894 CG1 ILE A 125 1.207 -23.534 -5.188 1.00 6.16 C ATOM 1895 CG2 ILE A 125 2.028 -25.557 -6.368 1.00 7.27 C ATOM 1896 CD1 ILE A 125 0.151 -24.111 -4.301 1.00 6.48 C ATOM 0 H ILE A 125 0.521 -22.074 -7.496 1.00 7.60 H new ATOM 0 HA ILE A 125 3.073 -23.064 -6.982 1.00 7.41 H new ATOM 0 HB ILE A 125 0.339 -24.391 -6.940 1.00 7.24 H new ATOM 0 HG12 ILE A 125 2.166 -23.580 -4.671 1.00 6.16 H new ATOM 0 HG13 ILE A 125 0.987 -22.480 -5.359 1.00 6.16 H new ATOM 0 HG21 ILE A 125 1.453 -26.183 -5.686 1.00 7.27 H new ATOM 0 HG22 ILE A 125 2.107 -26.052 -7.336 1.00 7.27 H new ATOM 0 HG23 ILE A 125 3.026 -25.397 -5.960 1.00 7.27 H new ATOM 0 HD11 ILE A 125 0.121 -23.557 -3.363 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -0.818 -24.041 -4.795 1.00 6.48 H new ATOM 0 HD13 ILE A 125 0.379 -25.157 -4.097 1.00 6.48 H new ATOM 1908 N ARG A 126 1.630 -24.405 -9.610 1.00 9.53 N ATOM 1909 CA ARG A 126 1.870 -25.117 -10.884 1.00 10.70 C ATOM 1910 C ARG A 126 3.207 -24.698 -11.490 1.00 10.89 C ATOM 1911 O ARG A 126 4.027 -25.538 -11.872 1.00 11.45 O ATOM 1912 CB ARG A 126 0.759 -24.837 -11.907 1.00 11.76 C ATOM 1913 CG ARG A 126 0.263 -23.392 -11.962 1.00 12.03 C ATOM 1914 CD ARG A 126 -1.250 -23.303 -11.869 1.00 12.20 C ATOM 1915 NE ARG A 126 -1.931 -23.915 -13.020 1.00 12.92 N ATOM 1916 CZ ARG A 126 -3.262 -23.980 -13.175 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -4.088 -23.474 -12.260 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -3.767 -24.557 -14.256 1.00 14.26 N ATOM 0 H ARG A 126 0.666 -24.095 -9.488 1.00 9.53 H new ATOM 0 HA ARG A 126 1.881 -26.183 -10.655 1.00 10.70 H new ATOM 0 HB2 ARG A 126 1.122 -25.116 -12.896 1.00 11.76 H new ATOM 0 HB3 ARG A 126 -0.088 -25.485 -11.683 1.00 11.76 H new ATOM 0 HG2 ARG A 126 0.710 -22.825 -11.146 1.00 12.03 H new ATOM 0 HG3 ARG A 126 0.596 -22.930 -12.891 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -1.582 -23.793 -10.954 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -1.543 -22.256 -11.794 1.00 12.20 H new ATOM 0 HE ARG A 126 -1.349 -24.319 -13.754 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -3.711 -23.028 -11.424 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -5.097 -23.533 -12.396 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -3.145 -24.948 -14.963 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -4.778 -24.610 -14.381 1.00 14.26 H new ATOM 1932 N GLU A 127 3.397 -23.373 -11.565 1.00 10.50 N ATOM 1933 CA GLU A 127 4.642 -22.785 -12.072 1.00 10.79 C ATOM 1934 C GLU A 127 5.830 -23.114 -11.154 1.00 10.06 C ATOM 1935 O GLU A 127 6.962 -23.245 -11.627 1.00 10.61 O ATOM 1936 CB GLU A 127 4.496 -21.272 -12.203 1.00 10.70 C ATOM 1937 CG GLU A 127 3.574 -20.827 -13.336 1.00 11.77 C ATOM 1938 CD GLU A 127 4.260 -20.825 -14.692 1.00 12.85 C ATOM 1939 OE1 GLU A 127 4.804 -19.770 -15.080 1.00 13.26 O ATOM 1940 OE2 GLU A 127 4.253 -21.879 -15.362 1.00 13.42 O ATOM 0 H GLU A 127 2.699 -22.686 -11.279 1.00 10.50 H new ATOM 0 HA GLU A 127 4.838 -23.217 -13.053 1.00 10.79 H new ATOM 0 HB2 GLU A 127 4.116 -20.872 -11.263 1.00 10.70 H new ATOM 0 HB3 GLU A 127 5.482 -20.835 -12.360 1.00 10.70 H new ATOM 0 HG2 GLU A 127 2.708 -21.488 -13.374 1.00 11.77 H new ATOM 0 HG3 GLU A 127 3.201 -19.825 -13.122 1.00 11.77 H new ATOM 1947 N ALA A 128 5.559 -23.244 -9.837 1.00 8.89 N ATOM 1948 CA ALA A 128 6.595 -23.582 -8.848 1.00 8.16 C ATOM 1949 C ALA A 128 7.019 -25.055 -8.919 1.00 8.57 C ATOM 1950 O ALA A 128 8.141 -25.398 -8.536 1.00 8.66 O ATOM 1951 CB ALA A 128 6.082 -23.285 -7.459 1.00 6.87 C ATOM 0 H ALA A 128 4.629 -23.119 -9.438 1.00 8.89 H new ATOM 0 HA ALA A 128 7.470 -22.974 -9.078 1.00 8.16 H new ATOM 0 HB1 ALA A 128 6.849 -23.535 -6.726 1.00 6.87 H new ATOM 0 HB2 ALA A 128 5.837 -22.226 -7.380 1.00 6.87 H new ATOM 0 HB3 ALA A 128 5.189 -23.879 -7.266 1.00 6.87 H new ATOM 1957 N ALA A 129 6.091 -25.914 -9.396 1.00 8.95 N ATOM 1958 CA ALA A 129 6.292 -27.379 -9.543 1.00 9.43 C ATOM 1959 C ALA A 129 6.137 -28.102 -8.201 1.00 8.51 C ATOM 1960 O ALA A 129 5.286 -28.985 -8.065 1.00 8.76 O ATOM 1961 CB ALA A 129 7.635 -27.725 -10.200 1.00 10.42 C ATOM 0 H ALA A 129 5.165 -25.607 -9.695 1.00 8.95 H new ATOM 0 HA ALA A 129 5.509 -27.733 -10.213 1.00 9.43 H new ATOM 0 HB1 ALA A 129 7.731 -28.808 -10.283 1.00 10.42 H new ATOM 0 HB2 ALA A 129 7.680 -27.279 -11.194 1.00 10.42 H new ATOM 0 HB3 ALA A 129 8.450 -27.334 -9.590 1.00 10.42 H new ATOM 1967 N ILE A 130 6.967 -27.712 -7.208 1.00 7.54 N ATOM 1968 CA ILE A 130 6.953 -28.277 -5.838 1.00 6.69 C ATOM 1969 C ILE A 130 7.395 -29.755 -5.772 1.00 6.68 C ATOM 1970 O ILE A 130 7.864 -30.214 -4.728 1.00 6.97 O ATOM 1971 CB ILE A 130 5.543 -28.090 -5.188 1.00 5.80 C ATOM 1972 CG1 ILE A 130 5.138 -26.594 -5.115 1.00 5.43 C ATOM 1973 CG2 ILE A 130 5.419 -28.749 -3.806 1.00 6.19 C ATOM 1974 CD1 ILE A 130 6.145 -25.662 -4.451 1.00 4.53 C ATOM 0 H ILE A 130 7.674 -26.988 -7.336 1.00 7.54 H new ATOM 0 HA ILE A 130 7.695 -27.718 -5.267 1.00 6.69 H new ATOM 0 HB ILE A 130 4.847 -28.607 -5.848 1.00 5.80 H new ATOM 0 HG12 ILE A 130 4.956 -26.237 -6.129 1.00 5.43 H new ATOM 0 HG13 ILE A 130 4.193 -26.519 -4.576 1.00 5.43 H new ATOM 0 HG21 ILE A 130 4.417 -28.582 -3.412 1.00 6.19 H new ATOM 0 HG22 ILE A 130 5.599 -29.820 -3.896 1.00 6.19 H new ATOM 0 HG23 ILE A 130 6.153 -28.313 -3.128 1.00 6.19 H new ATOM 0 HD11 ILE A 130 5.757 -24.643 -4.457 1.00 4.53 H new ATOM 0 HD12 ILE A 130 6.313 -25.981 -3.422 1.00 4.53 H new ATOM 0 HD13 ILE A 130 7.087 -25.694 -4.999 1.00 4.53 H new ATOM 1986 N ASP A 131 7.265 -30.474 -6.884 1.00 6.58 N ATOM 1987 CA ASP A 131 7.619 -31.893 -6.954 1.00 6.68 C ATOM 1988 C ASP A 131 9.126 -32.123 -6.866 1.00 6.59 C ATOM 1989 O ASP A 131 9.920 -31.282 -7.297 1.00 6.80 O ATOM 1990 CB ASP A 131 7.066 -32.523 -8.237 1.00 7.70 C ATOM 1991 CG ASP A 131 5.553 -32.649 -8.222 1.00 7.98 C ATOM 1992 OD1 ASP A 131 5.048 -33.689 -7.751 1.00 8.18 O ATOM 1993 OD2 ASP A 131 4.874 -31.706 -8.682 1.00 8.25 O ATOM 0 H ASP A 131 6.912 -30.092 -7.762 1.00 6.58 H new ATOM 0 HA ASP A 131 7.164 -32.375 -6.088 1.00 6.68 H new ATOM 0 HB2 ASP A 131 7.368 -31.919 -9.093 1.00 7.70 H new ATOM 0 HB3 ASP A 131 7.508 -33.510 -8.372 1.00 7.70 H new ATOM 1998 N GLY A 132 9.495 -33.277 -6.301 1.00 6.49 N ATOM 1999 CA GLY A 132 10.894 -33.630 -6.133 1.00 6.52 C ATOM 2000 C GLY A 132 11.374 -33.396 -4.713 1.00 5.87 C ATOM 2001 O GLY A 132 12.078 -34.236 -4.146 1.00 6.01 O ATOM 0 H GLY A 132 8.839 -33.977 -5.955 1.00 6.49 H new ATOM 0 HA2 GLY A 132 11.037 -34.678 -6.396 1.00 6.52 H new ATOM 0 HA3 GLY A 132 11.501 -33.043 -6.822 1.00 6.52 H new ATOM 2005 N ASP A 133 10.987 -32.247 -4.145 1.00 5.34 N ATOM 2006 CA ASP A 133 11.369 -31.877 -2.787 1.00 4.95 C ATOM 2007 C ASP A 133 10.140 -31.823 -1.926 1.00 4.57 C ATOM 2008 O ASP A 133 10.174 -32.114 -0.726 1.00 4.65 O ATOM 2009 CB ASP A 133 11.960 -30.484 -2.770 1.00 4.99 C ATOM 2010 CG ASP A 133 13.146 -30.352 -1.834 1.00 5.63 C ATOM 2011 OD1 ASP A 133 12.935 -29.995 -0.656 1.00 6.07 O ATOM 2012 OD2 ASP A 133 14.285 -30.605 -2.279 1.00 5.97 O ATOM 0 H ASP A 133 10.404 -31.555 -4.615 1.00 5.34 H new ATOM 0 HA ASP A 133 12.089 -32.611 -2.425 1.00 4.95 H new ATOM 0 HB2 ASP A 133 12.270 -30.215 -3.780 1.00 4.99 H new ATOM 0 HB3 ASP A 133 11.189 -29.773 -2.473 1.00 4.99 H new ATOM 2017 N GLY A 134 9.050 -31.439 -2.585 1.00 4.47 N ATOM 2018 CA GLY A 134 7.793 -31.291 -1.935 1.00 4.33 C ATOM 2019 C GLY A 134 7.552 -29.888 -1.377 1.00 3.73 C ATOM 2020 O GLY A 134 6.423 -29.547 -1.014 1.00 3.75 O ATOM 0 H GLY A 134 9.035 -31.227 -3.583 1.00 4.47 H new ATOM 0 HA2 GLY A 134 6.998 -31.533 -2.640 1.00 4.33 H new ATOM 0 HA3 GLY A 134 7.728 -32.013 -1.121 1.00 4.33 H new ATOM 2024 N GLN A 135 8.623 -29.086 -1.312 1.00 3.55 N ATOM 2025 CA GLN A 135 8.567 -27.709 -0.802 1.00 3.33 C ATOM 2026 C GLN A 135 9.015 -26.720 -1.893 1.00 3.69 C ATOM 2027 O GLN A 135 9.067 -27.071 -3.076 1.00 4.33 O ATOM 2028 CB GLN A 135 9.474 -27.557 0.424 1.00 3.82 C ATOM 2029 CG GLN A 135 9.181 -28.523 1.567 1.00 4.41 C ATOM 2030 CD GLN A 135 10.360 -28.682 2.509 1.00 5.26 C ATOM 2031 OE1 GLN A 135 11.198 -29.565 2.328 1.00 5.74 O ATOM 2032 NE2 GLN A 135 10.435 -27.823 3.518 1.00 5.78 N ATOM 0 H GLN A 135 9.554 -29.374 -1.612 1.00 3.55 H new ATOM 0 HA GLN A 135 7.538 -27.491 -0.516 1.00 3.33 H new ATOM 0 HB2 GLN A 135 10.509 -27.692 0.110 1.00 3.82 H new ATOM 0 HB3 GLN A 135 9.385 -26.537 0.799 1.00 3.82 H new ATOM 0 HG2 GLN A 135 8.317 -28.166 2.128 1.00 4.41 H new ATOM 0 HG3 GLN A 135 8.914 -29.497 1.156 1.00 4.41 H new ATOM 0 HE21 GLN A 135 9.719 -27.106 3.632 1.00 5.78 H new ATOM 0 HE22 GLN A 135 11.209 -27.880 4.180 1.00 5.78 H new ATOM 2041 N VAL A 136 9.332 -25.483 -1.476 1.00 3.59 N ATOM 2042 CA VAL A 136 9.798 -24.425 -2.372 1.00 4.23 C ATOM 2043 C VAL A 136 10.707 -23.453 -1.613 1.00 4.67 C ATOM 2044 O VAL A 136 11.193 -23.767 -0.525 1.00 4.74 O ATOM 2045 CB VAL A 136 8.588 -23.699 -3.068 1.00 4.02 C ATOM 2046 CG1 VAL A 136 7.854 -22.734 -2.132 1.00 3.51 C ATOM 2047 CG2 VAL A 136 8.997 -23.004 -4.372 1.00 5.08 C ATOM 0 H VAL A 136 9.270 -25.193 -0.500 1.00 3.59 H new ATOM 0 HA VAL A 136 10.391 -24.872 -3.170 1.00 4.23 H new ATOM 0 HB VAL A 136 7.882 -24.488 -3.326 1.00 4.02 H new ATOM 0 HG11 VAL A 136 7.030 -22.263 -2.668 1.00 3.51 H new ATOM 0 HG12 VAL A 136 7.463 -23.284 -1.276 1.00 3.51 H new ATOM 0 HG13 VAL A 136 8.546 -21.967 -1.785 1.00 3.51 H new ATOM 0 HG21 VAL A 136 8.127 -22.518 -4.814 1.00 5.08 H new ATOM 0 HG22 VAL A 136 9.762 -22.257 -4.162 1.00 5.08 H new ATOM 0 HG23 VAL A 136 9.393 -23.742 -5.069 1.00 5.08 H new ATOM 2057 N ASN A 137 10.946 -22.297 -2.214 1.00 5.28 N ATOM 2058 CA ASN A 137 11.788 -21.275 -1.602 1.00 5.95 C ATOM 2059 C ASN A 137 10.935 -20.179 -0.965 1.00 5.49 C ATOM 2060 O ASN A 137 9.711 -20.302 -0.852 1.00 4.60 O ATOM 2061 CB ASN A 137 12.800 -20.668 -2.599 1.00 7.18 C ATOM 2062 CG ASN A 137 13.681 -21.702 -3.290 1.00 7.90 C ATOM 2063 OD1 ASN A 137 13.244 -22.812 -3.601 1.00 8.11 O ATOM 2064 ND2 ASN A 137 14.935 -21.337 -3.531 1.00 8.51 N ATOM 0 H ASN A 137 10.569 -22.041 -3.127 1.00 5.28 H new ATOM 0 HA ASN A 137 12.367 -21.769 -0.821 1.00 5.95 H new ATOM 0 HB2 ASN A 137 12.256 -20.104 -3.357 1.00 7.18 H new ATOM 0 HB3 ASN A 137 13.436 -19.959 -2.070 1.00 7.18 H new ATOM 0 HD21 ASN A 137 15.576 -21.985 -3.989 1.00 8.51 H new ATOM 0 HD22 ASN A 137 15.257 -20.409 -3.258 1.00 8.51 H new ATOM 2071 N TYR A 138 11.613 -19.118 -0.558 1.00 6.22 N ATOM 2072 CA TYR A 138 11.012 -17.976 0.112 1.00 6.03 C ATOM 2073 C TYR A 138 10.835 -16.801 -0.848 1.00 6.55 C ATOM 2074 O TYR A 138 9.795 -16.151 -0.848 1.00 6.13 O ATOM 2075 CB TYR A 138 11.900 -17.563 1.308 1.00 6.78 C ATOM 2076 CG TYR A 138 13.370 -17.743 1.020 1.00 7.93 C ATOM 2077 CD1 TYR A 138 14.259 -16.684 1.045 1.00 8.62 C ATOM 2078 CD2 TYR A 138 13.844 -18.991 0.664 1.00 8.50 C ATOM 2079 CE1 TYR A 138 15.585 -16.876 0.719 1.00 9.65 C ATOM 2080 CE2 TYR A 138 15.136 -19.193 0.345 1.00 9.54 C ATOM 2081 CZ TYR A 138 16.023 -18.137 0.364 1.00 10.06 C ATOM 2082 OH TYR A 138 17.344 -18.341 0.038 1.00 11.13 O ATOM 0 H TYR A 138 12.620 -19.025 -0.687 1.00 6.22 H new ATOM 0 HA TYR A 138 10.023 -18.261 0.470 1.00 6.03 H new ATOM 0 HB2 TYR A 138 11.706 -16.520 1.558 1.00 6.78 H new ATOM 0 HB3 TYR A 138 11.628 -18.156 2.181 1.00 6.78 H new ATOM 0 HD1 TYR A 138 13.912 -15.699 1.322 1.00 8.62 H new ATOM 0 HD2 TYR A 138 13.160 -19.826 0.641 1.00 8.50 H new ATOM 0 HE1 TYR A 138 16.276 -16.046 0.741 1.00 9.65 H new ATOM 0 HE2 TYR A 138 15.478 -20.181 0.074 1.00 9.54 H new ATOM 0 HH TYR A 138 17.484 -19.285 -0.186 1.00 11.13 H new ATOM 2092 N GLU A 139 11.874 -16.544 -1.659 1.00 7.59 N ATOM 2093 CA GLU A 139 11.879 -15.425 -2.616 1.00 8.39 C ATOM 2094 C GLU A 139 11.199 -15.754 -3.953 1.00 8.26 C ATOM 2095 O GLU A 139 10.445 -14.936 -4.484 1.00 8.61 O ATOM 2096 CB GLU A 139 13.317 -14.959 -2.874 1.00 9.64 C ATOM 2097 CG GLU A 139 13.930 -14.181 -1.719 1.00 10.21 C ATOM 2098 CD GLU A 139 15.347 -13.727 -2.008 1.00 11.39 C ATOM 2099 OE1 GLU A 139 15.514 -12.617 -2.555 1.00 11.90 O ATOM 2100 OE2 GLU A 139 16.290 -14.481 -1.687 1.00 11.94 O ATOM 0 H GLU A 139 12.728 -17.101 -1.671 1.00 7.59 H new ATOM 0 HA GLU A 139 11.295 -14.629 -2.154 1.00 8.39 H new ATOM 0 HB2 GLU A 139 13.939 -15.830 -3.083 1.00 9.64 H new ATOM 0 HB3 GLU A 139 13.331 -14.335 -3.768 1.00 9.64 H new ATOM 0 HG2 GLU A 139 13.311 -13.310 -1.503 1.00 10.21 H new ATOM 0 HG3 GLU A 139 13.927 -14.804 -0.824 1.00 10.21 H new ATOM 2107 N GLU A 140 11.467 -16.958 -4.482 1.00 7.94 N ATOM 2108 CA GLU A 140 10.943 -17.398 -5.793 1.00 8.10 C ATOM 2109 C GLU A 140 9.411 -17.479 -5.878 1.00 7.13 C ATOM 2110 O GLU A 140 8.853 -17.292 -6.964 1.00 7.54 O ATOM 2111 CB GLU A 140 11.537 -18.758 -6.173 1.00 8.42 C ATOM 2112 CG GLU A 140 13.009 -18.703 -6.558 1.00 9.47 C ATOM 2113 CD GLU A 140 13.549 -20.053 -6.989 1.00 9.95 C ATOM 2114 OE1 GLU A 140 14.080 -20.783 -6.126 1.00 10.29 O ATOM 2115 OE2 GLU A 140 13.441 -20.380 -8.190 1.00 10.17 O ATOM 0 H GLU A 140 12.050 -17.655 -4.018 1.00 7.94 H new ATOM 0 HA GLU A 140 11.250 -16.623 -6.496 1.00 8.10 H new ATOM 0 HB2 GLU A 140 11.416 -19.443 -5.334 1.00 8.42 H new ATOM 0 HB3 GLU A 140 10.969 -19.171 -7.006 1.00 8.42 H new ATOM 0 HG2 GLU A 140 13.142 -17.987 -7.369 1.00 9.47 H new ATOM 0 HG3 GLU A 140 13.589 -18.337 -5.711 1.00 9.47 H new ATOM 2122 N PHE A 141 8.734 -17.751 -4.755 1.00 5.98 N ATOM 2123 CA PHE A 141 7.278 -17.874 -4.755 1.00 5.06 C ATOM 2124 C PHE A 141 6.546 -16.532 -4.611 1.00 4.76 C ATOM 2125 O PHE A 141 5.417 -16.393 -5.089 1.00 5.06 O ATOM 2126 CB PHE A 141 6.811 -18.894 -3.709 1.00 3.97 C ATOM 2127 CG PHE A 141 5.630 -19.687 -4.178 1.00 3.73 C ATOM 2128 CD1 PHE A 141 5.737 -21.033 -4.514 1.00 3.83 C ATOM 2129 CD2 PHE A 141 4.411 -19.063 -4.299 1.00 4.10 C ATOM 2130 CE1 PHE A 141 4.622 -21.730 -4.967 1.00 4.24 C ATOM 2131 CE2 PHE A 141 3.308 -19.742 -4.742 1.00 4.47 C ATOM 2132 CZ PHE A 141 3.415 -21.070 -5.076 1.00 4.52 C ATOM 0 H PHE A 141 9.171 -17.888 -3.843 1.00 5.98 H new ATOM 0 HA PHE A 141 7.004 -18.247 -5.742 1.00 5.06 H new ATOM 0 HB2 PHE A 141 7.631 -19.572 -3.474 1.00 3.97 H new ATOM 0 HB3 PHE A 141 6.554 -18.374 -2.787 1.00 3.97 H new ATOM 0 HD1 PHE A 141 6.688 -21.537 -4.423 1.00 3.83 H new ATOM 0 HD2 PHE A 141 4.322 -18.018 -4.040 1.00 4.10 H new ATOM 0 HE1 PHE A 141 4.700 -22.775 -5.230 1.00 4.24 H new ATOM 0 HE2 PHE A 141 2.358 -19.236 -4.828 1.00 4.47 H new ATOM 0 HZ PHE A 141 2.545 -21.604 -5.428 1.00 4.52 H new ATOM 2142 N VAL A 142 7.192 -15.554 -3.981 1.00 4.40 N ATOM 2143 CA VAL A 142 6.608 -14.197 -3.811 1.00 4.15 C ATOM 2144 C VAL A 142 6.876 -13.398 -5.061 1.00 5.25 C ATOM 2145 O VAL A 142 6.079 -12.558 -5.478 1.00 5.25 O ATOM 2146 CB VAL A 142 7.177 -13.423 -2.608 1.00 4.09 C ATOM 2147 CG1 VAL A 142 6.138 -12.488 -2.014 1.00 3.37 C ATOM 2148 CG2 VAL A 142 7.672 -14.386 -1.578 1.00 3.96 C ATOM 0 H VAL A 142 8.121 -15.661 -3.574 1.00 4.40 H new ATOM 0 HA VAL A 142 5.542 -14.333 -3.627 1.00 4.15 H new ATOM 0 HB VAL A 142 8.010 -12.810 -2.953 1.00 4.09 H new ATOM 0 HG11 VAL A 142 6.570 -11.956 -1.166 1.00 3.37 H new ATOM 0 HG12 VAL A 142 5.820 -11.770 -2.770 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.277 -13.067 -1.679 1.00 3.37 H new ATOM 0 HG21 VAL A 142 8.074 -13.835 -0.728 1.00 3.96 H new ATOM 0 HG22 VAL A 142 6.848 -15.017 -1.244 1.00 3.96 H new ATOM 0 HG23 VAL A 142 8.455 -15.009 -2.009 1.00 3.96 H new ATOM 2158 N GLN A 143 8.047 -13.657 -5.629 1.00 6.26 N ATOM 2159 CA GLN A 143 8.440 -13.048 -6.905 1.00 7.42 C ATOM 2160 C GLN A 143 7.434 -13.446 -7.986 1.00 7.74 C ATOM 2161 O GLN A 143 7.297 -12.768 -9.008 1.00 8.48 O ATOM 2162 CB GLN A 143 9.861 -13.463 -7.308 1.00 8.47 C ATOM 2163 CG GLN A 143 10.961 -12.738 -6.539 1.00 9.24 C ATOM 2164 CD GLN A 143 11.233 -11.340 -7.068 1.00 10.23 C ATOM 2165 OE1 GLN A 143 10.624 -10.366 -6.624 1.00 10.70 O ATOM 2166 NE2 GLN A 143 12.150 -11.237 -8.023 1.00 10.74 N ATOM 0 H GLN A 143 8.745 -14.284 -5.230 1.00 6.26 H new ATOM 0 HA GLN A 143 8.439 -11.964 -6.790 1.00 7.42 H new ATOM 0 HB2 GLN A 143 9.972 -14.536 -7.155 1.00 8.47 H new ATOM 0 HB3 GLN A 143 9.994 -13.277 -8.374 1.00 8.47 H new ATOM 0 HG2 GLN A 143 10.680 -12.674 -5.488 1.00 9.24 H new ATOM 0 HG3 GLN A 143 11.879 -13.324 -6.589 1.00 9.24 H new ATOM 0 HE21 GLN A 143 12.630 -12.071 -8.361 1.00 10.74 H new ATOM 0 HE22 GLN A 143 12.374 -10.324 -8.418 1.00 10.74 H new ATOM 2175 N MET A 144 6.739 -14.567 -7.727 1.00 7.32 N ATOM 2176 CA MET A 144 5.713 -15.080 -8.613 1.00 7.88 C ATOM 2177 C MET A 144 4.377 -14.377 -8.418 1.00 7.37 C ATOM 2178 O MET A 144 3.407 -14.636 -9.141 1.00 8.01 O ATOM 2179 CB MET A 144 5.569 -16.594 -8.459 1.00 8.04 C ATOM 2180 CG MET A 144 6.144 -17.403 -9.618 1.00 9.33 C ATOM 2181 SD MET A 144 5.130 -18.838 -10.023 1.00 9.76 S ATOM 2182 CE MET A 144 3.916 -18.098 -11.116 1.00 9.64 C ATOM 0 H MET A 144 6.883 -15.135 -6.892 1.00 7.32 H new ATOM 0 HA MET A 144 6.034 -14.868 -9.633 1.00 7.88 H new ATOM 0 HB2 MET A 144 6.062 -16.902 -7.537 1.00 8.04 H new ATOM 0 HB3 MET A 144 4.512 -16.837 -8.351 1.00 8.04 H new ATOM 0 HG2 MET A 144 6.231 -16.763 -10.496 1.00 9.33 H new ATOM 0 HG3 MET A 144 7.151 -17.733 -9.363 1.00 9.33 H new ATOM 0 HE1 MET A 144 2.985 -18.662 -11.060 1.00 9.64 H new ATOM 0 HE2 MET A 144 3.735 -17.067 -10.813 1.00 9.64 H new ATOM 0 HE3 MET A 144 4.290 -18.115 -12.140 1.00 9.64 H new ATOM 2192 N MET A 145 4.351 -13.484 -7.441 1.00 6.37 N ATOM 2193 CA MET A 145 3.153 -12.660 -7.174 1.00 5.88 C ATOM 2194 C MET A 145 3.254 -11.430 -8.062 1.00 6.25 C ATOM 2195 O MET A 145 2.250 -10.856 -8.493 1.00 6.33 O ATOM 2196 CB MET A 145 2.965 -12.164 -5.718 1.00 4.66 C ATOM 2197 CG MET A 145 3.441 -13.064 -4.589 1.00 3.68 C ATOM 2198 SD MET A 145 2.914 -14.778 -4.700 1.00 3.52 S ATOM 2199 CE MET A 145 3.425 -15.334 -3.071 1.00 3.45 C ATOM 0 H MET A 145 5.135 -13.302 -6.815 1.00 6.37 H new ATOM 0 HA MET A 145 2.298 -13.307 -7.372 1.00 5.88 H new ATOM 0 HB2 MET A 145 3.480 -11.208 -5.622 1.00 4.66 H new ATOM 0 HB3 MET A 145 1.903 -11.971 -5.566 1.00 4.66 H new ATOM 0 HG2 MET A 145 4.530 -13.037 -4.560 1.00 3.68 H new ATOM 0 HG3 MET A 145 3.086 -12.652 -3.644 1.00 3.68 H new ATOM 0 HE1 MET A 145 3.145 -16.379 -2.939 1.00 3.45 H new ATOM 0 HE2 MET A 145 4.506 -15.233 -2.974 1.00 3.45 H new ATOM 0 HE3 MET A 145 2.934 -14.728 -2.309 1.00 3.45 H new ATOM 2209 N THR A 146 4.514 -11.054 -8.313 1.00 6.65 N ATOM 2210 CA THR A 146 4.866 -9.922 -9.164 1.00 7.20 C ATOM 2211 C THR A 146 4.808 -10.342 -10.643 1.00 8.45 C ATOM 2212 O THR A 146 4.671 -9.494 -11.530 1.00 8.99 O ATOM 2213 CB THR A 146 6.282 -9.389 -8.810 1.00 7.31 C ATOM 2214 OG1 THR A 146 6.424 -9.297 -7.386 1.00 6.44 O ATOM 2215 CG2 THR A 146 6.544 -8.014 -9.422 1.00 7.72 C ATOM 0 H THR A 146 5.324 -11.536 -7.924 1.00 6.65 H new ATOM 0 HA THR A 146 4.148 -9.120 -8.993 1.00 7.20 H new ATOM 0 HB THR A 146 7.006 -10.091 -9.222 1.00 7.31 H new ATOM 0 HG1 THR A 146 7.319 -8.962 -7.167 1.00 6.44 H new ATOM 0 HG21 THR A 146 7.545 -7.679 -9.150 1.00 7.72 H new ATOM 0 HG22 THR A 146 6.466 -8.078 -10.507 1.00 7.72 H new ATOM 0 HG23 THR A 146 5.809 -7.302 -9.046 1.00 7.72 H new ATOM 2223 N ALA A 147 4.917 -11.663 -10.888 1.00 8.92 N ATOM 2224 CA ALA A 147 4.855 -12.218 -12.239 1.00 10.15 C ATOM 2225 C ALA A 147 3.410 -12.531 -12.642 1.00 10.43 C ATOM 2226 O ALA A 147 3.029 -12.333 -13.799 1.00 11.37 O ATOM 2227 CB ALA A 147 5.716 -13.470 -12.336 1.00 10.68 C ATOM 0 H ALA A 147 5.049 -12.362 -10.157 1.00 8.92 H new ATOM 0 HA ALA A 147 5.243 -11.470 -12.930 1.00 10.15 H new ATOM 0 HB1 ALA A 147 5.660 -13.872 -13.347 1.00 10.68 H new ATOM 0 HB2 ALA A 147 6.751 -13.219 -12.102 1.00 10.68 H new ATOM 0 HB3 ALA A 147 5.354 -14.216 -11.628 1.00 10.68 H new ATOM 2233 N LYS A 148 2.614 -13.021 -11.673 1.00 9.72 N ATOM 2234 CA LYS A 148 1.215 -13.360 -11.902 1.00 10.13 C ATOM 2235 C LYS A 148 0.366 -13.003 -10.683 1.00 9.70 C ATOM 2236 O LYS A 148 -0.545 -12.161 -10.826 1.00 9.60 O ATOM 2237 CB LYS A 148 1.045 -14.852 -12.248 1.00 10.60 C ATOM 2238 CG LYS A 148 1.397 -15.205 -13.691 1.00 11.38 C ATOM 2239 CD LYS A 148 2.844 -15.653 -13.827 1.00 11.36 C ATOM 2240 CE LYS A 148 3.193 -15.978 -15.270 1.00 12.34 C ATOM 2241 NZ LYS A 148 4.611 -16.409 -15.416 1.00 12.59 N ATOM 2242 OXT LYS A 148 0.625 -13.559 -9.592 1.00 9.69 O ATOM 0 H LYS A 148 2.930 -13.189 -10.718 1.00 9.72 H new ATOM 0 HA LYS A 148 0.872 -12.774 -12.755 1.00 10.13 H new ATOM 0 HB2 LYS A 148 1.671 -15.442 -11.579 1.00 10.60 H new ATOM 0 HB3 LYS A 148 0.012 -15.142 -12.057 1.00 10.60 H new ATOM 0 HG2 LYS A 148 0.737 -15.998 -14.042 1.00 11.38 H new ATOM 0 HG3 LYS A 148 1.223 -14.339 -14.330 1.00 11.38 H new ATOM 0 HD2 LYS A 148 3.505 -14.868 -13.460 1.00 11.36 H new ATOM 0 HD3 LYS A 148 3.014 -16.531 -13.204 1.00 11.36 H new ATOM 0 HE2 LYS A 148 2.535 -16.767 -15.634 1.00 12.34 H new ATOM 0 HE3 LYS A 148 3.014 -15.101 -15.893 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 4.965 -16.125 -16.352 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 5.188 -15.960 -14.676 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 4.671 -17.443 -15.322 1.00 12.59 H new